smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)c1cccc(OCCOc2ccccc2)c1 14040934 NTDSJDIQAKXHNJ-UHFFFAOYSA-N 482.536 4.651 50 10 JJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 38606621 FOMBUZGDCVMDDF-HZHRSRAPSA-N 464.949 4.938 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@@H]1c1cccc2ccccc12 38688540 CCRDYMHBYAGHCS-SXOMAYOGSA-N 476.488 4.803 50 10 JJGE O=C(NNc1ncnc(Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-])c1ccc(Cl)cc1 40588817 BWKXLXRXBMCNHT-UHFFFAOYSA-N 452.780 4.558 50 10 JJGE CCOc1cc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccccc1F 59921652 GIADRAKUIUDXLW-JFLMPSFJSA-N 452.482 4.585 50 10 JJGE CCOC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 102974670 QNLCERLHROCBNL-GMQRBVGNSA-N 475.339 4.578 50 10 JJGE O=c1[nH]c2cc(Br)c([C@H](Br)c3ccc(Br)s3)cc2[nH]1 109884140 XZRPQYHUFQMERX-NSHDSACASA-N 466.980 4.927 50 10 JJGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1 254416927 MFKBKBBKIOIWTG-UHFFFAOYSA-N 451.567 4.613 50 10 JJGE COC(=O)c1cccc(-n2c(C)cc(C=NNC(=O)Cc3cccc(C(F)(F)F)c3)c2C)c1 254866343 GQSXCEGHUUCWSZ-UHFFFAOYSA-N 457.452 4.592 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cc(F)ccc2F)C1 382709549 WVUUJPDZRNEPHI-WMLDXEAASA-N 457.258 4.752 50 10 JJGE CCn1cc([C@H](Br)c2cc3c(cc2Br)OCC3)nc1Br 698415121 BFHGCXLHSNAHSA-CYBMUJFWSA-N 464.983 4.847 50 10 JJGE Cc1cccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1[N+](=O)[O-] 725422622 HMGKBAAVAFUADE-FUHWJXTLSA-N 480.302 4.690 50 10 JJGE COc1cccc(C(=O)NN=Cc2cc(Br)c(OCc3ccccc3)c(OC)c2)c1 725444811 ZRNOZQYOLHCREL-UHFFFAOYSA-N 469.335 4.809 50 10 JJGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)CC#N)c3C)sc3c2CCCC3)cc1 1083956135 XQJKKGVPGIGZOG-UHFFFAOYSA-N 473.602 4.959 50 10 JJGE Cc1ccc(O)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)c1 1865687338 PADNJEIKRWLIJQ-KRWDZBQOSA-N 460.843 4.836 50 10 JJGE N#C/C(=C\c1cc(Br)c(O)c(Br)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 1872728722 PMMPSWGNDQJROD-XCVCLJGOSA-N 482.084 4.661 50 10 JJGE COc1cc(/C=C(\C#N)c2ncccc2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C)cc1C 1872728947 CVHDPVARNIKWDA-XDHOZWIPSA-N 458.474 4.697 50 10 JJGE C[C@H](Br)[C@H](NC(=O)c1c(Br)cccc1Br)C(F)(F)F 1882652173 NSTLCEMGWUWJQI-CDUCUWFYSA-N 467.905 4.656 50 10 JJGE Cc1cc(C(=O)N[C@H](CCBr)COCc2ccccc2)c(Br)s1 1902797576 DTULBFQCBAIKOO-CQSZACIVSA-N 461.219 4.919 50 10 JJGE CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Br 1984662943 YTFPCNBAGQCDAJ-UHFFFAOYSA-N 461.219 4.945 50 10 JJGE COCc1cc(Br)c([C@H](Br)c2cc(Br)n(C)n2)s1 2033079596 IRUDNBJMZYEQBB-SNVBAGLBSA-N 459.001 4.637 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccccc1 2040991913 WJAMFOFBMMSDLD-UHFFFAOYSA-N 471.520 4.727 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2C[C@H]1CC[C@H]2Br 2088645830 DJPOFMNUTBROCP-HLUHBDAQSA-N 451.984 4.600 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@H]2CC[C@@]1(CBr)C2 2094096836 AQKQQIZMYILWHU-XPTSAGLGSA-N 451.984 4.601 50 10 JJGE O=C(NC[C@H](Br)CC(F)(F)F)c1cccc(Br)c1Br 2119066533 VQSBPKSGUIMXKT-ZCFIWIBFSA-N 467.905 4.657 50 10 JJGE COC(=O)[C@]1(CCCl)C[C@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OCc1ccccc1 2172512340 SVZXCFJDULBKJD-AVRDEDQJSA-N 456.055 4.960 50 10 JJGE Cc1nn(C)c(CN(C)c2cccc(Br)c2CBr)c1Br 2192431516 VENZALWPPWGIID-UHFFFAOYSA-N 466.015 4.785 50 10 JJGE O=C(N[C@H](CCl)[C@H]1CC=CCC1)c1ccc(Br)cc1I 2207264618 HNWLKQPRAZZMNE-IINYFYTJSA-N 468.560 4.747 50 10 JJGE CC(C)(CCl)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1I 2207267171 KCNQEXKEWWWSGT-ZDUSSCGKSA-N 470.576 4.923 50 10 JJGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@@H](Br)CC12CCCC2 2241033018 WDEDFWRWJHKMDT-QMMMGPOBSA-N 463.644 4.635 50 10 JJGE CC(C)CCNC(=O)C(C#N)=C1NC(=NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 2296223242 DBWREDFLGVDLQT-UHFFFAOYSA-N 455.345 4.581 50 10 JJGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(OC)cc2)cc1 2296543553 MCEHLIBRTSLLFG-UHFFFAOYSA-N 480.524 4.912 50 10 JJGE CCOc1c(Br)cc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1OC 2296661418 WLSGTHWXPOYQBC-UHFFFAOYSA-N 464.323 4.560 50 10 JJGE COc1ccc(NC(=O)C(C#N)=Cc2cn(CC(=O)Nc3ccccc3)c3ccccc23)cc1 2297330719 JMVPZSXGRHQUEZ-UHFFFAOYSA-N 450.498 4.834 50 10 JJGE CC(C)(CI)CN=[S@](C)(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 2306820617 GPKMINYNBSVEQI-XMMPIXPASA-N 466.385 4.952 50 10 JJGE CCOc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCC(=O)O 2313544013 YTRSIDIAXYQOSK-UHFFFAOYSA-N 456.296 4.560 50 10 JJGE CCOc1ccc(-n2c(C)cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1 2313566905 DCOULZCSNLHHCV-UHFFFAOYSA-N 454.574 4.749 50 10 JJGE Cc1c(C(=O)Nc2ccccc2)sc2ncn(CC(=O)C(C#N)=C3Nc4ccccc4S3)c(=O)c12 2320729535 CUMZISXHEHGJRS-UHFFFAOYSA-N 499.577 4.541 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OC)c1OCc1ccccc1F 2328821251 TUWOTTAOMJRIMZ-JTSKRJEESA-N 487.572 4.803 50 10 JJGE COc1cccc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1OCc1ccccc1Cl 2328833282 DKMAHTXZLZGFDC-NRFANRHFSA-N 490.000 4.927 50 10 JJGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(NS(C)(=O)=O)cc3)n2)cc1 2331318526 VEXYULREWLHGNU-UHFFFAOYSA-N 455.561 4.920 50 10 JJGE Cn1cnc(Br)c1[C@@H](Br)c1c(F)cc(F)c(Br)c1F 2337318191 XKLCBPIYPWZUDK-QMMMGPOBSA-N 462.889 4.847 50 10 JJGE Clc1ccc(CN2CCC(COCCBr)CC2)c(I)c1 2366715167 OIFJWMJHQGTAEH-UHFFFAOYSA-N 472.592 4.568 50 10 JJGE COc1ccccc1N1CCN(C(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 9944343 ZELBLVLLYSBPKW-HIXSDJFHSA-N 489.579 4.804 50 10 JJGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)COc1ccc(Br)c(C)c1 10683525 PSGZMDWTIYIVQH-QRWLVFNGSA-N 477.399 4.655 50 10 JJGE CCCN(Cc1cc(NC(=O)C(C)(C)CCl)ccc1N(C)C)S(=O)(=O)c1ccc(F)cc1 34921723 VHFNEQYLVSYDAT-UHFFFAOYSA-N 484.037 4.696 50 10 JJGE COc1cc(/C=C(/C#N)c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1ccc(C)cc1 34988296 PXOBDTBSXWLHBT-UYRXBGFRSA-N 466.497 4.734 50 10 JJGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)ccc2OC)c1 38659910 FSYCRGBOBCKQQL-SANMLTNESA-N 486.524 4.930 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1c(F)cccc1Cl 38680344 SVXFDKMICTZYHW-JOCHJYFZSA-N 495.850 4.590 50 10 JJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(N3CCCCC3)o2)sc2c1CCCC2 38704602 NKCCXXWIXASUSZ-PEZBUJJGSA-N 453.564 4.933 50 10 JJGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825864 IHEPPYXDDTZWJB-UXHLAJHPSA-N 473.920 4.907 50 10 JJGE COc1ccc(C(=O)N/N=C/c2ccc(SCC(=O)Nc3ccc4ccccc4c3)o2)cc1 59392305 DBULHYCJOKFMQU-CVKSISIWSA-N 459.527 4.936 50 10 JJGE O=C(N/N=C(/CSc1nc2ccccc2o1)c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 59460605 RMKFYQNMQXSEHK-CLCOLTQESA-N 477.458 4.571 50 10 JJGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242292 FFILJMSOYFUNDK-WTALZMIHSA-N 493.972 4.684 50 10 JJGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C1=O 101335631 UWMWMDXYKFFZQV-HZHRSRAPSA-N 492.535 4.914 50 10 JJGE Cn1c(=O)n(C)c2cc([C@@H](Br)c3ccc(Br)s3)c(Br)cc21 109883581 WGMKOKGDELJFOK-CYBMUJFWSA-N 495.034 4.948 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CCCC[C@@H]1CCBr 161196319 GNPAPRUYTAXUJY-LLVKDONJSA-N 454.000 4.991 50 10 JJGE CN(C(=O)c1cc(I)ccc1Br)[C@H]1CCCC[C@H]1Cl 234318613 JMTWWVKBTNGYBW-OLZOCXBDSA-N 456.549 4.676 50 10 JJGE Cc1ccc(N(CC(=O)NN=Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)cc1 252607000 GXILSPSIJROIHD-UHFFFAOYSA-N 476.385 4.647 50 10 JJGE 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@]21OCO[C@@]12COCO2 254826767 KZKVGEIAXRKFFJ-VHCPQLMKSA-N 476.686 4.792 50 10 JJGE O=S(=O)(NC[C@@H](Br)C1CCC1)c1c(Cl)cc(Br)cc1Cl 315541676 LQZWHCUEFQRUFE-SECBINFHSA-N 466.022 4.598 50 10 JJGE CCCCN(CCBr)c1ncc(C(F)(F)F)cc1I 686115583 VHFCDABAZLRXSS-UHFFFAOYSA-N 451.068 4.706 50 10 JJGE Cc1ccc(Cc2nnc(NC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)s2)cc1 731024706 FZCNGOFDIKLSCF-RCCKNPSSSA-N 479.569 4.760 50 10 JJGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2[N+](=O)[O-])c1 1865709747 GAHRAKKWVDBVBW-SFHVURJKSA-N 469.423 4.693 50 10 JJGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cccc(I)c1 1914211492 CKNZYAISTLAKBY-ZDUSSCGKSA-N 458.137 4.717 50 10 JJGE O=S(=O)(CCCOCc1ccccc1)N(Cc1ccccc1)C1(CBr)CCC1 1915755805 RODMKLAOVJAXSR-UHFFFAOYSA-N 466.441 4.743 50 10 JJGE O=S1(=O)CCC[C@H]([C@H](Br)c2cc(Br)c(Br)s2)C1 1942228093 SCNJRWFTUDCXFP-RCOVLWMOSA-N 467.042 4.534 50 10 JJGE CN(C[C@H]1C[C@@H]1Br)C(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2020201238 PYYWEUSIBDGCIT-MFKMUULPSA-N 462.182 4.652 50 10 JJGE O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N(CCBr)Cc1ccccc1 2034981386 XZWIZDXYISTVST-UHFFFAOYSA-N 456.711 4.945 50 10 JJGE O=C(NC[C@@H](CBr)C1CCC1)c1ccc(Br)cc1Br 2089960197 FMLRGOOQWZCWQE-SNVBAGLBSA-N 454.000 4.753 50 10 JJGE CC1(C)[C@@H](CCl)CCN1C(=O)c1ccc(I)c(Br)c1 2095200704 VLRGXGMDLXJSDY-SNVBAGLBSA-N 456.549 4.533 50 10 JJGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1CC1(CBr)CCOCC1 2106707805 SCYYLYJBLQGEOS-SFTDATJTSA-N 467.448 4.690 50 10 JJGE CCC(CC)(CBr)CN=S1(=O)CCC2(CCN2C(=O)OC(C)(C)C)CC1 2106782381 PZQKZDUQGOYHKV-UHFFFAOYSA-N 451.471 4.829 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H](Br)C2(CCCC2)C1 2174366981 ZWSOTMLUUHXWGT-ZDUSSCGKSA-N 466.011 4.991 50 10 JJGE CCOc1ccc(S(=O)(=O)N(Cc2ccccc2)CC2CCC2)cc1CBr 2179829104 XFORYJLHKMVZGT-UHFFFAOYSA-N 452.414 4.971 50 10 JJGE COc1cc([C@@H](Br)c2cc(I)sn2)c(OC)cc1C 2228528299 WCPCUCMHOCYVED-CYBMUJFWSA-N 454.127 4.558 50 10 JJGE Cc1cc(Br)c(CN(C)S(=O)(=O)c2ccsc2CBr)s1 2237711145 BVGCBSZREDOOAJ-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H](Br)CC12CCCC2 2283664445 QUKXKIZRQBZZLN-LLVKDONJSA-N 468.560 4.867 50 10 JJGE COc1ccc2ccccc2c1C=NNC(=O)C(=Cc1ccc(N(C)C)cc1)NC(=O)c1ccccc1 2295489502 WUUYSASENTWASK-UHFFFAOYSA-N 492.579 4.836 50 10 JJGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 2314616497 CBZSNDVQPZGZDH-UHFFFAOYSA-N 453.454 4.690 50 10 JJGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1 2314737644 FZKXYTMVIKDFDQ-UHFFFAOYSA-N 480.546 4.508 50 10 JJGE Cc1ccc(-c2csc3ncn(CC(=O)NN=Cc4ccccc4C(F)(F)F)c(=O)c23)cc1 2318792754 YNFPSLAHEPEPKS-UHFFFAOYSA-N 470.476 4.603 50 10 JJGE COc1ccc(-c2ccc(C(=O)NN=Cc3ccc(Br)cc3F)c(C)n2)cc1OC 2321248632 ZZOPUUQFYNOKRR-UHFFFAOYSA-N 472.314 4.740 50 10 JJGE CCCCCCOc1ccc(C=NNC(=O)CSc2nc3ccccc3n2C)cc1OC 2322915964 DYCHFWMILVYREF-UHFFFAOYSA-N 454.596 4.783 50 10 JJGE CC(C)[C@@H]1C[C@H](Cl)CN1C(=O)c1cc(Br)ccc1I 2344598585 AIHFYIOXJIEJRG-GWCFXTLKSA-N 456.549 4.532 50 10 JJGE COc1cc(/C=C(/C#N)c2nnc3n2CCCCC3)ccc1OC(=O)c1cc(F)c(F)c(F)c1F 35085636 AKUDZRZMNVFVPW-ZROIWOOFSA-N 486.425 4.853 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)c1OC 38658941 NGKVMMUTPJNYFF-SANMLTNESA-N 486.524 4.523 50 10 JJGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cncc(Br)c1)CCC2)c1ccccc1 40823114 WTMKQRXRAIKKKW-ZXVVBBHZSA-N 495.377 4.883 50 10 JJGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(CC)cc1 101241457 GKWBTGKDHJGVMC-GHIWRQRASA-N 451.979 4.631 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H](Cl)C1)c1cc(I)ccc1Br 227745327 JYUNURKERTZHBH-NXEZZACHSA-N 456.549 4.581 50 10 JJGE O=C(NC[C@@H]1CCC[C@H](Cl)C1)c1cc(I)ccc1Br 227745341 JYUNURKERTZHBH-ZJUUUORDSA-N 456.549 4.581 50 10 JJGE O=C(NC[C@@H]1CCC[C@H]1CBr)c1ccc(Br)cc1Br 232480863 LZPLVWVIUZMTGB-UWVGGRQHSA-N 454.000 4.753 50 10 JJGE COc1cc(C=NNC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc(I)c1O 252613127 IYQVPDMRIOLQMI-SJORKVTESA-N 492.357 4.557 50 10 JJGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cccc3ccccc23)cc1 254291369 XSLZUONYBMGFIQ-GMWHZFKLSA-N 462.553 4.827 50 10 JJGE COc1cc(C=NNC(=O)Cc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1C#N 254292537 RMXZRBPGTVAUOV-UHFFFAOYSA-N 467.447 4.857 50 10 JJGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)c3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 254596386 VJXVLVHSQRZLSS-UHFFFAOYSA-N 488.547 4.781 50 10 JJGE CCN(C[C@@](C)(CI)OCc1ccccc1F)C(=O)OC(C)(C)C 303741170 HSBLDEUSAWUNOK-GOSISDBHSA-N 451.320 4.793 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c(C)n1C1CCCCC1 728088583 KKYDGYALYZTNOE-IUOVYFEOSA-N 475.545 4.663 50 10 JJGE Cc1ccc(-c2nnc(-c3ccc(C(=O)NNC(=O)c4ccc(Br)cc4)cc3)o2)cc1 1317721227 GLGUIZWYBDALEM-UHFFFAOYSA-N 477.318 4.549 50 10 JJGE C=CCn1c(SCC(=O)NNc2cccc(F)c2Cl)nnc1-c1ccc(Cl)cc1 1453848226 SPRLCPPAXKTVGW-UHFFFAOYSA-N 452.342 4.812 50 10 JJGE CCOc1cc(C=NNC(=O)COc2ccc(Cl)cc2C)ccc1OC(=O)c1ccccc1 1772719593 CDUFAWKYUNKXAT-UHFFFAOYSA-N 466.921 4.795 50 10 JJGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1865700539 WOWLZCIGJZVYFS-OAQYLSRUSA-N 455.905 4.814 50 10 JJGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 1865709478 VVHFZDOMHUGEAV-HSZRJFAPSA-N 450.498 4.593 50 10 JJGE COc1ccc(OCCCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1 1865759464 BKVLONUIKBEFDA-UHFFFAOYSA-N 488.371 4.993 50 10 JJGE CSCC[C@H](NC(=O)[C@@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866703238 QZAXEYZDXQKFOC-ZEQRLZLVSA-N 490.654 4.858 50 10 JJGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(OC)cc4)cs3)CC2=O)cc1 1872746038 OOWLLFQRNHPRHT-GOTYSUTNSA-N 489.553 4.841 50 10 JJGE CN(CC1CC(Br)C1)C(=O)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 1893148310 MZLFSRFWQCDVBK-UHFFFAOYSA-N 453.421 4.836 50 10 JJGE CCc1nn(CC)c(CN(C)C[C@@H](Br)COCc2ccccc2)c1Br 1916370498 NKKIAJZLGFRHNT-MRXNPFEDSA-N 473.253 4.640 50 10 JJGE Brc1sc(Br)c([C@H](Br)[C@H]2COCCO2)c1Br 1924579483 GHHRLGSVLWUIEJ-INEUFUBQSA-N 499.844 4.887 50 10 JJGE O=S(=O)(c1cc(CBr)oc1Br)N(Cc1ccccc1)CC1CC1 1984649191 KVKCAEZMCDBYGY-UHFFFAOYSA-N 463.191 4.538 50 10 JJGE C[C@@H](CBr)CCCNC(=O)c1ccc(Br)cc1I 2086147024 HZBGKYGFFKLFSU-SECBINFHSA-N 488.989 4.595 50 10 JJGE CSCC[C@@H](Br)CCNC(=O)c1cc(Br)ccc1Br 2090385566 RLTGFULRXWIGAW-VIFPVBQESA-N 474.056 4.848 50 10 JJGE CN(C(=O)c1c(Br)cccc1Br)[C@H](CCBr)C(F)F 2122009366 QPGMRCAJZZYSIX-SECBINFHSA-N 463.942 4.702 50 10 JJGE O=S1(=O)C[C@@H]2CCC[C@@]2([C@@H](Br)c2sc(Br)cc2Br)C1 2137238259 NDEWZFXGEYPFJP-CQFDHEJISA-N 493.080 4.924 50 10 JJGE C[C@H]1CCCN(CCCCCI)[C@H]1CCCNC(=O)OC(C)(C)C 2214697438 PYRYYEGXACWONZ-IRXDYDNUSA-N 452.421 4.997 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=CC=Cc3ccccc3OC)n2-c2ccccc2)cc1 2293415046 LQUOIGSDNLFFIK-UHFFFAOYSA-N 499.596 4.859 50 10 JJGE COc1ccc(-n2c(C)cc(C=C(C#N)C(=O)OCC(=O)c3cc(F)ccc3F)c2C)cc1 2297486623 OBPGLRGREWDXRW-UHFFFAOYSA-N 450.441 4.714 50 10 JJGE CCc1nc(C(=O)N[C@@H](CCBr)COCc2ccccc2)c(Br)s1 2303546271 AULMCAKWGJLGMO-ZDUSSCGKSA-N 476.234 4.568 50 10 JJGE Brc1cc(CN2CCC[C@H](Br)CC2)ccc1I 2306219507 MZJUZONWXYCWNI-NSHDSACASA-N 472.990 4.803 50 10 JJGE CCCCCCCOc1ccc(C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 2314620925 WFCHEXUSJZXJKT-UHFFFAOYSA-N 482.577 4.590 50 10 JJGE CC(=O)c1cccc(NC(=O)C(C#N)=CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 2325324450 DHJBLAKSHOMENB-UHFFFAOYSA-N 464.569 4.642 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)COc4ccc(Cl)cc43)n2)c(OC)c1 2331386895 ZEJNTYPRSMYTQT-UHFFFAOYSA-N 483.933 4.699 50 10 JJGE FC(F)(F)[C@@H]1C[C@H](Br)CCN1c1ncc(Br)cc1Br 2336401279 ZIDMLOMGCFIIKU-MUWHJKNJSA-N 466.921 4.901 50 10 JJGE CC1(C)CC(CBr)(NC(=O)c2ccc(Cl)cc2I)C1 2340063872 BYGBUPCBFNZLND-UHFFFAOYSA-N 456.549 4.628 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1ccc(Cl)cc1I 2365588772 NRZHUJOAKSFQIT-JDVFRBCBSA-N 468.560 4.627 50 10 JJGE C=CC[C@@]1(CBr)CCN(C(=O)c2ccc(Cl)cc2I)C1 2365593484 UJAGEOMTQXDXBY-HNNXBMFYSA-N 468.560 4.748 50 10 JJGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C)cc1C 14648241 VUMKXDQCMIPNEH-UHFFFAOYSA-N 477.399 4.865 50 10 JJGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccc(C)c(C)c1 14768696 NPTGVCJYKYEORN-VWLOTQADSA-N 473.573 4.694 50 10 JJGE Cc1c(/C=N\NC(=O)c2csc3c2CCCC3)c(=O)n(-c2ccccc2)n1-c1ccccc1 27472281 ZOIHORYYOXIAMO-YUMHPJSZSA-N 456.571 4.641 50 10 JJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)c1 38659717 JAIUBPSCTRZQTG-HSZRJFAPSA-N 462.889 4.795 50 10 JJGE COC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCCC(C)C)c(OC)c2)c(OC)c1 40999862 QMWKQQADZLGYOQ-DYTMQZIQSA-N 479.529 4.827 50 10 JJGE CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc2c(c1)OCCO2 50568377 ZIIKFMZIUZDCHC-UYRXBGFRSA-N 496.523 4.814 50 10 JJGE O=S(=O)(c1ccc(CCCCl)cc1)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 110525217 NHBREHFMXIDZAK-SFHVURJKSA-N 463.962 4.615 50 10 JJGE COc1cc(/C=N\NC(=O)Cc2ccc(O)cc2)ccc1OCc1ccc(Cl)cc1Cl 169901393 UNPJBLBGZQHLPB-ZMFRSBBQSA-N 459.329 4.979 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)c1OC 205648700 ZTDPGTWCARABQS-QSRJBLIVSA-N 454.482 4.541 50 10 JJGE COc1ccc(C(C)=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c(OC)c1 252586470 QFYBZBUZMCUERH-UHFFFAOYSA-N 451.910 4.764 50 10 JJGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2c[nH]c3ccccc23)cc1 252634864 WSGFQNQPVFMIIY-WHSZDHQQSA-N 479.584 4.935 50 10 JJGE Cc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(O)(c3ccccc3)c3ccccc3)cc2)cc1 254560619 ZAYXLUWQHYTETP-UHFFFAOYSA-N 464.521 4.600 50 10 JJGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1OC 254619835 FOYVLWFGEJEEOR-UHFFFAOYSA-N 487.585 4.584 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(O)c(Br)c2)[C@@H](CI)C1 382728187 RYJWEZHEGOFAHW-NWDGAFQWSA-N 482.156 4.540 50 10 JJGE O=C(N[C@H](CCBr)C1CCCC1)c1cccc(F)c1I 725086626 JFUFCDQSHVQDPN-CYBMUJFWSA-N 454.121 4.504 50 10 JJGE O=C([C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCN(C2CCC2)CC1 725238225 FMTOALHTHKKHMH-NRFANRHFSA-N 499.986 4.777 50 10 JJGE Cc1cc(C=NNC(=O)CC(=O)NCCc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 725434130 ZTQHDSBLDADBIR-UHFFFAOYSA-N 471.388 4.600 50 10 JJGE Cc1cc(Br)ccc1OCC(=O)NN=Cc1cccc(OCc2ccccc2)c1 1084023247 LXZNLYLAKQZEKY-UHFFFAOYSA-N 453.336 4.866 50 10 JJGE C=C(Cl)CSc1nc(C)c(CC(=O)NNc2cc(F)ccc2Br)s1 1161988482 SZSXNHXQSZFCLM-UHFFFAOYSA-N 450.786 4.884 50 10 JJGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2)CCC3)cc1 1772743545 FMVCAPSNFLIHRU-UHFFFAOYSA-N 451.910 4.973 50 10 JJGE O=C(COc1ccc(Br)cc1)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 1772752449 NSHBVRZMOFTTKM-UHFFFAOYSA-N 498.764 4.549 50 10 JJGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OC(=O)c1ccccc1 1772760607 YBTSTGKMNJJACG-UHFFFAOYSA-N 477.567 4.767 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865701199 OTSJPRFYLGABJP-XMMPIXPASA-N 494.551 4.842 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1OC 1865707345 UXKNNPSGTHEMQZ-SFHVURJKSA-N 490.869 4.839 50 10 JJGE CC[C@@](C)(NC(=O)C[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866734063 ACONQKGGAUKBOE-HFZDXXHNSA-N 479.602 4.838 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H](Br)C2(CCC2)C1 2046402969 HRIPWKMDMVQVSS-QMMMGPOBSA-N 458.013 4.663 50 10 JJGE O=C(NC[C@@H](CBr)C1CCC1)c1cccc(Br)c1Br 2092328040 IBQAPJDWYUUVBO-SNVBAGLBSA-N 454.000 4.753 50 10 JJGE C[C@@]1(CBr)CCCCN1C(=O)c1cccc(Br)c1Br 2092344136 WYSYXMCPZYMIEJ-AWEZNQCLSA-N 454.000 4.991 50 10 JJGE Cc1nn(C)c(Br)c1C[C@H](CBr)c1ccccc1Br 2129307262 HPMMQCCPJFZAIZ-SNVBAGLBSA-N 451.000 4.975 50 10 JJGE C[C@@H](Br)CCc1cn(-c2ccc(Cl)c(I)c2Cl)nn1 2132756827 MFEBPHNEUWFADO-SSDOTTSWSA-N 474.955 4.895 50 10 JJGE C[C@](CI)(OC[C@@H]1C[C@]12CCOC2)c1ccccc1Br 2198370562 QGNXDZYHNLWGDS-MAZHCROVSA-N 451.142 4.543 50 10 JJGE O=S1(=O)CCCC[C@H]1[C@H](Br)c1cc(Br)c(Br)cc1F 2225633821 LMSFIWYCMKNNMR-NWDGAFQWSA-N 479.003 4.754 50 10 JJGE ClC[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncc(I)cc1Br 2231988951 WROMBGQCAAZKSE-XHVZSJERSA-N 455.565 4.825 50 10 JJGE O=S(=O)(Nc1ccc(Br)cc1I)c1ccc(CCl)cc1 2240329080 QTQICUVCTLKJOH-UHFFFAOYSA-N 486.556 4.593 50 10 JJGE C[C@H](Cl)CN(C(=O)c1cc(Br)ccc1I)C1CCC1 2272425679 JYBGFXDTGXQYRD-VIFPVBQESA-N 456.549 4.676 50 10 JJGE C[C@@H](Br)C12CCC(CC1)N2C(=O)c1ccc(Cl)c(I)c1 2283664286 XLHBTPMSHLIECW-IWPPJYEWSA-N 468.560 4.865 50 10 JJGE Fc1ccc(I)c(-n2c(CCl)nc3cc(Br)cnc32)c1 2287300268 IGVUAETZLLDQPG-UHFFFAOYSA-N 466.479 4.666 50 10 JJGE N#CC(C(=O)Nc1ccccc1)=C1S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 2293038937 JXNAROPEQRYAJU-JOCHJYFZSA-N 488.500 4.799 50 10 JJGE C[C@H](NC(=O)Cc1cc(Br)cc(Br)c1)[C@H]1CCC[C@H]1Br 2295308856 BNIXIUMARUEYNU-CUOATXAZSA-N 468.027 4.822 50 10 JJGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(C(C)C)cc2)C(=O)N1c1ccc(OC)cc1 2314593029 GFDFCGALUDPWKO-HSZRJFAPSA-N 461.587 4.547 50 10 JJGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 2314611117 QZNJDZQJJXHQQI-GOSISDBHSA-N 478.552 4.863 50 10 JJGE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N(CCc4ccccc4)C(=O)C(C#N)=C3C)o2)cc1 2314617082 QJLPYASEGIOGJF-UHFFFAOYSA-N 480.520 4.958 50 10 JJGE CCOC(=O)c1ccc(NC(=O)C(C#N)=CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2324331941 HYDRLQDTJPBZGD-UHFFFAOYSA-N 494.595 4.616 50 10 JJGE N#CC(=CNc1ccc(F)cc1F)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609635 DOXZXBNZPISLQS-UHFFFAOYSA-N 458.512 4.718 50 10 JJGE CCN(C(=O)c1ccc(Cl)cc1I)[C@H]1CCC[C@@H]1Br 2340058672 PUQLRVOHZSWEMW-AAEUAGOBSA-N 456.549 4.723 50 10 JJGE CCn1cnc(OCc2cc(I)ccc2Br)c1CCl 2341781686 XEQFHBSNQZDNNL-UHFFFAOYSA-N 455.521 4.588 50 10 JJGE COc1cc(-c2cc(C(=O)NN=Cc3cccc([N+](=O)[O-])c3)n[nH]2)ccc1OCc1ccc(C)cc1 2366875 CLWUHMYHJPGBED-UHFFFAOYSA-N 485.500 4.645 50 10 JJGE CCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)CCCC)cc2)cc1Br 14041301 PSOAPJUVVVTTQM-UHFFFAOYSA-N 490.398 4.832 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)N/N=C\C=C\c3ccccc3OC)n2-c2ccccc2)cc1 19849253 LQUOIGSDNLFFIK-BHFAATOSSA-N 499.596 4.859 50 10 JJGE COc1cccc(COc2ccccc2/C=N/NC(=O)COc2ccc(Br)cc2)c1 20274317 HQJWRCKTIHZLPG-AFUMVMLFSA-N 469.335 4.566 50 10 JJGE O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1)c1ccc2c(c1)OCO2 20457934 YQUGKYFQECBMER-OPEKNORGSA-N 471.282 4.660 50 10 JJGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccccc3F)ccc21 38650514 GBRUOEXUXJISPY-CPJLOUKISA-N 474.488 4.815 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@H]1c1cccs1 38656701 RGVPJQJVWFBQRR-LJQANCHMSA-N 453.863 4.747 50 10 JJGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)c1 38701184 PZXUHXIBEKXUAB-VWLOTQADSA-N 480.476 4.629 50 10 JJGE COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc(Br)c1O 40959548 ZJAYRMHWNBEUDA-PVLQNKMRSA-N 469.335 4.748 50 10 JJGE CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3cccc(C(F)(F)F)c3)c2C)cc1 59136478 PXNHNXGEUJLOJG-WKULSOCRSA-N 471.479 4.982 50 10 JJGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242303 HGKPLHCEMMOALE-JSIHEXFSSA-N 493.972 4.684 50 10 JJGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)CCc2ccc(OCC)c(OC)c2)c(OCC)c1 207168502 WVOHBDXWFDONPN-ZHZULCJRSA-N 467.518 4.501 50 10 JJGE O=C(N[C@H](CCl)c1ccccc1)c1cc(Br)ccc1I 236038918 YPFBUCOBEUGGRM-CQSZACIVSA-N 464.528 4.764 50 10 JJGE CC(=NNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1)c1cccc(Br)c1 252627607 RXTAQVIXFUPAJR-ILOYKCLFSA-N 462.347 4.760 50 10 JJGE Brc1cc([C@H]2CC[C@H](CI)O2)sc1Br 306203745 MWOSPRNIOVWXLQ-IYSWYEEDSA-N 451.949 4.928 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(I)cc2)[C@@H](CBr)C1 382699245 WGHPGMHWRSJOSC-GXTWGEPZSA-N 466.157 4.637 50 10 JJGE O=C(CBr)c1c(C(F)(F)F)ccc(C(F)(F)F)c1I 575381834 WORDWJNVFIEOEC-UHFFFAOYSA-N 460.937 4.906 50 10 JJGE C[C@H]1CCCN(C(=O)c2ccc(Br)cc2Br)[C@H]1CBr 688677407 ASDKXVAWHFQGSP-ZANVPECISA-N 454.000 4.847 50 10 JJGE Cn1cc(CC(CBr)(CBr)c2ccc(F)cc2)c(Br)n1 714089695 SRUMKXJTJCWTJG-UHFFFAOYSA-N 468.990 4.592 50 10 JJGE CCO[C@@H]1CCC[C@@H](O[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 721652129 IOYYUCDCDNOOTQ-MDZRGWNJSA-N 467.388 4.555 50 10 JJGE CCCNC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 917810795 DQIHDKAQIYQESU-HKWRFOASSA-N 486.963 4.803 50 10 JJGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)NN=Cc1ccc(OCc2ccccc2)cc1 1084038865 YNCHQWIKYVKBMA-UHFFFAOYSA-N 452.436 4.784 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 1084059262 UPRZNHHLRUVRON-OAHLLOKOSA-N 457.361 4.728 50 10 JJGE COc1cc(OC)cc(C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 1084506951 ZRNMUCVEWUYYLA-UHFFFAOYSA-N 454.910 4.709 50 10 JJGE C=C(Cl)CSc1nc(C)c(CC(=O)NNc2cc(Br)ccc2F)s1 1304445983 YKJVSXQNYUMFQS-UHFFFAOYSA-N 450.786 4.884 50 10 JJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)c1 1865692898 PYDBOJBGIJAHAX-SFHVURJKSA-N 490.869 4.839 50 10 JJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)c1 1865693596 XBJPCCWSJOYZBA-QGZVFWFLSA-N 476.842 4.780 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1ccc2c(c1)OCCO2 1865698632 ZBBBMCKBIVLPIB-GOSISDBHSA-N 488.853 4.593 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc(Cl)c1O 1865706808 GAWZBZGCUJBRDC-INIZCTEOSA-N 494.832 4.675 50 10 JJGE C[C@@H]1C[C@H](CBr)CN(C(=O)c2csc(Br)c2Br)C1 2032953925 SPOBAHUFSGBGOR-HTQZYQBOSA-N 460.029 4.766 50 10 JJGE CC1(C)C[C@H](CBr)CN1C(=O)c1cc(Br)c(Br)s1 2064377416 WODWEYBKEOTUTQ-SSDOTTSWSA-N 460.029 4.909 50 10 JJGE Cc1cnc(-n2nc(CBr)c(I)c2C(F)(F)F)cc1C1CC1 2078923758 JJZDTRSPTXVWMW-UHFFFAOYSA-N 486.073 4.971 50 10 JJGE CC(C)c1cc(-n2nc(CBr)c(I)c2C(F)(F)F)ccn1 2078927782 SUWQTPAOZMYJDF-UHFFFAOYSA-N 474.062 4.909 50 10 JJGE Cn1cc(Br)c(C[C@@H](CBr)Cc2ccc(Br)cc2)n1 2087325522 OWDYCMIREBKKTQ-NSHDSACASA-N 451.000 4.741 50 10 JJGE CC1(C)C[C@H](CCl)CN1C(=O)c1ccc(I)c(Br)c1 2127821043 DSLIRAXPTUQIEV-SECBINFHSA-N 456.549 4.533 50 10 JJGE CC(C)(C)C[C@@H](CCl)NC(=O)c1ccc(Br)cc1I 2142287669 NUMWIFBBXHYZBG-JTQLQIEISA-N 458.565 4.827 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@@H](Br)CC2(CCC2)C1 2151344186 DNLCIUZXYIYWKY-JTQLQIEISA-N 466.011 4.991 50 10 JJGE ClCCc1nc2ncccc2n1-c1ccc(Br)c(I)c1 2175973714 CFUCZUHYKYUYMV-UHFFFAOYSA-N 462.516 4.569 50 10 JJGE CN([C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CCBr)s1 2179820131 USFBOXMRWBRAPI-IEBWSBKVSA-N 472.470 4.690 50 10 JJGE Cc1cc(CN(C)S(=O)(=O)c2cc(CBr)cs2)sc1Br 2202306982 YYAXGUSUTYSKDP-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE Cc1ccc(I)c(C(=O)N[C@@H](CBr)CC2CCCC2)c1 2240912300 HWEPJMBUNJZNPV-CYBMUJFWSA-N 450.158 4.673 50 10 JJGE COCc1csc([C@H](Br)c2ccc(OC)c(I)c2)c1 2269538626 BPAAYKYBZGXDSS-CQSZACIVSA-N 453.139 4.992 50 10 JJGE C[C@H](Cl)CN(C(=O)c1cc(Br)ccc1I)C(C)(C)C 2272449885 DSPTZVVDAOEMJZ-VIFPVBQESA-N 458.565 4.922 50 10 JJGE CC[C@H](C)[C@H](CI)NC(=O)c1ccc(Cl)cc1I 2317769152 RCXRACNGQCQCTM-UFBFGSQYSA-N 491.538 4.524 50 10 JJGE COc1cccc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1OCc1cccc(C)c1 2328804125 PNHXIMPTRTWNFG-UHFFFAOYSA-N 486.524 4.527 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)cc1F 2331337460 AWONAHCIJFJXKL-UHFFFAOYSA-N 457.439 4.833 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)Cc3ccccc3[N+](=O)[O-])n2)c(OC)c1OC 2331411728 GQQXOKXICYZVGK-UHFFFAOYSA-N 453.476 4.779 50 10 JJGE COc1cc(F)c(Br)cc1[C@@H](Br)c1c(Br)ncn1C 2337273692 VVUYPRVXQSRKGL-SNVBAGLBSA-N 456.935 4.577 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N(C)[C@@H](CBr)C(C)C)cc1Br 2367082853 MSYJRFISKYZMAZ-LBPRGKRZSA-N 492.071 4.560 50 10 JJGE CN(N/C(=C\C#N)NC(=O)Nc1cccc(C(F)(F)F)c1)c1ncc(C(F)(F)F)cc1Cl 3134981 MRGVMMIIUPDEQN-RZNTYIFUSA-N 478.784 4.900 50 10 JJGE CC(C)COc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14030360 YIHHFJYIQOKROP-UHFFFAOYSA-N 477.399 4.621 50 10 JJGE O=C(N/N=C/c1cc([N+](=O)[O-])ccc1OCc1cccc(F)c1)c1cc2ccccc2cc1O 20534093 IKWITXANECDVSN-MZJWZYIUSA-N 459.433 4.936 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1ccccc1Br 38678659 WGEGKMOQVSUVFT-NRFANRHFSA-N 492.285 4.795 50 10 JJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cc(C)ccc2C(C)C)c(OCC)c1 40867264 KWYAXCCKEJEJGX-DEDYPNTBSA-N 451.519 4.972 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCCC)c(OC)c2)cc1 207106876 PHWQWESBVHAGBC-IGUHNSGRSA-N 462.546 4.926 50 10 JJGE COc1cc(F)c([C@@H](Br)c2sccc2I)cc1OC 311866268 KXTVQKZHHNHBEH-GFCCVEGCSA-N 457.102 4.993 50 10 JJGE CCOc1ccc([C@H](Br)c2cnn(C)c2Br)c(Br)c1 381883244 IDVGOQYMNYGMKM-LBPRGKRZSA-N 452.972 4.828 50 10 JJGE CNc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1 382723938 PAHSBERNBMRVTE-IEBWSBKVSA-N 450.320 4.516 50 10 JJGE CC[C@H](Br)CCCNS(=O)(=O)c1cc(Br)c(C)cc1Br 398593470 VZDOUKJIVBWQQH-JTQLQIEISA-N 492.071 4.752 50 10 JJGE O=C(NC1CCC(CBr)CC1)c1scc(Br)c1Br 705407264 AMQPRTNUHUKYRC-UHFFFAOYSA-N 460.029 4.957 50 10 JJGE Cn1cc(C[C@H](CBr)Cc2cccc(Br)c2)c(Br)n1 714084366 AAUJNBXPHYJUIT-LLVKDONJSA-N 451.000 4.741 50 10 JJGE CN(C[C@@H]1CCC[C@H]1Cl)C(=O)c1ccc(I)c(Br)c1 721510429 NTMRFTLFTXPZSZ-CMPLNLGQSA-N 456.549 4.533 50 10 JJGE Cc1cc(NC(=O)NN=Cc2cc(Br)c(N3CCCC3)o2)ccc1Br 1084329092 GGPGHJIHUSOSBT-UHFFFAOYSA-N 470.165 4.869 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)ccc1O 1865680957 BCPGHBKVHLSKAP-HXUWFJFHSA-N 481.350 4.520 50 10 JJGE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2Cl)cc1 1865704163 OZQJNBNKPRQVGD-QGZVFWFLSA-N 460.843 4.889 50 10 JJGE Cc1cccc(C)c1OCC(=O)NNC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C 1865759381 XKSRZXUGRIYWEQ-UHFFFAOYSA-N 458.345 4.821 50 10 JJGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OCc2ccc(C)cc2)c1 1873794996 MQKHIXVNWIPULM-SYOQMXFQSA-N 471.623 4.671 50 10 JJGE Brc1cc(Br)c(OC[C@H]2C[C@H]2Br)c(CNC2CC2)c1 1887832691 ITIRAKSRIASGDK-BXKDBHETSA-N 454.000 4.626 50 10 JJGE O=C(c1sccc1I)N1CC2(CCCC2)C[C@H]1CBr 1912766962 ZEPSCVVTOJVWDH-JTQLQIEISA-N 454.171 4.523 50 10 JJGE CCn1cc(Br)c([C@H](Br)c2cc(Br)c(OC)s2)n1 2060856722 VHWQIZWPHHILRU-SECBINFHSA-N 459.001 4.982 50 10 JJGE CN(C(=O)c1cc(Br)ccc1Br)[C@H](CCBr)C(F)F 2121995648 OAIZWARRXAETFU-SNVBAGLBSA-N 463.942 4.702 50 10 JJGE C[C@H]1CN(Cc2ccc(Br)cc2Br)C[C@H](CCBr)O1 2122795458 WNOGYQWEOGHHHH-GWCFXTLKSA-N 456.016 4.586 50 10 JJGE C[C@@H](Br)C[C@@H]1COCCN1Cc1cccc(Br)c1Br 2128859856 RSGGCLVQDPDNMC-ZYHUDNBSSA-N 456.016 4.586 50 10 JJGE O=S(=O)(N[C@@H](CBr)CC1CC1)c1c(Cl)cc(Br)cc1Cl 2146590496 FQBMQJFZRWOGFK-SECBINFHSA-N 466.022 4.598 50 10 JJGE CC[C@H](Br)[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2170615489 RJTFTFOGPHUQJB-WCBMZHEXSA-N 465.660 4.881 50 10 JJGE Cc1cc(CBr)ccc1S(=O)(=O)N(Cc1ccccc1)CC1CCOCC1 2179786731 FEXRXHROJYYNDR-UHFFFAOYSA-N 452.414 4.507 50 10 JJGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)c(C)cc1C 2179859910 KQHTYJXTCVHRRL-UHFFFAOYSA-N 454.430 4.814 50 10 JJGE C[C@]1(CNC(=O)c2cc(Cl)ccc2I)CCC[C@@H]1Br 2271295689 KHZLZALTUVCMKV-GXTWGEPZSA-N 456.549 4.628 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2CC[C@@]1(CBr)C2 2295307735 OEWVGQVITVVIMW-BONVTDFDSA-N 466.011 4.530 50 10 JJGE CCOC(=O)COc1c(Cl)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1Br 2313568245 QIGFPTKUSOLMKQ-UHFFFAOYSA-N 477.742 4.899 50 10 JJGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(F)c(Br)cc1F 2320361119 LQFOYYSNIHDFFV-CYBMUJFWSA-N 477.143 4.828 50 10 JJGE COc1cc(C(=O)NCC(O)=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)cc(OC)c1OC 2331319319 FWRUMYRTIPNAGK-UHFFFAOYSA-N 479.558 4.675 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1ccc(Cl)cc1I 2365588774 NRZHUJOAKSFQIT-VWBVRBGYSA-N 468.560 4.627 50 10 JJGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccccc2C)c1 39858764 ALNISOZRDQFLKO-HKWRFOASSA-N 450.498 4.958 50 10 JJGE O=C(NNc1ncnc(NCc2ccc(Cl)cc2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40657096 JMINPDYCCCWHRO-UHFFFAOYSA-N 488.935 4.926 50 10 JJGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 58889893 YMBZXPHGTCWZAJ-RJNBOEKGSA-N 497.935 4.800 50 10 JJGE C=CCn1c(SCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)nnc1-c1cccnc1 58987414 UGBCVWZLCMURIJ-JVWAILMASA-N 470.558 4.561 50 10 JJGE Cc1ccccc1SCC(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 59151704 DFOSAXKWJUMLBD-YDZHTSKRSA-N 466.475 4.846 50 10 JJGE COc1ccc([C@H](C(=O)NC2CCCCCC2)N(Cc2ccccc2)C(=O)CCl)cc1OC 97914929 UZOIKDWPJAZLQW-RUZDIDTESA-N 473.013 4.852 50 10 JJGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)C1=O 214223764 VVNAPYNCGGPDJE-HAHDFKILSA-N 496.567 4.949 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CCC[C@@H]1CCCBr 232348210 YKDGGSJKKOCODL-NSHDSACASA-N 456.549 4.724 50 10 JJGE CCN(CC)c1ccc(/C=C2/CCC(C=NNC(=O)c3ccoc3C)=C2N2CCOCC2)cc1 252512768 VKBWPQLSODTUSS-XOCJJCLBSA-N 462.594 4.614 50 10 JJGE CC[C@H]1[C@@H](CBr)CCN1C(=O)c1cc(Br)cc(Br)c1 386343374 XJAFTMPADWJCDW-RNCFNFMXSA-N 454.000 4.847 50 10 JJGE CC(C)(C)[C@H](CBr)NC(=O)c1cc(I)ccc1Br 393967866 HICYRCUNSMYONL-NSHDSACASA-N 488.989 4.593 50 10 JJGE CC(C)(C)N(CCCCl)C(=O)c1ccc(I)c(Br)c1 721511191 SGGTULUHNHSJBD-UHFFFAOYSA-N 458.565 4.923 50 10 JJGE CC[C@H]1[C@H](CCl)CCN1C(=O)c1ccc(I)c(Br)c1 721575718 BQDRHLKWHZZOAK-GWCFXTLKSA-N 456.549 4.533 50 10 JJGE C[C@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(=O)N(C)c1ccccc1 782092058 BREZGLDYBNVCAE-BAOGPQIGSA-N 487.947 4.619 50 10 JJGE CC(=NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1ccc([S@](=N)(=O)O)cc1 916306884 FXTMRZCBHVIWAI-UHFFFAOYSA-N 457.939 4.952 50 10 JJGE CCCCCOc1ccccc1C(=O)NN=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 1084013916 WQSFKOPOTNPZCK-UHFFFAOYSA-N 486.528 4.845 50 10 JJGE CC(=NNC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc(I)cc1 1084060533 FQYVNLLWYKJSST-GFCCVEGCSA-N 458.752 4.966 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cc(C(=O)OC)ccc3C)c2C)cc1 1084235231 SEEQGLFEZWZZOK-AREMUKBSSA-N 491.588 4.552 50 10 JJGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccccc2F)ccc1OCc1ccc(Cl)cc1 1084524031 VKPKLKKOGQWGTE-UHFFFAOYSA-N 469.900 4.546 50 10 JJGE C#C[C@H](NC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(Cl)cc1 1470658807 MPOGUYWFOCGNNH-QFIPXVFZSA-N 454.917 4.874 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc([N+](=O)[O-])c(F)c2)C1 1614632310 HEXHQJMRUVZKTN-CVEARBPZSA-N 484.265 4.521 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CCl)[C@@H](c2cc(Br)cc([N+](=O)[O-])c2)C1 1614642103 LQJNFLNFBRGSBF-CRAIPNDOSA-N 453.720 4.948 50 10 JJGE CCN(CC)c1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)c(O)c1 1614706165 USNKWRPKYPOUCZ-YOEHRIQHSA-N 474.383 4.624 50 10 JJGE COc1cc(C=NNC(=O)CSc2nc3ccccc3o2)ccc1OCc1cccc(C)c1 1772760338 DBZHMKRSMYNFKX-UHFFFAOYSA-N 461.543 4.966 50 10 JJGE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 1865705114 MQQORCRHJIRAGE-AREMUKBSSA-N 476.536 4.986 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705807 GKNHHIYZIJZEIK-MRXNPFEDSA-N 493.804 4.869 50 10 JJGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1 1872749196 GPQNEJSWSADZPJ-VZCXRCSSSA-N 474.498 4.896 50 10 JJGE C[C@@H](Br)C(C)(C)CNC(=O)c1cc(I)ccc1Br 1913837622 IIVTXPLAGLMUFI-MRVPVSSYSA-N 488.989 4.593 50 10 JJGE O=S1(=O)CCCC[C@H]1[C@@H](Br)c1sc(Br)cc1Br 1922935809 SJMSFBNXTXLGDX-IONNQARKSA-N 467.042 4.676 50 10 JJGE C[C@H]1CN(C(=O)c2csc(Br)c2Br)C[C@@]1(C)CBr 2032955633 BZUQODHHVUPIIG-JVXZTZIISA-N 460.029 4.766 50 10 JJGE Cl[C@@H](c1cc(Br)c2c(c1)CCO2)c1cc(I)sn1 2056495028 ZTBMMNHIWGHOBK-NSHDSACASA-N 456.530 4.773 50 10 JJGE CN(C(=O)c1csc(Br)c1Br)[C@H](CCBr)C(F)F 2058238012 WBRPYCCHKXLXGT-ZCFIWIBFSA-N 469.971 4.764 50 10 JJGE O=C(NC[C@H]1C[C@H](Br)C1)c1cc(Cl)cc(Cl)c1I 2076195246 VXRUZXANGDZPAB-LJGSYFOKSA-N 462.940 4.501 50 10 JJGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cc(Br)n(C)n1 2094081859 HYMFAWQJIIXBAP-CYBMUJFWSA-N 452.972 4.746 50 10 JJGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1c(Br)cccc1Br 2104407654 IBIHKJPAWVHWNC-UFGYURQFSA-N 451.984 4.503 50 10 JJGE O=S(=O)(c1ccc(Cl)c(CBr)c1)N1CCC(OCc2ccccc2)CC1 2123210921 RCNLRSSFAJWZBV-UHFFFAOYSA-N 458.805 4.605 50 10 JJGE Cn1nnc(Br)c1CC(CBr)(CBr)c1ccc(Cl)cc1 2145946134 DMZJRHFXIUOVLE-UHFFFAOYSA-N 486.433 4.501 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CC2(CCC2)C[C@@H]1CCl 2151496445 FYNOBRLOWFSUIZ-LLVKDONJSA-N 468.560 4.677 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1[C@H](CBr)C[C@H]2CCC[C@H]21 2164654507 AKZRNEAOQIJYMY-OLUVUFQESA-N 468.560 4.723 50 10 JJGE CN(CC[C@H](Br)c1ccccc1)S(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 2168117191 PVVRYSUEKMHLAR-ACRUOGEOSA-N 452.414 4.522 50 10 JJGE C[C@@]1(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CCC[C@@H]1Br 2182704509 GLAREECHIVTMNS-CMPLNLGQSA-N 466.022 4.740 50 10 JJGE CCOc1cc(CNCCSSCCNC(=O)OC(C)(C)C)cc(Br)c1O 2187812768 YIGLBESQBCFGGB-UHFFFAOYSA-N 481.478 4.549 50 10 JJGE Cn1nc(Br)c([C@@H](Br)c2cc(C3CC3)c(Br)s2)n1 2219796975 WEJGQXOGABVOIJ-QMMMGPOBSA-N 456.001 4.763 50 10 JJGE COc1ccc([C@@H](Cl)c2cnn(C)c2I)c(Br)c1Cl 2268264286 QSHXGMFTSQLRDM-SNVBAGLBSA-N 475.939 4.777 50 10 JJGE CCn1cc([C@@H](Br)c2ccc(OC)c(I)c2)nc1Br 2269556512 PJVPCNJGGUZWTD-LBPRGKRZSA-N 499.972 4.763 50 10 JJGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)NCCc2ccccc2)cc1 2296834916 AHGIQEFSNIYXEF-RUZDIDTESA-N 467.594 4.780 50 10 JJGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(F)cc(Br)c1 2303545382 QNYVSUMFOOIJSY-QGZVFWFLSA-N 459.153 4.688 50 10 JJGE FC(F)(F)C[C@@H](Cl)CNCc1ccc(I)c(Br)c1 2325231230 SXHZBNGGQXSRIS-MRVPVSSYSA-N 456.471 4.703 50 10 JJGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1c(Br)cccc1Br 2330900407 IBIHKJPAWVHWNC-OSTYVCCYSA-N 451.984 4.503 50 10 JJGE CC(C)CN1C[C@H](Br)[C@H](Cc2ccc(Cl)cc2I)C1 2341060693 YINDFKVXQGWHEX-OCCSQVGLSA-N 456.593 4.838 50 10 JJGE CCOC(=O)c1oc2ccc(CC/C(C)=N/NC(=O)c3ccc(OC)c(OC)c3)cc2c1C 9441312 VCKAKDXHEMGBDU-CVKSISIWSA-N 452.507 4.674 50 10 JJGE COc1ccc2nc(N(/N=C/c3ccccc3)C(=O)c3cccc(N4C(=O)CCC4=O)c3)sc2c1 9629012 TYXHFZOSCSXETF-JVWAILMASA-N 484.537 4.639 50 10 JJGE CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)OC)o3)c(OC)c2)cc1 9973078 VIXVVXUMPGBRRT-QGOAFFKASA-N 476.485 4.598 50 10 JJGE CC(C)CCOc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2)cc1Br 14645620 LWSFHWGIOHQCKX-UHFFFAOYSA-N 485.378 4.867 50 10 JJGE COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCCBr 35153104 AMOSJJVEVCUJJI-LDADJPATSA-N 464.406 4.870 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@@H]1c1cccc(Br)c1 38651484 NYHDYHDHNYAXCF-IBGZPJMESA-N 453.317 4.948 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)c1 38687351 WDQLISGQXKQNIA-QHCPKHFHSA-N 462.889 4.795 50 10 JJGE CCc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812179 NQXQAYFJAFZTNJ-NHFJDJAPSA-N 460.490 4.781 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OS(=O)(=O)c1ccccc1 83293387 LYJORNZSRSVFEZ-HKWRFOASSA-N 462.527 4.707 50 10 JJGE Cn1c(=O)n(C)c2cc([C@H](Br)c3ccc(Br)s3)c(Br)cc21 109883579 WGMKOKGDELJFOK-ZDUSSCGKSA-N 495.034 4.948 50 10 JJGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@H]1CSCCS1 229628023 ZKVZJZOJZUFQML-IUCAKERBSA-N 456.777 4.928 50 10 JJGE CC(=NNC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)c1ccc2ccccc2c1O 254382565 DOTKYLKOGUCOSW-OALUTQOASA-N 473.573 4.868 50 10 JJGE O=C(NN=Cc1cccc(OCc2ccccc2)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 254480503 UMAWUCCFHHZAMN-UHFFFAOYSA-N 485.565 4.830 50 10 JJGE N#CC1=NNP(c2ccccc2)(c2ccccc2)(c2ccccc2)OC1=Nc1ccccc1F 263621566 TXBYUBRDNKJBAG-UHFFFAOYSA-N 466.456 4.715 50 10 JJGE O=S(=O)(N[C@@H](CBr)C1CCCCC1)c1cc(Cl)c(Br)s1 385996246 BSMPIDHHSJIYEH-JTQLQIEISA-N 465.660 4.786 50 10 JJGE O=C(c1scc(Br)c1Br)N1CCC[C@H](CBr)CC1 705426877 PBZCWRWZYMHKLH-QMMMGPOBSA-N 460.029 4.910 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 725410879 QFKQHFZUIHFOEX-MOSHPQCFSA-N 475.574 4.887 50 10 JJGE COc1ccc(N2C(=O)CC[C@H](C(=O)NNc3ccc(F)c(F)c3F)[C@@H]2c2ccccc2OC)cc1 728718298 GJRJBJSIZIXTPB-BVZFJXPGSA-N 499.489 4.749 50 10 JJGE O=C(COc1ccc2ccccc2c1Br)NN=Cc1cc(Br)ccc1O 1083934010 TVGMROXSHPRCSA-UHFFFAOYSA-N 478.140 4.600 50 10 JJGE O=[N+]([O-])c1ccc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)c(Cl)c1 1614637181 TWLHKSZZOIRYAY-WMLDXEAASA-N 456.711 4.899 50 10 JJGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)c1 1772746436 FNHSOVDCSMDATM-UHFFFAOYSA-N 481.350 4.777 50 10 JJGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)cc1OC 1865697331 QDOHGZLZAABJIU-DEOSSOPVSA-N 460.534 4.595 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 1865713323 WMDKCRQUEPLAOY-HXUWFJFHSA-N 467.888 4.803 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)Cc1ccc(Br)c(Cl)c1 1884186850 JLLDNXITJXLWDW-NSHDSACASA-N 457.549 4.705 50 10 JJGE C[C@@H]1CC[C@@H](CBr)N(C(=O)c2cc(Br)c(Br)s2)C1 2048054283 YNZZVURTKNHVPN-SFYZADRCSA-N 460.029 4.909 50 10 JJGE O=S1(=O)C[C@@H]2[C@H]([C@H](Br)c3c(Cl)sc(Br)c3Cl)[C@@H]2C1 2054228758 ZLAXYJMGNGEUPT-RULRNXASSA-N 455.020 4.544 50 10 JJGE CN(c1ncc(I)cc1Br)[C@@H]1CCCCC[C@H]1Br 2069528679 LBACBYKTWTUGCW-ZYHUDNBSSA-N 488.005 4.981 50 10 JJGE C[C@H]1CC[C@](CBr)(NC(=O)c2cc(Br)sc2Br)C1 2074212910 REKVDDJWQXOGER-MADCSZMMSA-N 460.029 4.957 50 10 JJGE O=C(N[C@@H]1CCC[C@H]1CCBr)c1ccc(I)c(Cl)c1 2090573185 RYMHFGWFHPAZTN-TVQRCGJNSA-N 456.549 4.628 50 10 JJGE CC[C@H]1[C@H](CBr)CCN1C(=O)c1cccc(Br)c1Br 2092328193 JFDYNPVMORJWBM-CABZTGNLSA-N 454.000 4.847 50 10 JJGE CC1(C)CN(C(=O)c2c(Br)cccc2Br)CC[C@@H]1Br 2094088120 HQNOJAHUSKZZPS-NSHDSACASA-N 454.000 4.847 50 10 JJGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OC[C@@H]1CC(F)(F)C12CCC2 2247315282 BUAJGIGUNFWZOU-SWLSCSKDSA-N 459.315 4.547 50 10 JJGE C[C@H]1CC[C@H](CBr)CN1C(=O)c1ccc(Cl)c(I)c1 2268343317 WUAGHPKBEBSAQQ-VHSXEESVSA-N 456.549 4.580 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H](Br)CC2(CCC2)C1 2283665577 WLPITCZLIZQXBX-LLVKDONJSA-N 468.560 4.724 50 10 JJGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)cc1 2296543527 KCSCEAXFCJWQSW-UHFFFAOYSA-N 472.888 4.694 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1OC 2314610701 LHQYXPAVGZGOQT-UHFFFAOYSA-N 482.540 4.557 50 10 JJGE CCOC(=O)C1CCN(C(=O)C(C#N)=CNc2ccc(-c3nc4ccc(C)cc4s3)cc2)CC1 2324563907 WFEQKCTVAFODPJ-UHFFFAOYSA-N 474.586 4.893 50 10 JJGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCCN1CCOCC1 2331459167 UERPVLZVIGSCJH-UHFFFAOYSA-N 465.550 4.733 50 10 JJGE C[C@H](Br)[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1I 2340058542 RLDQXNUIFBWDMP-ZANVPECISA-N 456.549 4.723 50 10 JJGE CC(C)(C)N(CCCBr)C(=O)c1ccc(Cl)cc1I 2340061285 MGDZJHLZROSQAV-UHFFFAOYSA-N 458.565 4.970 50 10 JJGE Clc1ccc(CN2C[C@H](CBr)C3(CCC3)C2)c(I)c1 2341049459 ZFZSYQFPMBRILE-LBPRGKRZSA-N 454.577 4.942 50 10 JJGE CC(C)C[C@H](CBr)CN=S1(=O)CCC2(CCN2C(=O)OC(C)(C)C)CC1 2353828625 RJEYETKZWQITTI-OARFNQQBSA-N 451.471 4.685 50 10 JJGE CN(CC[C@H](Br)c1cccs1)C(=O)c1ccc(I)cc1 2366217462 MDRUPJPLWCMHBV-ZDUSSCGKSA-N 464.166 4.951 50 10 JJGE C[C@H]1CC2CC(CO[C@@H](CI)c3cccc(Br)c3)(C2)O1 2368113503 MSWCUYSLFRULJD-UUGHVDCASA-N 451.142 4.899 50 10 JJGE C[C@@H]1[C@H](Br)CCN(c2ncc(C(F)(F)F)cc2I)[C@@H]1C 2370660453 JDWHQXNEVJRYCD-QXFUBDJGSA-N 463.079 4.703 50 10 JJGE CCOC(=O)C1=C(C)N=C2SCCCN2[C@@H]1c1cccc(NC(=O)C(C)(C)CCl)c1 16613725 JNBRCTPUJOVENX-GOSISDBHSA-N 450.004 4.577 50 10 JJGE Cc1cc(Oc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])cc(C)c1Cl 40657898 JKVHWWXLFVRCRO-UHFFFAOYSA-N 492.717 4.967 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)nc1 40812947 QMFMHLCSOPFMKQ-WPWMEQJKSA-N 481.350 4.777 50 10 JJGE O=C(O)CC/C(=N/NC(=O)COc1ccc(-c2ccccc2)cc1Br)c1ccccc1 40852297 ISCKRWVXPNHLLU-QLYXXIJNSA-N 481.346 4.880 50 10 JJGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240790 GLWFVBDTJLZWMG-IEQIIXMPSA-N 467.594 4.992 50 10 JJGE CC(C)C[C@H](Br)CNC(=O)c1cc(I)ccc1Br 232639581 DNAJMIKUZUHKSJ-VIFPVBQESA-N 488.989 4.593 50 10 JJGE COc1cc(C[C@@H](Br)c2cc(Br)cc(Br)c2)ncn1 234986070 QPGDLTXYECEJAJ-GFCCVEGCSA-N 450.956 4.689 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)NN=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 254404490 OAGYKJAGWPPAFB-UHFFFAOYSA-N 475.501 4.641 50 10 JJGE C=CCc1cccc(C=NNC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)c1O 254446874 OFGSXGAVMOXQRN-UHFFFAOYSA-N 470.645 4.815 50 10 JJGE O=C(CN1CCOCC1)NN=Cc1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 254696317 MKJACUDOJNEKBV-UHFFFAOYSA-N 464.569 4.594 50 10 JJGE O=C(Nc1ccc(I)cc1Br)[C@@H](Cl)c1ccccc1 311743005 RABYEPVQLLHYGM-ZDUSSCGKSA-N 450.501 4.972 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](c2ccccc2I)[C@@H](CBr)C1 382681623 ANCVKLMVURODSM-AAEUAGOBSA-N 466.157 4.637 50 10 JJGE COc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c(F)c1 382702906 PWFUATKFUSOUHZ-QAPCUYQASA-N 469.294 4.622 50 10 JJGE CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(CCl)sc1Br 389142015 VLHQSJQSOKOLJF-UHFFFAOYSA-N 477.877 4.535 50 10 JJGE FC(F)(F)c1cnc(N(CCCBr)C2CCC2)c(I)c1 686109878 RQZRFHUDKZYDHW-UHFFFAOYSA-N 463.079 4.849 50 10 JJGE CN(C[C@@H]1CCC[C@@H]1Br)C(=O)c1ccc(I)c(Cl)c1 689219583 RFCBIDMKLGUTBZ-QWRGUYRKSA-N 456.549 4.580 50 10 JJGE COCc1cc(Br)c([C@H](Br)c2cn(C)c(Br)n2)s1 710838690 LGEVNVGURQXMRS-SECBINFHSA-N 459.001 4.637 50 10 JJGE CC[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C)c1ccccc1OCC(=O)NC 917729371 FAJGCVLMQRDELI-WZLQQZPBSA-N 488.563 4.533 50 10 JJGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1cccc(Cl)c1 1083983445 WWKGNLABOGBKKZ-UHFFFAOYSA-N 460.553 4.703 50 10 JJGE C#Cc1cccc(NC(=S)NNC(=O)C2(c3ccccc3Br)CCCCC2)c1 1176937910 YMEHRQRYDQEJIA-UHFFFAOYSA-N 456.409 4.650 50 10 JJGE C#Cc1cccc(NC(=S)NNC(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)c1 1303280125 DQTURRKZARTKDH-UHFFFAOYSA-N 457.342 4.793 50 10 JJGE C=C[C@H](COC)NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1C 1435993189 XFXPHIOBGKGXPO-VHEJECIDSA-N 451.876 4.991 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(C(F)(F)F)cc2N)[C@@H](CI)C1 1614642993 PPCRBDBEBSKIDC-GWCFXTLKSA-N 470.273 4.673 50 10 JJGE CCc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc([N+](=O)[O-])c2)CCC3)cc1 1772745599 CAVCCPCEACUDRI-UHFFFAOYSA-N 461.474 4.748 50 10 JJGE COc1cc(C=NNC(=O)COc2cccc(Br)c2)ccc1OCc1ccccc1 1772754853 YNVCXAQRGREGAH-UHFFFAOYSA-N 469.335 4.566 50 10 JJGE Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1 1858684144 FNSREPPQRRDAMR-CQSZACIVSA-N 470.869 4.969 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc1OCC 1865689843 XPHUWGXRVJTTQE-QFIPXVFZSA-N 450.926 4.850 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccncc1 1865702658 YPCJTFYLNREBFG-HNNXBMFYSA-N 466.250 4.870 50 10 JJGE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccccc1OCc1ccccc1Cl 1865703685 ZEDZXWDFTJURNH-QGZVFWFLSA-N 460.843 4.889 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc(OC)c1O 1865714538 MOWUDVHKTSGEBP-HSZRJFAPSA-N 480.524 4.789 50 10 JJGE Cc1sc(Br)cc1C(=O)N[C@@H](CCBr)COCc1ccccc1 1902791876 CSHODRJIARJJQI-AWEZNQCLSA-N 461.219 4.919 50 10 JJGE CN1C(=CC=NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)C(C)(C)c2ccccc21 2040452287 JNFJCQDGQMLXFU-UHFFFAOYSA-N 480.615 4.576 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@@H]2C[C@H](C[C@@H]2Br)C1 2045146294 FOZSYBLZNMTSTP-FJXKBIBVSA-N 458.013 4.519 50 10 JJGE CC[C@H](C)[C@@H](CBr)NC(=O)c1cc(Br)ccc1I 2081243087 UGCXBNNOAOAFKQ-QPUJVOFHSA-N 488.989 4.593 50 10 JJGE ClC[C@@H]1CC2(CCCC2)CN1c1ncc(I)cc1Br 2133382236 SGWGMKCHGCTPIT-NSHDSACASA-N 455.565 4.827 50 10 JJGE Brc1ccc(CN2CCC3(CC2)C[C@@H](Br)CO3)c(Br)c1 2173134925 ZKFHDCKWPLZQJT-CYBMUJFWSA-N 468.027 4.730 50 10 JJGE O=C1Cc2cc([C@@H](Cl)c3ccc(Br)cc3I)ccc2N1 2207270899 FFQXMYWXLDVLSQ-OAHLLOKOSA-N 462.512 4.877 50 10 JJGE C[C@@H](CCCCCI)NC(=O)c1c(F)cccc1I 2267658270 FTOWLSDKBYPLPJ-JTQLQIEISA-N 489.110 4.544 50 10 JJGE Cc1c(Br)ccc([C@@H](Br)[C@H]2C[C@H](S(C)(=O)=O)C2)c1Br 2269776307 NCICDKPXAGLYKZ-RVBZMBCESA-N 475.040 4.779 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OCCOc1ccc(Cl)c(C)c1 2293582712 BGBGJUVHVVWEPA-UHFFFAOYSA-N 466.921 4.931 50 10 JJGE C[C@H](CCBr)CCNCc1ccc(I)c(Br)c1 2306221845 MQUGDULQNCHMRT-SNVBAGLBSA-N 475.006 4.955 50 10 JJGE C[C@H]1CN(Cc2ccc(I)c(Br)c2)C[C@@H]1CBr 2306222632 WUYIRNCJNTVDDW-ONGXEEELSA-N 472.990 4.517 50 10 JJGE CC(C)[C@H](Cl)C(C)(C)NC(=O)c1cc(I)ccc1Br 2340398809 NPHKAWOVPQPXRR-LBPRGKRZSA-N 458.565 4.826 50 10 JJGE Cc1cc(OCC(=O)N/N=C/c2ccccc2OCc2ccccc2)ccc1Br 12484985 KBZSUBUWPNITPD-AFUMVMLFSA-N 453.336 4.866 50 10 JJGE CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OC)cc1OC 40853313 QZPJRLJQSWPKMK-ZNQUXATOSA-N 465.502 4.581 50 10 JJGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc2c(c1)OCO2 58891838 YKXWYBIEMUHKHH-WRIMGEDOSA-N 472.541 4.687 50 10 JJGE Cc1cc(OCC(=O)NN2C(=O)[C@H](Cl)[C@H]2c2ccccc2Cl)nc2cc(Cl)c(F)cc12 98065010 XCJLRNLPCFOKRN-WOJBJXKFSA-N 482.726 4.590 50 10 JJGE O=C(NC[C@@H]1CCCC[C@H]1Br)c1cc(Br)ccc1Br 161221439 KXNHCZGTPFXFRP-JOYOIKCWSA-N 454.000 4.895 50 10 JJGE Cc1ccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)o1 252609559 HUQDYOSXSWDHQF-UHFFFAOYSA-N 470.185 4.777 50 10 JJGE CC(C)(C)C(=O)Nc1ccc(C(=O)NN=Cc2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 252615648 JUFYQVJYWYOYQQ-UHFFFAOYSA-N 488.500 4.563 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N(C)[C@H]2CCCC[C@H]2Cl)cc1Br 252929062 RPATVDLVPOZEJB-OLZOCXBDSA-N 459.631 4.691 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc(OC)c1OC 256017225 QRGLOEYGIYJOTG-UHFFFAOYSA-N 462.546 4.567 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CCC[C@H](CBr)CC1 393453752 AQEVZSLCVXBBPE-JTQLQIEISA-N 456.549 4.582 50 10 JJGE O=S(=O)(c1cc(CCl)sc1Br)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 399738701 WIYFNRIVZSYYRW-CVEARBPZSA-N 489.888 4.677 50 10 JJGE C[C@H]1CC[C@H](CBr)CN1C(=O)c1cc(Br)ccc1Br 688703825 DHPHEKNFGOUWCY-VHSXEESVSA-N 454.000 4.847 50 10 JJGE COc1ccc(N2C(=O)CC[C@@H](C(=O)NNc3ccc(F)c(F)c3F)[C@@H]2c2ccccc2OC)cc1 728718299 GJRJBJSIZIXTPB-CJAUYULYSA-N 499.489 4.749 50 10 JJGE Cc1nc(-c2ccc(CNC(=O)NNC(=O)c3ccc(Br)cc3Cl)cc2)cs1 728955747 BNVAOAQCIRBAOE-UHFFFAOYSA-N 479.787 4.679 50 10 JJGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc2c(c1)OCO2 1083905491 FQIZDSJAMWAHFG-NRFANRHFSA-N 496.947 4.620 50 10 JJGE Cc1c(C=NNC(=O)COc2ccc(Br)cc2Br)c2ccccc2n1C 1084178097 LZTSSVPELWDQAM-UHFFFAOYSA-N 479.172 4.541 50 10 JJGE CC(/C=C\c1ccccc1)=NNC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 1084436981 NTJCPCUCKNVNHC-CSMLVEJASA-N 454.559 4.627 50 10 JJGE CC(=O)c1cccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1O 1636953047 NFUVCGOJPYAURU-ATVHPVEESA-N 459.893 4.571 50 10 JJGE CCCCCCc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc(SC#N)cc3)CC2)cc1 1858627356 VBVWJYNKJYCMJI-UHFFFAOYSA-N 486.663 4.921 50 10 JJGE CCn1nc(C)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 1865704913 HUHYDUIXOFVVBK-OAQYLSRUSA-N 499.354 4.964 50 10 JJGE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705685 BWWYJNMZUQZIJA-LJQANCHMSA-N 456.289 4.673 50 10 JJGE COc1ccc(-c2ccc(C(=O)NNC(=O)C(c3ccccc3)c3ccccc3)c(C)n2)cc1OC 1865758277 SBUHKHYRXWOEMF-UHFFFAOYSA-N 481.552 4.667 50 10 JJGE Cc1ccc(COc2cccc(/C=N/NC(=O)COc3ccc4c(C)cc(=O)oc4c3)c2)cc1 1873792797 MPYKAMPSYCDFMF-RWPZCVJISA-N 456.498 4.518 50 10 JJGE CCN(C[C@](C)(CI)OC[C@@H]1C[C@@H]1C1CCC1)C(=O)OC(C)(C)C 2022600324 XWQSXRZPBXWNCO-FCEWJHQRSA-N 451.389 4.890 50 10 JJGE Brc1cc(Br)c([C@@H](Br)[C@H]2CCn3ncnc3C2)s1 2046632816 FGEMDAYDIQUSGA-WKEGUHRASA-N 456.001 4.563 50 10 JJGE C[C@H](NC(=O)c1cc(Br)c(Br)s1)[C@H]1CCC[C@@H]1Br 2048891009 KKGYHJLNTGLZKO-RNJXMRFFSA-N 460.029 4.955 50 10 JJGE CN([C@@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(CCl)ccc1Br 2100208770 XMTGFXCJKMNCKY-MSOLQXFVSA-N 458.805 4.556 50 10 JJGE O=S(=O)(c1ccc(F)c(CBr)c1)N(CCC(F)(F)F)Cc1ccccc1 2123199702 WIBZAMFIRRIOKR-UHFFFAOYSA-N 454.283 4.864 50 10 JJGE CCn1nccc1CC(CBr)(CBr)c1ccc(Br)cc1 2150669796 AXTBBZLXJUCEDH-UHFFFAOYSA-N 465.027 4.936 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@@H]2CCC[C@H](Br)[C@H]2C1 2150961589 MOCNKZYJLZITPD-DLOVCJGASA-N 466.011 4.847 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@@H](Br)CC2(CCC2)C1 2151347701 PXZYBIMFUCEDME-NSHDSACASA-N 466.011 4.991 50 10 JJGE Cc1cc(CBr)cc(S(=O)(=O)N2CCC[C@@H](OCc3ccccc3)C2)c1C 2186381032 MNSPOBYFTFGHGX-HXUWFJFHSA-N 452.414 4.568 50 10 JJGE CCC[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@@H]1CBr 2205698810 SXSIRAIDFRGNEV-BDAKNGLRSA-N 465.660 4.596 50 10 JJGE C[C@H]1CN(C(=O)c2ccc(Br)cc2I)CC[C@H]1CCCl 2207272269 MWMCNCBVMJSIJT-WDEREUQCSA-N 470.576 4.781 50 10 JJGE CC(C)N(CCCCCI)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2214705663 VHLCPUOKEOFACS-QGZVFWFLSA-N 452.421 4.949 50 10 JJGE O=C(c1cc(I)ccc1Br)N1C[C@H](Br)CCC12CC2 2227504126 DAQVGJNLVSBVKY-SECBINFHSA-N 498.984 4.586 50 10 JJGE C=CC[C@]1(CCl)CCCN1C(=O)c1cc(Br)ccc1I 2287746343 YCYCDHNTFRMNDL-OAHLLOKOSA-N 468.560 4.843 50 10 JJGE BrC[C@@H](COCc1cc(I)ccc1Br)C1CC1 2302645850 DHYGGIOZUKIXAM-NSHDSACASA-N 473.974 4.991 50 10 JJGE CCCCCCN1C(=O)C(=CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(C)=C(C#N)C1=O 2314579167 LHWSUDDWRCUCSM-UHFFFAOYSA-N 450.417 4.699 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2CC[C@H]1C[C@@H]2Br 2315420441 NHSYTOCEVAAUHS-CSMHCCOUSA-N 458.013 4.661 50 10 JJGE CC(C)(CI)CN1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H](C(C)(C)C)C1 2326670821 YKKJZDJWHCNGGK-CVEARBPZSA-N 466.448 4.957 50 10 JJGE CC[C@@]1(C)[C@@H](Br)CCN1C(=O)c1cc(Br)cc(Br)c1 2336763413 BQLHXYYLMCBCKK-JSGCOSHPSA-N 454.000 4.990 50 10 JJGE CC1(C)[C@H](Br)CC[C@H]1NC(=O)c1ccc(Cl)cc1I 2340060553 DJWICRBSAFDEFA-VXGBXAGGSA-N 456.549 4.627 50 10 JJGE CC(C)[C@@H](Br)C(C)(C)CN(C)C(=O)c1sccc1I 2340349668 JVYIWMSCUBRORF-GFCCVEGCSA-N 458.203 4.870 50 10 JJGE O=C(c1c(Br)cccc1Br)N1[C@H]2CCC[C@H]2C[C@@H]1CBr 2354694460 UGQSFTFCAKDYJH-CWSCBRNRSA-N 466.011 4.990 50 10 JJGE Clc1nccc(N2CCOCC23CCN(Cc2ccccc2)CC3)c1CBr 2370831591 PDFJQJIXKOOUKX-UHFFFAOYSA-N 450.808 4.501 50 10 JJGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 2888321 DMJDLZHLYSTYBE-KWLPWJRRSA-N 481.936 4.815 50 10 JJGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1 14661767 NNQLRRXLBBWOIK-UHFFFAOYSA-N 467.610 4.716 50 10 JJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccccc2Br)c(Br)c1 14832333 ITYBCRHRSGIAND-LBPRGKRZSA-N 484.188 4.565 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)cc1 38602889 VCKAROVXKGQDAU-HZHRSRAPSA-N 452.514 4.550 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@H]1c1cccc(F)c1 38678404 WDCBOHDPZASXLS-HSZRJFAPSA-N 450.853 4.682 50 10 JJGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)n1 40825941 ZSKXSBKENFHFOM-NDZAJKAJSA-N 453.502 4.562 50 10 JJGE CCCCCN1C(=O)/C(=N\NC(=O)COc2cccc(Cl)c2)c2cc(Br)ccc21 40846231 OGCRZZLNJXLATJ-QQTULTPQSA-N 478.774 4.539 50 10 JJGE C/C(=N\NC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Br)cc1 58990958 OJLQEMUZCUJVIK-KEBDBYFISA-N 465.354 4.600 50 10 JJGE Cc1ccc(OCC(=O)NNC(=O)C(C)(C)CCCOc2cc(C)ccc2C)c(Br)c1 66201434 WTWOETMODNGVNI-UHFFFAOYSA-N 491.426 4.786 50 10 JJGE COc1cc(/C=N\NC(=O)Cc2ccc(Cl)cc2)cc([N+](=O)[O-])c1OCc1ccccc1 169901863 UMSQVWZEZPKTSP-QFEZKATASA-N 453.882 4.529 50 10 JJGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1cc([N+](=O)[O-])ccc1Cl 217253868 YIOVQLHYBAAWQJ-LUAWRHEFSA-N 482.665 4.619 50 10 JJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(F)cc3)cc2OC)cc1 254569638 VJWPYGANJZREIX-UHFFFAOYSA-N 494.519 4.762 50 10 JJGE N#C/C(=C\c1ccccc1)C(=O)N=C1N=C2C=CC(I)=CN2Cc2ccccc21 254631823 LIMWAYWRTQGEAX-JWOXPMACSA-N 490.304 4.627 50 10 JJGE Cc1cc(C(=O)CCl)c(C)n1-c1cc(I)ccc1Br 305957220 IITBNYJHKIEFPO-UHFFFAOYSA-N 452.517 4.883 50 10 JJGE COc1cccc(F)c1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382684055 GBDFXGIFLVWAOF-CVEARBPZSA-N 469.294 4.622 50 10 JJGE CC1(C)CC[C@@H](CBr)N(C(=O)c2ccc(I)c(Cl)c2)C1 701598130 WQLNNLFGAYEGMD-NSHDSACASA-N 470.576 4.970 50 10 JJGE CO[C@](C)(COCc1ccccc1)Cn1c(CCCl)nc2cc(Br)cnc21 702786003 WSNVRKRGFRXXDF-FQEVSTJZSA-N 452.780 4.597 50 10 JJGE CCCOc1ccc(C=NNC(=O)[C@@H](C)Oc2ccc(Br)cc2)c(OCCC)c1 1083886523 VZTLTBNVALRPPT-MRXNPFEDSA-N 463.372 4.944 50 10 JJGE C#CCN1CCC(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)CC1 1638678756 RONWXTWLPROZAT-XMHGGMMESA-N 455.389 4.522 50 10 JJGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1 1858905723 HKJMNIJKKLKEDJ-UHFFFAOYSA-N 462.487 4.638 50 10 JJGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865695243 ALVIDQPWWISYPP-SFHVURJKSA-N 471.742 4.774 50 10 JJGE CCCNCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@H]1Br 1887833835 ZKDLABALYBATTF-CMPLNLGQSA-N 456.016 4.873 50 10 JJGE O=S1(=O)CC[C@@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 1899880808 BPLSIWJRKMNVQJ-SJORKVTESA-N 460.187 4.651 50 10 JJGE O=S(=O)(c1ccc(F)cc1Br)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915186499 LXWJJYDNXSXFTR-QGZVFWFLSA-N 491.220 4.953 50 10 JJGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)S(=O)(=O)c1cccc(CCl)c1 1977930079 RGGPARSZEUCMSL-UHFFFAOYSA-N 453.004 4.531 50 10 JJGE Clc1ncn(-c2cc(Br)ccc2I)c1CBr 1982516064 BRVQRTHGCUWHCW-UHFFFAOYSA-N 476.337 4.788 50 10 JJGE Fc1cc(Br)cc(N2CC3(CN(Cc4ccccc4)C3)C2)c1CBr 2004048170 ZQCBPXIPSKRGMJ-UHFFFAOYSA-N 454.181 4.805 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@H](Br)C2(CC2)C1 2032260833 XHGUDCJRTZYXHY-SECBINFHSA-N 458.013 4.663 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@@H](Br)C2(CCC2)C1 2046393274 BXLCNYIHNHWPGD-MRVPVSSYSA-N 458.013 4.663 50 10 JJGE O=C(CBr)c1ccc(Br)c(C(F)(F)F)c1I 2054936087 AIJNHSQVNOLTOQ-UHFFFAOYSA-N 471.836 4.650 50 10 JJGE O=C(N[C@@H]1CC[C@@H]2C[C@]21CBr)c1scc(Br)c1Br 2068359536 UQNLVNNELHUNKV-GFJAWQGPSA-N 458.013 4.567 50 10 JJGE Clc1ccc(I)c(CN2C[C@@H]3CCC[C@H](C2)C3Br)c1 2111474481 AMRDJWYQZYOPMQ-YWXMQNBFSA-N 454.577 4.940 50 10 JJGE C[C@H](NC(=O)c1ccc(I)c(Cl)c1)[C@@H]1CCC[C@H]1Br 2111557102 DYCAGVMOSBHAOO-INTQDDNPSA-N 456.549 4.627 50 10 JJGE O=C(N[C@H](CCl)c1ccsc1)c1cc(Br)ccc1I 2119038491 IXKKDHRYTGVOEI-GFCCVEGCSA-N 470.557 4.825 50 10 JJGE CC(C)[C@@H]1[C@H](Br)CCN1C(=O)c1ccc(I)c(Cl)c1 2126102922 VHKCQXNGCQTCSU-ZWNOBZJWSA-N 456.549 4.579 50 10 JJGE Cc1cc([C@H](Br)c2cc(S(C)(=O)=O)cs2)ccc1I 2142118822 OYDTXUSQWBAQHM-ZDUSSCGKSA-N 471.179 4.549 50 10 JJGE Cc1ncn(C)c1CC(CBr)(CBr)c1cccc(Br)c1 2188542456 GWUVPBRGRAVKSJ-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE O=C(N[C@H](CBr)[C@@H]1CC=CCC1)c1cc(Cl)ccc1I 2196151143 NRNHNGLVCHZQAQ-QMTHXVAHSA-N 468.560 4.794 50 10 JJGE CC[C@H](C)N(CCBr)C(=O)Cc1cc(Br)cc(Br)c1 2277914950 IUAFPQFSQJQURP-JTQLQIEISA-N 456.016 4.776 50 10 JJGE CO[C@@H]1CC([C@H](Br)Cc2cc(Br)cc(Br)c2)C[C@H]1OC 2295329725 LZUBKMWKTPYOCN-RBSFLKMASA-N 471.027 4.958 50 10 JJGE N#CC(=Cc1ccc(-c2ccc([S@](=N)(=O)O)cc2)o1)S(=O)(=O)c1ccc(Br)cc1 2296719375 JDVIOQPBRGJDTK-UHFFFAOYSA-N 493.360 4.926 50 10 JJGE NNC(=O)C(=Cc1cc(-c2ccccc2)nn1-c1ccccc1)NC(=O)c1ccc(Cl)cc1Cl 2297312540 DQVNEYSRDNYTKO-UHFFFAOYSA-N 492.366 4.607 50 10 JJGE O=C(N[C@H]1C[C@@H](CBr)C12CCC2)c1scc(Br)c1Br 2351635887 UNDSZJJFUNREHL-CBAPKCEASA-N 472.040 4.957 50 10 JJGE CC(C)(C)c1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 12403519 MTDBVMHZVPCRHE-UHFFFAOYSA-N 461.400 4.884 50 10 JJGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 38681444 ZUEWOEXPUDHJQN-XMMPIXPASA-N 471.469 4.821 50 10 JJGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccccc2C)cc1 39992909 IAAYKCFANZCZEJ-CAPFRKAQSA-N 450.498 4.903 50 10 JJGE CCc1ccccc1Nc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 40587129 GPDNTECKTQMQEQ-UHFFFAOYSA-N 468.517 4.966 50 10 JJGE CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C)c(C)c1 101240746 JSZAXAUDEBWDPQ-WDUNQMNWSA-N 460.386 4.783 50 10 JJGE O=C(NC[C@@H]1CCCC[C@H]1Br)c1cc(Br)c(Br)s1 123234816 NMCHYGIGTFNPGO-JGVFFNPUSA-N 460.029 4.957 50 10 JJGE O=c1[nH]c2ccc([C@@H](Br)c3cc(Br)c(Br)s3)cc2[nH]1 128862065 QUCDYXYLZPJLHI-SNVBAGLBSA-N 466.980 4.927 50 10 JJGE O=S(=O)(N[C@@H](CBr)c1ccccc1)c1cc(Cl)c(Br)s1 136887959 IWPSEALLBMSQFS-JTQLQIEISA-N 459.612 4.579 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CCC[C@@H](CCBr)C1 232455511 FIRHIUIMKTUVMZ-JTQLQIEISA-N 454.000 4.849 50 10 JJGE CC1(CCl)CCN(C(=O)c2cc(Br)ccc2I)CC1 401857331 ZMYRCWOJTQIGHL-UHFFFAOYSA-N 456.549 4.535 50 10 JJGE CC(=NNC(=O)CSCc1cc(C)cc(C)c1)c1cccc(I)c1 1084356919 YLGVSQXSWJSFQZ-UHFFFAOYSA-N 452.361 4.682 50 10 JJGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)c1 1303280590 LLFFPWZMGCHWJA-NRFANRHFSA-N 453.926 4.598 50 10 JJGE O=C(NNc1nc2c(C(F)(F)F)cc(Br)cc2s1)C(Cl)(Cl)Cl 1615892069 IPVWZFSGCPSKIS-UHFFFAOYSA-N 457.486 4.891 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680794 WDNAHDOKUQOBSX-JOCHJYFZSA-N 486.915 4.831 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)cc1O 1865681484 ORBMGHXVSYDSBZ-INIZCTEOSA-N 497.260 4.886 50 10 JJGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCCc2ccccc2)c(OC)c1 1865688711 YVZUGJZZHMYRCJ-XMMPIXPASA-N 458.562 4.704 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)c1 1865712039 OLMDVCDXCBAMBU-QHCPKHFHSA-N 452.489 4.964 50 10 JJGE Cn1nc([C@@H](Cl)c2sc(Cl)cc2I)cc1Br 1901027791 FIGTZRTYBSMSNO-MRVPVSSYSA-N 451.942 4.830 50 10 JJGE Cc1c(Br)sc([C@@H](Br)[C@H]2CCCS(=O)(=O)C2)c1Br 1922929519 JYCCYYKIJYYNJY-CBAPKCEASA-N 481.069 4.842 50 10 JJGE O=S1(=O)CCC([C@@H](Br)c2cc(Br)sc2Br)CC1 1942224967 CPMXONYHKKQSEB-SECBINFHSA-N 467.042 4.534 50 10 JJGE CC(C)(CBr)[C@@H]1CCCN1c1ncc(I)cc1Br 2069536727 ZPJVVYXEFAPJTB-NSHDSACASA-N 488.005 4.839 50 10 JJGE Oc1nc2cc([C@@H](Br)c3sncc3Br)c(Br)cc2[nH]1 2088927190 IZYASZLEKSMCAT-SECBINFHSA-N 467.968 4.734 50 10 JJGE C[C@H]1CN(C(=O)c2cccc(Br)c2Br)C[C@H](C)C1Br 2092332919 LGPWGDQAFFPCOK-IUCAKERBSA-N 454.000 4.703 50 10 JJGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cc(Br)n(C)n1 2094079741 HOCXLACHGKXLSR-CYBMUJFWSA-N 452.972 4.746 50 10 JJGE O=C(NC[C@@H](Br)CC(F)(F)F)c1cc(Br)ccc1Br 2119066821 YMPPFMDZASKTAT-ZETCQYMHSA-N 467.905 4.657 50 10 JJGE ClC[C@@H]1CCC2(CCC2)CN1c1ncc(I)cc1Br 2133381415 HJARDSMQWAFEBK-NSHDSACASA-N 455.565 4.827 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@H](CCCl)CC1 2149742518 LJJFCGFNHSIRTA-LLVKDONJSA-N 470.576 4.925 50 10 JJGE Oc1nc2ccc([C@H](Cl)c3ccc(Br)cc3I)cc2[nH]1 2207274198 ZQUSMHSECVKKPS-ZDUSSCGKSA-N 463.500 4.964 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@@H]2CCCC(F)(F)C2)CC1 2216644241 OBDIJMXWLSGNQO-CYBMUJFWSA-N 459.315 4.786 50 10 JJGE Cn1ncc([C@H](Cl)Cc2ccc(Br)cc2Cl)c1I 2221696179 XIUFFKYCAGAZMP-LLVKDONJSA-N 459.940 4.963 50 10 JJGE O=C(Nc1ccc(Cl)cc1CBr)c1cc(I)sn1 2223320526 NXMLJVJCBQOBGW-UHFFFAOYSA-N 457.518 4.548 50 10 JJGE COc1ccc(OC)c([C@H](Br)c2c(F)cccc2I)c1 2282892558 CZDXEPSUJGLYBY-HNNXBMFYSA-N 451.073 4.932 50 10 JJGE CC(=NNC(=O)CCSc1ccc(Cl)cc1)c1cccc(I)c1 2297484302 BQECSZDQVVRDQB-UHFFFAOYSA-N 458.752 4.967 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(Cl)cc1C 2314737104 LUHCIMWFNXTDDA-UHFFFAOYSA-N 490.943 4.865 50 10 JJGE COc1cccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)n2)c1 2331246477 RLGYZDIQBRGKKY-UHFFFAOYSA-N 494.532 4.960 50 10 JJGE O=S1(=O)CC[C@@H]([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)C1 2337090094 IVIFFCGIIKLWAX-FWOIEVBISA-N 454.970 4.719 50 10 JJGE CC(C)(C)OC(=O)N[C@@]12CCC(F)(F)C[C@@H]1CN(C[C@@H](CBr)C1CCC1)C2 2370219021 AFSYNCKVMIMTHF-GPMSIDNRSA-N 451.396 4.812 50 10 JJGE CCCOc1ccc(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1Br 14647246 FOWXEMDWQUVSRX-UHFFFAOYSA-N 453.336 4.980 50 10 JJGE CN(c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cccc(Br)c1)C1CCCCC1 20074986 LVWDHYVVHILLBR-OEAKJJBVSA-N 459.344 4.890 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C=C/c1ccc(C)cc1 40870013 KFZOZJUFAUAIPN-SODNIJEJSA-N 452.510 4.846 50 10 JJGE O=C(N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1ccccc1Cl 59153607 LPBPCLPAONOTOO-QOMWVZHYSA-N 486.728 4.923 50 10 JJGE COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCCBr 83318705 FTYIQSWBDPMITP-ATVHPVEESA-N 450.379 4.875 50 10 JJGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242012 KDVAJMCRKXYRFO-FYAMCCBRSA-N 471.582 4.893 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CCC[C@H](CCBr)C1 232348198 KMVUCCIEWXZSFS-SNVBAGLBSA-N 456.549 4.582 50 10 JJGE CCC(CC)N(CCCl)C(=O)c1cc(I)ccc1Br 232908149 IKGRFYUVZZHXMM-UHFFFAOYSA-N 458.565 4.923 50 10 JJGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)c1O 252635940 XCOQYWGXHUBRTM-UHFFFAOYSA-N 480.977 4.695 50 10 JJGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CN(S(=O)(=O)c3ccccc3)CCN2)cc1 616655166 WERACCSWSVDIIZ-HSZRJFAPSA-N 460.716 4.586 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CCC[C@H](Br)C2)cc1Br 694497415 PSIFGHGGPPLWFK-VHSXEESVSA-N 490.055 4.504 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)c(C)n1-c1ccc(F)cc1 759075272 AODYLJZVLFCBDQ-GNHCGYKESA-N 471.511 4.919 50 10 JJGE CC(C)(C)COC(=O)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084056342 ROFQNKZJERWZCZ-UHFFFAOYSA-N 458.356 4.515 50 10 JJGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1ccccc1Cl 1084121984 MLLYGNXWTCRLOP-UHFFFAOYSA-N 460.553 4.703 50 10 JJGE COc1ccc(C)cc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2ccc(Cl)cc2Cl)c1C 1084360370 PGYWSYIYXFOYHP-UHFFFAOYSA-N 473.360 4.807 50 10 JJGE O=[N+]([O-])c1cc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)ccc1Cl 1614618407 YBDMHJGFDDGUGL-HZPDHXFCSA-N 456.711 4.899 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)C1 1614620371 DTXXONYMBFCOQN-VXGBXAGGSA-N 464.154 4.703 50 10 JJGE CC(=O)c1ccc(Nc2ccccc2C(=O)NNC(=O)c2ccc(Br)s2)cc1 1618433574 GTKLQYZCFGKXHP-UHFFFAOYSA-N 458.337 4.532 50 10 JJGE C#C[C@@H](NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)c1ccc(F)cc1 1624783798 CJEHONNBIOKYJI-CMYVBNMBSA-N 457.896 4.654 50 10 JJGE CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1 1865683163 HNQKAGUCOXTBTF-QGZVFWFLSA-N 459.859 4.829 50 10 JJGE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(OCc4ccccc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865687166 KXYNISDYGBQPIJ-RUZDIDTESA-N 494.551 4.901 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccccn2)C(C#N)=C(N)O3)cc1 1865699771 BXPIKZDBXIXUAP-QFIPXVFZSA-N 469.932 4.874 50 10 JJGE CCCC[C@H](NC(=O)CCCc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(SC#N)cc1 1866790015 SHKGVVJJQDOIGQ-NRFANRHFSA-N 467.591 4.667 50 10 JJGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(C)ccc4OC)cs3)cc2C1=O 1873921239 YTQPZVXUOMYGAZ-ATJXCDBQSA-N 489.553 4.710 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@H](C(F)(F)CBr)C1 1892715788 STZBNARHIXNMRU-ZCFIWIBFSA-N 481.982 4.765 50 10 JJGE CC(C)[C@@H]1C[C@H](NCCSSCCNC(=O)OC(C)(C)C)CN1C(=O)OCc1ccccc1 1903379343 LOHBLAODADNOIK-SFTDATJTSA-N 497.727 4.918 50 10 JJGE CC[C@H](CBr)N(C)Cc1ccc(I)c(Br)c1 1904343337 HOGKTFGJEYPPJI-SNVBAGLBSA-N 460.979 4.659 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)NCC(C)(C)[C@H](C)Br)cc1Br 1913850363 ZGOQXZRHFSOHJU-VIFPVBQESA-N 492.071 4.608 50 10 JJGE O=C(c1cc(Br)ccc1I)N1[C@H]2CCC[C@H]1CC(Cl)C2 1922795657 MWXDXSNBOORGIM-RYUDHWBXSA-N 468.560 4.818 50 10 JJGE C[C@H](CCCBr)CNc1ncc(I)cc1Br 1988530796 KUWBWWOFMJECHC-MRVPVSSYSA-N 461.967 4.672 50 10 JJGE CN(C(=O)c1c(Br)cccc1Br)[C@@H]1CCCC[C@H]1Br 2094088061 HCMOGIDEARLPRA-BXKDBHETSA-N 454.000 4.990 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC2(CC2)C[C@@H]1CBr 2099155849 XTAIDAVZEGENQS-SNVBAGLBSA-N 451.984 4.601 50 10 JJGE CC(C)[C@H]1[C@H](Cl)CCN1C(=O)c1ccc(I)c(Br)c1 2126077238 NLMRLDRRXJPZMS-YPMHNXCESA-N 456.549 4.532 50 10 JJGE CN(C(=O)c1ccc(Br)cc1I)[C@H](CCl)C(C)(C)C 2142288459 KSEOTEBHWTUORD-GFCCVEGCSA-N 458.565 4.779 50 10 JJGE CN([C@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(CCl)oc1Br 2156445814 YQWAPUWZXJLILN-RDJZCZTQSA-N 476.820 4.785 50 10 JJGE CC(C)[S@](=O)(=NCc1ccc(CBr)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2183215509 JEWKRCKKEZNAJM-DNOBIOAJSA-N 459.450 4.967 50 10 JJGE CC(C)(C)[C@@H]1[C@@H](Cl)CCN1C(=O)c1cc(I)ccc1Br 2185112640 CYIKTBKZMRDZSG-STQMWFEESA-N 470.576 4.922 50 10 JJGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CCn3ncnc3C2)c1Br 2203708086 ZVEDOIDEJGXAMP-YMTOWFKASA-N 463.999 4.810 50 10 JJGE CC1(C)OCCO[C@H]1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225616180 CZVUZLIFSZEIHV-RYUDHWBXSA-N 460.963 4.981 50 10 JJGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Cl)ccc2O)cc1 2297321713 HMJSZQYKECATKM-UHFFFAOYSA-N 490.991 4.813 50 10 JJGE CCOc1cc(C=NNC(=O)c2sc(=N)[nH]c2CC)ccc1OCc1ccccc1Cl 2323177417 OXXIMSRHWSLOKG-UHFFFAOYSA-N 458.971 4.513 50 10 JJGE Brc1cc(CN2C[C@@H](Br)CC3(CC3)C2)ccc1I 2325217724 HPAFYBKUYVUHDB-NSHDSACASA-N 485.001 4.803 50 10 JJGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)CC1=O 2331336820 BIUAMVAOLUOUCP-HNNXBMFYSA-N 493.516 4.590 50 10 JJGE Clc1ccc(CN2C[C@H]3CCC[C@@]3(CBr)C2)cc1I 2337225460 MBUZPHJEXAWVIJ-IUODEOHRSA-N 454.577 4.942 50 10 JJGE O=C(N[C@@H]1CCCCC[C@H]1Br)c1ccc(Cl)cc1I 2340054086 JALSIOBMZSPIOW-DGCLKSJQSA-N 456.549 4.771 50 10 JJGE O=C(N[C@@H]1C[C@H](CBr)C12CCC2)c1ccc(Br)cc1Br 2379721325 RVDWFPILHIEHHC-NOZJJQNGSA-N 466.011 4.895 50 10 JJGE N#C/C(=C/c1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)c1ccccc1F 31901633 VFNHODZLNARJDG-FXBPSFAMSA-N 476.529 4.894 50 10 JJGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCCc2ccccc2)c1 33623732 JQMXUIZYSFOTMK-QJOMJCCJSA-N 478.552 4.678 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1OC 38658500 XIDMCZWUDWMMOB-VWLOTQADSA-N 492.915 4.560 50 10 JJGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)cc1 38658524 FIQYSZDHDOXFOH-AREMUKBSSA-N 484.508 4.706 50 10 JJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1OC 38681026 SQPKIDORCCEIDS-NDEPHWFRSA-N 498.535 4.771 50 10 JJGE Cc1cccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])c1C 40620713 SWZCKUHFNAFVCP-UHFFFAOYSA-N 477.308 4.574 50 10 JJGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1Nc1cccc(C(F)(F)F)c1 40781943 JGCICJUUMUITAM-UHFFFAOYSA-N 457.243 4.885 50 10 JJGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)COc2ccc(Cl)cc2Br)c1 40944723 IDRQNMMJBDKIOP-RIYZIHGNSA-N 464.699 4.557 50 10 JJGE O=C1CCc2cc([C@H](Br)c3csc(I)c3)c(F)cc2N1 124424791 UMBZMTKFFPVFBI-CQSZACIVSA-N 466.113 4.861 50 10 JJGE CCCOc1ccccc1/C=C(\C#N)C(=O)Oc1ccc(/C=C(/C#N)C(=O)OCC)cc1OCC 206989559 DNCKOXLOIFFJHS-AZUPUNDDSA-N 474.513 4.857 50 10 JJGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OC(C)C)c(OC)c2)c(OC)c1 207009429 ZWHCXLPEQWUIJT-QLZDPBCMSA-N 478.545 4.543 50 10 JJGE O=S(=O)(NC[C@@H]1CC[C@@H](Br)C1)c1c(Cl)cc(Br)cc1Cl 227792862 COPHQWMXXVDOMS-HTQZYQBOSA-N 466.022 4.598 50 10 JJGE Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2Cl)cc1 252603260 FPNPDTIPQXOOAA-UHFFFAOYSA-N 481.892 4.613 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N(C)[C@@H]2CCCC[C@H]2Cl)cc1Br 252929061 RPATVDLVPOZEJB-CHWSQXEVSA-N 459.631 4.691 50 10 JJGE C=CCc1ccc(C=NNC(=O)CSc2nnc(SCc3ccccc3)s2)cc1O 254741469 VCDITBPCGSXUEC-UHFFFAOYSA-N 456.618 4.507 50 10 JJGE O=S(=O)(c1cc(CCl)sc1Br)N1CCC(OCc2ccccc2)CC1 383795497 XOWNWPVDJRIKGK-UHFFFAOYSA-N 464.834 4.619 50 10 JJGE Cc1nnc(CC(CBr)(CBr)c2cccc(Br)c2)s1 704966082 YVZARHORQGFFNJ-UHFFFAOYSA-N 469.040 4.879 50 10 JJGE COc1ccc(C=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1OC 1084031380 REXDFFXINZHZTK-UHFFFAOYSA-N 471.601 4.922 50 10 JJGE C=CCc1cc(C=NNC(=O)c2cc(Br)c(O)c(Br)c2)cc(OCC)c1O 1084119862 IOYZEBZYAXKDGI-UHFFFAOYSA-N 498.171 4.514 50 10 JJGE CCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2OC)CCC3)cc1 1772746244 SVJWHSOWXTXOGO-UHFFFAOYSA-N 461.518 4.718 50 10 JJGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707211 QZJYDTDXMOULHB-HXUWFJFHSA-N 450.926 4.719 50 10 JJGE N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1ccccc1I 1866130915 SHXVCXGGJVQWHB-XYOKQWHBSA-N 453.077 4.599 50 10 JJGE COc1ccccc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)n1 1872746956 HFHVBRYEVYXSLQ-FLFQWRMESA-N 494.532 4.960 50 10 JJGE CCOc1c(Br)cc(Br)cc1CNCC1CC(Br)C1 1887923980 LQIHWTKIHCYJCB-UHFFFAOYSA-N 456.016 4.873 50 10 JJGE O=C(CCCCCCCCCc1ccccc1)O[C@H](CBr)COP(=O)(O)O 1911580340 IHTMTVSBHMPLJC-GOSISDBHSA-N 465.321 4.766 50 10 JJGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1Br 1915088981 RSYSEXWODQAPHI-AWEZNQCLSA-N 479.209 4.953 50 10 JJGE C[C@@H](Cl)c1cn(-c2cc(Br)c(I)c(Br)c2)nn1 1946435286 URHLNBUTDOKDNZ-RXMQYKEDSA-N 491.352 4.697 50 10 JJGE C[C@H]1C[C@H](Br)[C@H](C)CN1C(=O)c1ccc(I)c(Cl)c1 2093110627 DDBVGGXPSFCAJZ-YWVKMMECSA-N 456.549 4.579 50 10 JJGE Clc1ccc(I)c(CN2C[C@H]3CCC[C@]3(CBr)C2)c1 2103168641 MRVNMCUCKOFNHF-DOMZBBRYSA-N 454.577 4.942 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CCC([C@@H](F)CBr)CC1 2163245660 MSIBLZHXCIYNEP-ZDUSSCGKSA-N 471.990 4.797 50 10 JJGE C[C@](CI)(O[C@@H]1COC2(CCC2)C1)c1ccccc1Br 2197361282 WGUZDFWSFAKCGB-SWLSCSKDSA-N 451.142 4.828 50 10 JJGE BrC[C@H]1C[C@H]2[C@@H](C1)OCCN2Cc1c(Br)cccc1Br 2199764306 CISCPKRAJSFVQQ-NZVBXONLSA-N 468.027 4.586 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CCC2(CC1)C[C@H]2CCl 2207264068 AQNMOMGOFVFAGE-JTQLQIEISA-N 468.560 4.535 50 10 JJGE CCN(C(=O)c1cc(Br)cc(Br)c1)[C@@H]1CCC[C@@H]1Br 2224419905 JIUDDIQISDXWPP-QWHCGFSZSA-N 454.000 4.990 50 10 JJGE CC(C)(C)OC(=O)N[C@@H](C[S@](C)(=O)=NCC1(CBr)CC(F)C1)C(C)(C)C 2265631412 DDHLYKOZZQBHNE-OJLMMMNUSA-N 457.450 4.537 50 10 JJGE COc1cccc(C=C(C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)c1OC 2297321196 YGSHUCMKEGYTDO-UHFFFAOYSA-N 461.455 4.906 50 10 JJGE Cc1c(C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 2331334782 KFYCLNAIXBVCDZ-UHFFFAOYSA-N 452.404 4.614 50 10 JJGE O=S1(=O)CCC[C@H]1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2335372024 RTYYJOQRFOYNID-XVKPBYJWSA-N 454.970 4.908 50 10 JJGE C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 23379571 WBOKEOXNWWNQRA-HMMYKYKNSA-N 496.405 4.668 50 10 JJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1 38650654 FWQPGWYCDDTVGR-MHZLTWQESA-N 470.525 4.986 50 10 JJGE O=C(NNc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-])c1ccccc1F 40583286 MTFKRRATTPGEFF-UHFFFAOYSA-N 470.770 4.697 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1 58894389 KSQLBHUQSOBQKW-CGNQLUSGSA-N 497.979 4.808 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1CC(C)C 97664617 VJIASPVXVONJRT-GRSHGNNSSA-N 464.591 4.662 50 10 JJGE Cc1ccc(OCC(=O)NN=Cc2ccc(-c3ccc(I)cc3)o2)cc1C 254290321 MXEORFIJELMDSY-UHFFFAOYSA-N 474.298 4.697 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccc(Br)c(O)c2)C1 383466319 IYUTVJJKRKPNKM-RYUDHWBXSA-N 482.156 4.540 50 10 JJGE O=C(N[C@H](CBr)C1CCCC1)c1cc(Br)sc1Br 385996748 BTHMNUSYDWGPSS-SECBINFHSA-N 460.029 4.957 50 10 JJGE CC[C@@H](Br)c1nnc(-c2ccc(I)c(Br)c2)o1 721580058 SGTFLXPFVWZMLN-SSDOTTSWSA-N 471.918 4.950 50 10 JJGE O=C(NCC[C@H]1CCOC1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238804 XGQINJNRVUFBBF-LIRRHRJNSA-N 474.932 4.623 50 10 JJGE CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)NN=Cc1cc([N+](=O)[O-])ccc1O 1084500305 RCHARFCIODMHBA-SFHVURJKSA-N 472.295 4.524 50 10 JJGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cc(Cl)ccc2O)cc1 1865690039 ZNYXUSPSWYKWOE-QGZVFWFLSA-N 460.843 4.836 50 10 JJGE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865690606 WRKGBXQKZRHAEV-DEOSSOPVSA-N 464.525 4.893 50 10 JJGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cn(C)c3ccccc13)C(C#N)=C(N)O2 1865699141 LXRLOJJTIWFVNF-QFIPXVFZSA-N 461.928 4.996 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1 1865712791 HZVGSDIBEYZXBW-QGZVFWFLSA-N 460.843 4.830 50 10 JJGE Cc1oc(C)c(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)c1CCl 1946826412 HGUNSJRYSYFPTE-UHFFFAOYSA-N 461.027 4.958 50 10 JJGE CC(C)(C)OC(=O)N1CCN(C[C@H](CBr)c2ccccc2)CCN1C(=O)OC(C)(C)C 1999500437 FKUPCZGHHVTMSC-IBGZPJMESA-N 498.462 4.870 50 10 JJGE BrCC[C@H]1CN(Cc2c(Br)cccc2Br)CCS1 2033092449 BEYNSUATVROUCE-JTQLQIEISA-N 458.057 4.914 50 10 JJGE CC(C)CN(CCBr)C(=O)c1cc(I)ccc1Br 2036717306 FXJRCUVPSDUTOJ-UHFFFAOYSA-N 488.989 4.547 50 10 JJGE FC(F)c1c(I)ccc(I)c1CBr 2060238236 DTGISZFYIZWMND-UHFFFAOYSA-N 472.836 4.728 50 10 JJGE C[C@@H](Br)[C@H]1CCCCN1C(=O)c1c(Br)cccc1Br 2094096283 WINUQAGBZHEYSC-BXKDBHETSA-N 454.000 4.990 50 10 JJGE CN([C@@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(Br)c(CCl)c1 2100206643 FNYCVSDWUULNJT-RTBURBONSA-N 458.805 4.556 50 10 JJGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1cnn(C)c1I 2138243704 VUTNQOMUJFOHGF-JTQLQIEISA-N 475.939 4.777 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1scc(Br)c1Br 2139715024 QJBFVQKWMBJWMQ-GHCJXIJMSA-N 472.040 4.955 50 10 JJGE CC1(C)CC(CCl)(CNC(=O)c2cc(I)ccc2Br)C1 2158309634 PBQINKHAKQFESX-UHFFFAOYSA-N 470.576 4.829 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CN(CC2(CBr)CCCC2)CC[C@@H]1C(F)(F)F 2163059771 WHQSIMKAYRDWSP-CABCVRRESA-N 457.375 4.967 50 10 JJGE Cc1cccc(C(=O)N(C)[C@@H]2CCCCC[C@@H]2Br)c1I 2172548838 WWVVYEPNNUUICR-UONOGXRCSA-N 450.158 4.768 50 10 JJGE O=S(=O)(c1ccc(CBr)c(Cl)c1)N(Cc1ccccc1)CC1CCOCC1 2179778552 DVCKVIASSHBWJN-UHFFFAOYSA-N 472.832 4.852 50 10 JJGE CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccc(CBr)cc2)CC[C@@H]1C(F)(F)F 2182845800 VHNTVNOTQMMDTQ-JKSUJKDBSA-N 451.327 4.859 50 10 JJGE C[C@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1ccc(CCl)c(Br)c1 2197755450 SVGOWLAJAZYRFV-HXUWFJFHSA-N 472.832 4.948 50 10 JJGE Cc1cc(C(=O)NC[C@@H]2CCCC[C@H]2CBr)ccc1I 2207108605 XMOVGIGZKPJICX-KBPBESRZSA-N 450.158 4.531 50 10 JJGE CC1(CO[C@@](C)(CI)CNC(=O)OC(C)(C)C)CC2(CC(F)(F)C2)C1 2222927530 UKGMOWRUXPVCIY-INIZCTEOSA-N 473.342 4.937 50 10 JJGE C[C@H](CBr)CC1CN(C(=O)c2cc(Br)cc(Br)c2)C1 2230699257 FBDMRWOSZILDNP-VIFPVBQESA-N 454.000 4.705 50 10 JJGE C[C@@H](Br)CN(C(=O)c1ccc(Cl)c(I)c1)C(C)(C)C 2272495216 ZXRRMLHCYKCKFE-SECBINFHSA-N 458.565 4.969 50 10 JJGE C[C@@H](CCCCBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277914287 GMEKCZWCYRKBAH-JTQLQIEISA-N 456.016 4.824 50 10 JJGE O=C(c1scc(Br)c1Cl)N1CC[C@@](CBr)(C(F)(F)F)C1 2279184098 QVFMJDDJRLQCSN-JTQLQIEISA-N 455.521 4.954 50 10 JJGE FC(F)C[C@H](CBr)NCc1ccc(I)c(Br)c1 2306224221 OCNKTDIRNWTQNH-MRVPVSSYSA-N 482.932 4.562 50 10 JJGE CC(C)COc1cccc(C=NNC(=O)c2cc(-c3ccccc3)nc(N3CCCCC3)n2)c1 2323756290 HCYVGFJPGLVEIO-UHFFFAOYSA-N 457.578 4.933 50 10 JJGE Brc1cc(CN2CC[C@@H](Br)[C@H]3CC[C@H]32)ccc1I 2325232888 HDBKWJSJCFQGPU-JTNHKYCSSA-N 485.001 4.802 50 10 JJGE CC1(C)CC(CBr)(CN=S2(=O)CCC3(CCN3C(=O)OC(C)(C)C)CC2)C1 2371132255 YTJLELQFHHYNEZ-UHFFFAOYSA-N 463.482 4.829 50 10 JJGE COc1ccc2nc(N(/N=C/c3ccccc3)C(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2c1 9629007 KBTGFIGQGHGTCG-JVWAILMASA-N 484.537 4.639 50 10 JJGE Cc1cc(NCC(=O)N/N=C/c2ccccc2OCc2ccccc2)ccc1I 12445865 UPXKGFMXFZJRIC-VULFUBBASA-N 499.352 4.741 50 10 JJGE CCOc1ccc(Br)cc1C(=O)NNC(=O)c1sc2ccccc2c1Cl 14654914 GLWMXXMLQGIEJO-UHFFFAOYSA-N 453.745 4.791 50 10 JJGE CCC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 14784133 SURJMXUWRYHNLK-UHFFFAOYSA-N 465.594 4.733 50 10 JJGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(\C#N)C(=O)NCc2ccccc2)cc1 16739736 IFGMCQPCSDIBKI-GUNDDFSMSA-N 471.557 4.877 50 10 JJGE N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1nn(CCO)c(N)c1C#N 20076219 TXZCPOVGLOTREX-CXUHLZMHSA-N 477.355 4.703 50 10 JJGE CCOc1ccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1 40649603 DHRDZJXVUOOEPK-UHFFFAOYSA-N 484.516 4.802 50 10 JJGE COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)ccc1OCc1ccc(C(=O)O)cc1 59165740 YHSDYIUJHOVZEB-WKULSOCRSA-N 490.556 4.933 50 10 JJGE C=C(C)c1cccc(C(C)(C)NC(=O)NNc2ncnc3sc(C(=O)OCC)c(C)c23)c1 96469337 PFKUWNPDWCOFOT-UHFFFAOYSA-N 453.568 4.771 50 10 JJGE COc1cc(/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 101338221 VREKAGVFJQGGKN-XQNSMLJCSA-N 458.558 4.955 50 10 JJGE CN([C@H]1CCCC[C@@H]1Br)S(=O)(=O)c1cc(Br)ccc1Br 158189543 MQYHIVRKHFGDDC-JQWIXIFHSA-N 490.055 4.538 50 10 JJGE COc1cc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc([N+](=O)[O-])c1OC(C)C 169890102 QMPHDMYLBJLXMJ-MXAYSNPKSA-N 450.495 4.515 50 10 JJGE O=C(NC[C@@H](Cl)c1ccccc1)c1cc(I)ccc1Br 236025084 GPDGWWKCKIZPCP-CQSZACIVSA-N 464.528 4.764 50 10 JJGE Cc1cccc(OCC(=O)NN=Cc2cccc(OC(=O)c3cccc(Br)c3)c2)c1 254630527 KXVBKJNADLJQJT-UHFFFAOYSA-N 467.319 4.506 50 10 JJGE FC(F)(F)c1nc(-c2ncc(Br)cc2Br)ncc1CBr 379669174 CVYCTTFFWZUAFG-UHFFFAOYSA-N 475.888 4.977 50 10 JJGE C[C@@]1(CBr)CCCN(C(=O)c2cc(Br)c(Br)s2)C1 688843136 DBKVREHPTBJQKD-LBPRGKRZSA-N 460.029 4.910 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CCS[C@H](CCBr)C1 720038228 CNBSFWXQOSNJNF-SNVBAGLBSA-N 472.040 4.554 50 10 JJGE COc1ccc(CCOC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 782092253 DJOVEFGVIHUWDI-HMMYKYKNSA-N 460.921 4.819 50 10 JJGE C=CC(=O)N1CCC(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)(c2ccccc2)CC1 1540396723 UCEXXLFXULMOSN-UHFFFAOYSA-N 452.769 4.836 50 10 JJGE CC(=O)c1cccc(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1 1556750358 HZVJEKMBIOFYLF-FYJGNVAPSA-N 457.921 4.543 50 10 JJGE O=[N+]([O-])c1cc(Cl)ccc1[C@@H]1CN(Cc2ccccc2)C[C@@H]1CI 1614629966 NMESQCPXFKJFRD-WMLDXEAASA-N 456.711 4.899 50 10 JJGE O=C(NN=Cc1sc(=O)n(Cc2ccc(Br)cc2)c1Cl)c1cccc(Cl)c1 1772719927 ULYQOVSNRPZBRX-UHFFFAOYSA-N 485.190 4.791 50 10 JJGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NN=Cc1ccc(Br)o1 1772753915 GUIZLSYYDXOLMZ-UHFFFAOYSA-N 458.150 4.631 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865684514 ZPPGTUCEEQMFJE-DEOSSOPVSA-N 463.541 4.832 50 10 JJGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccc[nH]2)C(C#N)=C(N)O3)cc1 1865709985 LVLRNDWIVVWQCG-OAQYLSRUSA-N 475.911 4.946 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)c1 1865712385 XCHHNUGUSOHRHR-QHCPKHFHSA-N 452.489 4.964 50 10 JJGE CSCC[C@H](NC(=O)Cc1nc(-c2ccccc2C)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866646463 RZLADRHLSWOWIG-NRFANRHFSA-N 494.642 4.951 50 10 JJGE CCCC[C@H](NC(=O)c1cc(-c2cc(F)ccc2OC)n(C)n1)C(=O)Nc1ccc(SC#N)cc1 1867106175 QQCGGHRTVPPDHA-FQEVSTJZSA-N 495.580 4.735 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1OC 1872745264 FBRICTSODBEZEF-LTXLMFNASA-N 461.543 4.669 50 10 JJGE BrCc1cc(Br)c(OC[C@@]23CCOC[C@@H]2C3)c(Br)c1 1880400378 SJPXMUYMBPQNKU-HZMBPMFUSA-N 454.984 4.912 50 10 JJGE C[C@@H](CCBr)N(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1917074407 PWQUWEJOXOARHM-ZETCQYMHSA-N 454.011 4.550 50 10 JJGE O=C(N[C@@H](CBr)CC1CCCCC1)c1csc(I)c1 1926766506 JFZOKOJFDYDFIC-GFCCVEGCSA-N 456.187 4.816 50 10 JJGE C[C@H]1C[C@H](NCCSSCCNC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 1985347456 SGEBPEHJSGJXTQ-DLBZAZTESA-N 463.710 4.518 50 10 JJGE CC1(C)CC(CBr)(NC(=O)c2cc(Br)c(Br)s2)C1 2045113389 IIQMMDDCPGRXKY-UHFFFAOYSA-N 460.029 4.957 50 10 JJGE BrCCO[C@H]1CCCN(Cc2ccc(Br)cc2Br)C1 2113857426 XMAXUPCQAQZSFL-ZDUSSCGKSA-N 456.016 4.588 50 10 JJGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H]1CCOC1 2123272371 ZEFROEZBYGDMOT-GOSISDBHSA-N 458.805 4.523 50 10 JJGE C[C@@H](Br)C[C@H]1COCCN1Cc1cc(Br)ccc1Br 2128882129 WEWOSJJKPMKFJU-MFKMUULPSA-N 456.016 4.586 50 10 JJGE C[C@@H]1Cc2cc([C@@H](Br)c3cnn(C)c3Br)cc(Br)c2O1 2146627959 LXTLKWRUPZXCHY-JMCQJSRRSA-N 464.983 4.753 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@@H]2CC[C@H](Br)C[C@H]2C1 2150493659 MGEOHIFBDJWOOB-DCAQKATOSA-N 466.011 4.847 50 10 JJGE CC[C@@H](Br)CN(CC)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2162890117 ZNGCMUIKWMVLQO-MRVPVSSYSA-N 468.038 4.940 50 10 JJGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC[C@@H](Br)CC12CCC2 2169880089 CAVQZASETKRFDQ-MRVPVSSYSA-N 463.644 4.635 50 10 JJGE O=C(c1ccc(Br)cc1C(F)(F)F)N1CCC(I)CC1 2198573251 ONJGGNKOCCAKQJ-UHFFFAOYSA-N 462.047 4.508 50 10 JJGE CCN(C(=O)c1ccc(Br)cc1Br)[C@@H]1CCC[C@H]1Br 2224421537 NNGZHMXEILXBSO-DGCLKSJQSA-N 454.000 4.990 50 10 JJGE Cc1ccc(I)c(C(=O)NCC[C@@H]2CCCC[C@@H]2Br)c1 2240902154 XEPGHOXUVRMQOO-JSGCOSHPSA-N 450.158 4.673 50 10 JJGE CC[C@@H]1[C@@H](CBr)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2295307575 LLPJYZKIDBAQRK-BXUZGUMPSA-N 468.027 4.776 50 10 JJGE CC(C)CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)CC(C)(C)CI 2306810184 QSMAQQHTMVVHPR-INIZCTEOSA-N 452.421 4.805 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(I)c1OC 2313518172 PNAYFSNKUXXUOC-UHFFFAOYSA-N 462.287 4.553 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(O)c2)sc2c1CC[C@H](CC)C2 2314572281 XPKDAPPAGUCKOG-AWEZNQCLSA-N 454.548 4.700 50 10 JJGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 2314618731 SNGLCPVZUMWNFZ-QHCPKHFHSA-N 496.542 4.758 50 10 JJGE CCCOc1ccccc1C=CC(=O)NNC(=O)c1ccc(-c2ccc(F)cc2F)nc1C 2321153274 BBEHGTLWAJIVAR-UHFFFAOYSA-N 451.473 4.598 50 10 JJGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1ccc(Br)cc1Br 2330901129 KTLROQJDTLXZQA-BSCUDYGSSA-N 451.984 4.503 50 10 JJGE COc1ccccc1-c1csc(C(C#N)=C(O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 2331281958 MQCIWKQMNQETJL-NRFANRHFSA-N 459.527 4.932 50 10 JJGE N#CC(=C(O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2cccs2)cs1 2331327608 YIXCOYUPPLPIMS-UHFFFAOYSA-N 466.500 4.649 50 10 JJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1 38658157 SHENWERCWVDPLY-WGDIFIGCSA-N 486.499 4.982 50 10 JJGE CCN(c1ccccc1)c1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 40573503 HJHHYYNBOIGRHG-UHFFFAOYSA-N 468.517 4.818 50 10 JJGE CC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)c(Br)c1 40951369 PLQGRGADGRBEGC-YDZHTSKRSA-N 478.343 4.670 50 10 JJGE COc1ccc([C@@H](C(=O)NC2CCCCCC2)N(CCc2ccccc2)C(=O)CCl)cc1OC 97914926 RAPCNNNESMTUQJ-SANMLTNESA-N 487.040 4.894 50 10 JJGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C1=O 101335212 SEIQVZOLLYLIRG-BUVRLJJBSA-N 480.568 4.703 50 10 JJGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCCc2ccccc2)c(C)c1 102851259 XAERJMQYKFSBSF-QJOMJCCJSA-N 478.552 4.678 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C=C/c1ccc(C)cc1 206396741 KFZOZJUFAUAIPN-WKURLSIOSA-N 452.510 4.846 50 10 JJGE CC(=NNC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2Cl)c1 254869457 JAUDVNKJEPYITJ-QGZVFWFLSA-N 493.947 4.937 50 10 JJGE Cc1nc(C)c(C(=O)NN=C/C=C/c2ccccc2)cc1C(=O)NN=C/C=C/c1ccccc1 254870848 HLQDVAVUBDKUEJ-CZYRAXOQSA-N 451.530 4.556 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccc(OC(F)(F)F)cc2)C1 725425039 NNDRVDWDMPIDIO-TZMCWYRMSA-N 471.257 4.971 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)c(-c2ccccc2)n1 725717019 DJIAOOMNIJVMMI-CJLVFECKSA-N 487.523 4.657 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)NCC2(c3ccc(Cl)cc3)CC2)c(-c2ccccc2)n1 727408622 DEFINQMOZSTMKC-HMMYKYKNSA-N 455.949 4.872 50 10 JJGE CC[C@@H]1CCCCN1C(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 782092101 CAYSJQCIEZJDBF-BDURKJSPSA-N 493.995 4.747 50 10 JJGE Cc1cccc(OCCNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1 818036445 AGCZLJRYVYMTAO-HKWRFOASSA-N 459.937 4.528 50 10 JJGE O=C(Cn1c2ccccc2c2ccccc21)NN=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1 1084156242 XJUZMRSXTOAFJN-UHFFFAOYSA-N 455.518 4.843 50 10 JJGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)OCC 1084372601 WRIIDFBSCJRMES-XDHOZWIPSA-N 483.362 4.974 50 10 JJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1ccccc1O 1084572222 SHVDFJPZDQWPNV-UHFFFAOYSA-N 478.140 4.600 50 10 JJGE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C 1628638921 CDNDTQOVKZBJIK-SQFISAMPSA-N 457.452 4.857 50 10 JJGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)n1 1772751838 ZSKXSBKENFHFOM-UHFFFAOYSA-N 453.502 4.562 50 10 JJGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OC)c(O)c1)C(C#N)=C(N)O2 1865682861 ZAVBSHMMGWUAMT-HXUWFJFHSA-N 471.344 4.733 50 10 JJGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)cc1OC 1865695731 GYMPJJLYLGLBLC-HSZRJFAPSA-N 474.561 4.891 50 10 JJGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702636 XZJOWKPNSIDBCH-IBGZPJMESA-N 453.315 4.945 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)c(OC)c1 1865707987 LDLKOMQPVYWCFH-SFHVURJKSA-N 490.869 4.839 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865708527 APLIAMXPLZZTBT-QHCPKHFHSA-N 496.498 4.662 50 10 JJGE CCc1ccc(-c2ccc(C(=O)NNC(=O)COc3ccc(Cl)cc3Cl)c(C)n2)cc1 1865758449 ASPAMSPIYOBUSJ-UHFFFAOYSA-N 458.345 4.766 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)c2cccc(Cl)n2)cc1 1866565960 SKZFKMRITHVSGO-FQEVSTJZSA-N 483.018 4.979 50 10 JJGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CNS(=O)(=O)c3ccc(C)cc3)n2)c(OCC)c1 1872755625 XFYDWEYONZZROM-XDOYNYLZSA-N 499.614 4.687 50 10 JJGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1cc(I)ccc1O 1915753551 HHQSLCDFAWUJNJ-UHFFFAOYSA-N 488.163 4.813 50 10 JJGE O=C(NC[C@@H](CBr)C1CCC1)c1scc(Br)c1Br 2029477082 BMQBIQOHIQSJPJ-MRVPVSSYSA-N 460.029 4.814 50 10 JJGE CCC[C@@H](CBr)CNC(=O)c1cc(I)ccc1Br 2057120319 PJPNMWYGUSOAND-VIFPVBQESA-N 488.989 4.595 50 10 JJGE O=C(c1csc(Br)c1Br)N1CC[C@H](Br)[C@@H]2CC[C@@H]21 2069997773 WRFGQGONIPJZHC-XVYDVKMFSA-N 458.013 4.661 50 10 JJGE COc1cc(Br)c(C)cc1[C@H](Br)c1cc(Br)n(C)n1 2094079742 HOCXLACHGKXLSR-ZDUSSCGKSA-N 452.972 4.746 50 10 JJGE C[C@@H](Br)[C@@H]1CCCN(C(=O)c2c(Br)cccc2Br)C1 2094096563 ZABHEHYYTXBIEV-NXEZZACHSA-N 454.000 4.847 50 10 JJGE CC(C)(C)OC(=O)N1CC[C@@H]([S@@](C)(=O)=NCC2(CBr)CCCCCC2)C1 2106786753 VXBOOBDOGNEHQS-AKJBCIBTSA-N 451.471 4.829 50 10 JJGE C[C@H]1Cc2cc([C@H](Br)c3nn(C)cc3Br)cc(Br)c2O1 2146617502 ZFBLPBMUQBPNSL-MADCSZMMSA-N 464.983 4.753 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@@H](Br)C(F)(F)CC1 2150503713 ONRCDLIZIMJEFV-SNVBAGLBSA-N 475.953 4.846 50 10 JJGE C[C@@H](CCCCCI)NS(=O)(=O)c1ccc(Cl)c(Br)c1 2174522778 GPTVNUNSYVRBNX-JTQLQIEISA-N 494.620 4.765 50 10 JJGE C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(CBr)cc1Cl 2179796087 ZPDXJZXTDSGXAL-MRXNPFEDSA-N 471.848 4.520 50 10 JJGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@@H]1C 2179816895 UUSQGPLTFWCMHF-JYJNAYRXSA-N 471.486 4.623 50 10 JJGE Cc1sc(CBr)cc1S(=O)(=O)N(C)Cc1cc(Br)cs1 2179820935 DLJSFEZKSIDPDE-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE Brc1ccc([C@H](CI)OC[C@H]2C[C@]23CCCOC3)cc1 2198380623 QNYPOMWCTBZUNO-KBMXLJTQSA-N 451.142 4.759 50 10 JJGE Cc1ccc(-n2c(CCl)nc3cncc(Br)c32)c(I)c1 2240505994 NIVHXMHSJJJQJV-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE CC(C)[C@H]1[C@H](Br)CCN1C(=O)c1ccc(Cl)c(I)c1 2268341725 QKKKULQOFQDTAG-MFKMUULPSA-N 456.549 4.579 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N(CCCBr)C1CCC1 2268347322 KXBIKZUOCMJOHJ-UHFFFAOYSA-N 456.549 4.724 50 10 JJGE COc1ccc([C@@H](Br)c2c(Br)nn(C)c2C)cc1I 2269534743 QYLASAARUMGBMR-GFCCVEGCSA-N 499.972 4.589 50 10 JJGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc(Cl)cc2)cc1OC 2293968643 RDLSJOTYYFCPCA-UHFFFAOYSA-N 477.948 4.669 50 10 JJGE CC(C=NNC(=O)C(=O)Nc1ccccc1I)=Cc1ccc(C(C)C)cc1 2296909359 AIOXXLFDONWDQN-UHFFFAOYSA-N 475.330 4.559 50 10 JJGE CCCC(=O)N1CCN(C(=O)C(C#N)=C2SC=C(c3ccccc3)N2c2ccc(F)cc2)CC1 2297486344 IFBNNTVHZWFEEZ-UHFFFAOYSA-N 476.577 4.584 50 10 JJGE COc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 2297559811 LNFBQFRFXXLIIA-UHFFFAOYSA-N 477.448 4.876 50 10 JJGE BrCC[C@H]1CCCN1Cc1ccc(I)c(Br)c1 2306219383 LMKYVUAUZMBECU-LLVKDONJSA-N 472.990 4.803 50 10 JJGE N#CC(=Cc1cn(CCCOc2ccccc2Cl)c2ccccc12)C(=O)NC[C@@H]1CCCO1 2313623748 CRWBQDNKMFELMG-NRFANRHFSA-N 463.965 4.966 50 10 JJGE BrCc1cccc(OCc2ccc(I)c(Br)c2)n1 2325376841 OGKUKMWUKLZGJK-UHFFFAOYSA-N 482.941 4.923 50 10 JJGE O=C(c1cccc(Br)c1Br)N1[C@H]2CC[C@H](C2)[C@H]1CBr 2330981006 JOVHHEZYFPSJMD-VDDIYKPWSA-N 451.984 4.600 50 10 JJGE Clc1cc(CBr)cc(Cl)c1OCc1ncc(I)cn1 2353071363 MNFGQFKYNWUHEP-UHFFFAOYSA-N 473.923 4.862 50 10 JJGE CC(C)(C)OC(=O)NCC[C@@H]1CCN(C[C@H](Br)C(F)(F)F)[C@@H](C(F)(F)F)C1 2362812577 CORMPEFUEYMGCP-GRYCIOLGSA-N 471.280 4.870 50 10 JJGE COc1ccc(CO[C@](C)(CBr)CNC(=O)OC(C)(C)C)c(C(F)(F)F)c1 2364638468 UAPBASLGHZMRIO-QGZVFWFLSA-N 456.299 4.909 50 10 JJGE C[C@H](Cl)C(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NC[C@@H]2CCCO2)c1 750415 KJTVNZINUVKONE-CVDCTZTESA-N 484.040 4.620 50 10 JJGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cccc(OCCc2ccccc2)c1 10331883 AXRYJNZJCNBDSL-HXUWFJFHSA-N 454.526 4.690 50 10 JJGE O=C(NNC(=S)NC(=O)c1cc(Cl)cc(Cl)c1)c1ccc(OCc2ccccc2)cc1 10506152 VWSNJNSIPMKNBB-UHFFFAOYSA-N 474.369 4.522 50 10 JJGE C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1cc(Cl)ccc1[N+](=O)[O-] 20311348 HYEJSFRBTWSLNS-FRQJIFLKSA-N 453.882 4.745 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2OC)cc1 38656975 NYVFCMIZYRWNGU-AREMUKBSSA-N 486.524 4.930 50 10 JJGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OC)c1OC 38659008 ONMREGNQMKCVMD-VWLOTQADSA-N 486.524 4.930 50 10 JJGE O=C(N/N=C/c1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1)C(F)(F)F 39899596 KYJBPNCDLFKIHY-LIMNOBDPSA-N 457.637 4.725 50 10 JJGE Cc1c(C(=O)NCc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811776 NHLAGFQWCJQGIH-ZXVVBBHZSA-N 480.362 4.751 50 10 JJGE COc1cc(/C=C(\C#N)c2nnc(NC(=O)c3ccccc3)s2)ccc1OC(=O)c1ccco1 83313879 IZVFGYYYOPNEMO-SFQUDFHCSA-N 472.482 4.675 50 10 JJGE CC(=O)OC[C@]12CC[C@@]3(CC[C@@H]4C(C)(C)C[C@@H](Br)C(=O)[C@@]4(C)[C@@H]3C[C@H]1OC(C)=O)C2 85341151 BXYWSXMYOVDBRM-NTABLFTOSA-N 483.443 4.837 50 10 JJGE CCS(=O)(=O)CCCC(CBr)(CBr)c1ccccc1Br 118878963 YNYYXXFJIGZXMV-UHFFFAOYSA-N 491.083 4.692 50 10 JJGE CN([C@@H]1CCCC[C@@H]1Br)S(=O)(=O)c1cc(Br)ccc1Br 158189386 MQYHIVRKHFGDDC-CMPLNLGQSA-N 490.055 4.538 50 10 JJGE COc1ccc(C(=O)Oc2cc(C=NNC(=O)c3ccc(Cl)c(Cl)c3)ccc2OC)cc1 252629626 UKHZZQNFZCUMBH-UHFFFAOYSA-N 473.312 4.994 50 10 JJGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2cccc3ccccc23)cc1 254763686 XYSJZEAECHQWGO-UHFFFAOYSA-N 480.524 4.580 50 10 JJGE CC[C@@H](Br)[C@@H](CC)NC(=O)c1cc(I)ccc1Br 313075001 AXJSECKJERYMJR-ZYHUDNBSSA-N 488.989 4.736 50 10 JJGE CN(Cc1ccccc1[N+](=O)[O-])C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 914728610 CXPACYQTVMMYMR-CPNJWEJPSA-N 474.908 4.591 50 10 JJGE Cc1ccc(C)c(N(CC(=O)NN=Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 1084394245 HTXNRJZXTDSPTE-UHFFFAOYSA-N 490.412 4.956 50 10 JJGE CC(=NNC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1 1084481398 PDCAQJRGORAVHI-UHFFFAOYSA-N 454.845 4.794 50 10 JJGE CC1=C(C(=O)NN=Cc2cccc(Cl)c2)[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 1084601908 QGDGUETZQVWNFK-KRWDZBQOSA-N 453.782 4.590 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682748 WYFAAEGCXKVHFL-DEOSSOPVSA-N 498.514 4.678 50 10 JJGE O=C(CI)Nc1cccc(Nc2ncnc3ccc(Br)cc23)c1 1865947896 YSPYFHZXZCWGGC-UHFFFAOYSA-N 483.107 4.509 50 10 JJGE CC(C)C[C@@H](C(=O)NCC(=O)Nc1ccc(SC#N)cc1)c1cccc(Br)c1 1868160704 KIJFXSQGYMGLSH-LJQANCHMSA-N 460.397 4.907 50 10 JJGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OCc4ccc(F)cc4)cc3)nc2c1 1872727473 CVCIQVBYQQDPKX-XDHOZWIPSA-N 455.445 4.904 50 10 JJGE COc1ccc(CCN2C[C@@H](/C(O)=C(\C#N)c3nc(-c4cccs4)cs3)CC2=O)cc1OC 1872750945 VPEVMUPAQPFCFT-ZOAKPAGHSA-N 481.599 4.773 50 10 JJGE CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCCSSCCNC(=O)OC(C)(C)C 2010826501 CKSWOKSZSQHNJU-ROUUACIJSA-N 477.737 4.908 50 10 JJGE O=C(N[C@@H]1CC[C@H]2C[C@@]21CBr)c1cc(Br)c(Br)s1 2068355847 USHARZKXYMZKKU-PNLAZUSQSA-N 458.013 4.567 50 10 JJGE CC(C)(C)[C@@]1(CBr)CCN(C(=O)c2sccc2I)C1 2104654754 UIIIPAWOSPIILD-CQSZACIVSA-N 456.187 4.626 50 10 JJGE O=C(NCc1c(Br)cccc1Br)[C@@H](Br)C1CCCC1 2110726405 CVYWEZPNVQVREP-ZDUSSCGKSA-N 454.000 4.782 50 10 JJGE CC1(C)CO[C@@H](CBr)CN1Cc1c(Br)cccc1Br 2111216522 AGVHCTKGKITVTQ-JTQLQIEISA-N 456.016 4.586 50 10 JJGE CC(C)[C@H](Br)c1cn(Cc2cc(Br)ccc2Br)nn1 2121065624 GEAQWOVNPHSICE-ZDUSSCGKSA-N 451.988 4.943 50 10 JJGE COc1ccc([C@H](Br)c2c(C)nn(C)c2Br)c(Br)c1 2129266670 ZVZBZQBGKPQOFJ-LBPRGKRZSA-N 452.972 4.746 50 10 JJGE CC(C)(C)OC(=O)N1CC[S@](=O)(=NCC2(CBr)CCCCC2)C(C)(C)C1 2132805299 VEQRYJDTBVSRQT-AREMUKBSSA-N 451.471 4.829 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@H](Br)[C@H]2CC[C@H]21 2133723431 POTLZWVZRLVQRF-VDDIYKPWSA-N 451.984 4.600 50 10 JJGE O=S(=O)(N[C@@H](CBr)c1cccs1)c1ccc(Cl)c(Br)c1 2175668505 DRUFTXYXDVXOSM-NSHDSACASA-N 459.612 4.579 50 10 JJGE O=C(NC[C@@]12CCC[C@@]1(CBr)C2)c1ccc(I)c(Cl)c1 2208039162 JGFABWCODKSDCB-GJZGRUSLSA-N 468.560 4.630 50 10 JJGE CC(C)(C)CCN(CCBr)C(=O)c1cc(I)ccc1F 2289885141 FCFSCEBAELZJKY-UHFFFAOYSA-N 456.137 4.704 50 10 JJGE O=S1(=O)CC[C@@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299492623 IQDWKOHROZKWHO-KDOFPFPSSA-N 474.214 4.899 50 10 JJGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314593178 ISGDPEPTDBLPHX-XMMPIXPASA-N 471.582 4.948 50 10 JJGE COc1cc(C=C(C#N)c2ccccc2OC)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2320506067 AYPVLNOHXXXTBV-UHFFFAOYSA-N 475.413 4.804 50 10 JJGE COc1cc(C=NNC(=O)c2ccccc2Cl)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 2323078646 GGMGQQMFSSJDHZ-UHFFFAOYSA-N 453.882 4.908 50 10 JJGE Cc1ccc(COc2ccccc2C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1 2328804057 SHEGSPXAFBZDFM-UHFFFAOYSA-N 456.498 4.518 50 10 JJGE CCCO[C@@H]1[C@@H](Br)C[C@@H]1OCc1ccc(Cl)cc1I 2340110894 VQFYMPRSMRIMQJ-FPMFFAJLSA-N 459.549 4.792 50 10 JJGE Cc1ccc(I)c(C(=O)N(C[C@@H](C)Br)C2CCCC2)c1 2368839740 CINFZUPQQXQTEL-GFCCVEGCSA-N 450.158 4.768 50 10 JJGE CCn1nc(Br)c(C[C@H](CBr)Cc2ccccc2Br)n1 2379920443 UXKWQOWICXIJTG-SNVBAGLBSA-N 466.015 4.619 50 10 JJGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)COc1ccc(C)cc1Br 10683459 DDRCWZQVBNRMGO-APWZRJJASA-N 477.399 4.655 50 10 JJGE C=CCOc1ccccc1C(=O)NNC(=O)c1cc(Br)ccc1OCCC(C)C 14650801 SVJFANMHCMXBJM-UHFFFAOYSA-N 461.356 4.514 50 10 JJGE CCCOc1ccccc1C(=O)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 14665608 QCXMQSPYNXMQIH-UHFFFAOYSA-N 497.389 4.934 50 10 JJGE CC(=O)C1=C(C)NC(SCCCN2C(=O)c3ccccc3C2=O)=C(C#N)[C@@H]1c1sccc1C 20426875 LJTDEOIAWGQCFN-NRFANRHFSA-N 477.611 4.761 50 10 JJGE Cc1ccccc1NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1 23633895 GVMKJVXPVMDEFQ-UHFFFAOYSA-N 466.335 4.539 50 10 JJGE Cc1c(C(=O)NCc2ccco2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813717 AIQHOWUTDNFCHV-YZSQISJMSA-N 460.317 4.888 50 10 JJGE Cc1cccc(-n2c(C)cc(/C=C(/C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)c2C)c1 96669548 OCDQGQQGPMXLFC-MOHJPFBDSA-N 464.573 4.884 50 10 JJGE COCCOCCC(CBr)(CBr)c1ccccc1Br 118672013 ALFXYRBNCWFARI-UHFFFAOYSA-N 459.016 4.530 50 10 JJGE COc1cc(/C=N\NC(=O)c2ccccc2Cl)cc([N+](=O)[O-])c1OCc1cccc(C)c1 169886082 ZKOXYYJXVYLOEQ-MXAYSNPKSA-N 453.882 4.908 50 10 JJGE C[C@H](Br)C(=O)Nc1c(Br)cc(Br)cc1Br 235445491 NGECVHWBAKDKMF-BYPYZUCNSA-N 464.777 4.696 50 10 JJGE CC(=NNC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccccc2)c1 254347606 JLFXIUBUBCMQMS-UHFFFAOYSA-N 462.531 4.621 50 10 JJGE O=C1[C@H]2C[C@@H]3[C@@H](C[C@H]2[C@H]2CC[C@@H](Br)C[C@@H]12)C(=O)[C@@H]1C[C@H](Br)CC[C@H]31 256990185 YSGZBGHGHPNQLU-TXSAWVTMSA-N 458.234 4.770 50 10 JJGE O=C(NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1cccc(Cl)c1 1083984672 UWSZTSCGBAWYPC-UHFFFAOYSA-N 486.728 4.923 50 10 JJGE C[C@H](Oc1ccc(Br)cc1)C(=O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1084087063 XDVXDVWFOBCAAQ-ZDUSSCGKSA-N 458.268 4.535 50 10 JJGE CC(=NNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 1084237762 ZMFDPTLJSXNWDB-UHFFFAOYSA-N 493.482 4.580 50 10 JJGE C#CCCc1c(Br)cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)cc1OC 1084555196 LSAKBUOZKFSIOM-UHFFFAOYSA-N 484.177 4.859 50 10 JJGE CCCN1C(=O)C(=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2cc(OC)ccc21 1772720366 KZVBJDNYGSMXSD-UHFFFAOYSA-N 464.525 4.801 50 10 JJGE Cc1c(C(=O)Nc2nccs2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749180 IMNUDUQESAMBPH-UHFFFAOYSA-N 493.372 4.839 50 10 JJGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1ccc(Br)cc1 1865693100 LDPOCDDMUYFSOU-FQEVSTJZSA-N 495.377 4.823 50 10 JJGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1Cl 1865693122 LJXDBWVJWBXFDW-NRFANRHFSA-N 450.926 4.850 50 10 JJGE CCOC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1NC(=O)/C(C#N)=C/c1cccc(F)c1 1866131166 GUDVKVILGHOLFJ-LFIBNONCSA-N 497.324 4.805 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)Cc2cc(-c3ccccc3)on2)cc1 1866909476 ICKZDGQQSLAZRU-DEOSSOPVSA-N 482.565 4.823 50 10 JJGE COc1cc(/C=N/NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccc(C)cc1 1873499313 PLCYADKQOHQPHI-MGZHSMRGSA-N 481.593 4.680 50 10 JJGE COc1c(Cl)cc(CC[C@@H](Br)CN2C(=O)c3ccccc3C2=O)cc1Cl 1901611711 XBZQNSFHQNJLBP-GFCCVEGCSA-N 457.151 4.994 50 10 JJGE Cc1sc(Br)cc1S(=O)(=O)N(Cc1ccccc1)[C@H](C)CBr 1914352265 DTYGUZHOOJZSSV-LLVKDONJSA-N 467.248 4.793 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 1985347763 YHLKULLKXMHLPE-IRXDYDNUSA-N 463.710 4.566 50 10 JJGE FC(F)c1cc(I)cc(CBr)c1I 2060239611 BPAVNFBGCVBGKT-UHFFFAOYSA-N 472.836 4.728 50 10 JJGE O=C(CBr)c1cc(I)cc(C(F)F)c1OC(F)(F)F 2060380928 VFUAOLKSISWVRM-UHFFFAOYSA-N 458.946 4.705 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@@H]2CC(Br)C[C@H]2C1 2065403638 OROJHECBROUWFH-BQBZGAKWSA-N 458.013 4.519 50 10 JJGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)N1CCCC[C@@H]1CBr 2123231523 FSYFGBBHNOAMSO-FUHWJXTLSA-N 457.459 4.806 50 10 JJGE CN([C@@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Cl)c1 2123270476 NGPXLAVTXSVVFQ-RTBURBONSA-N 458.805 4.603 50 10 JJGE C[C@@H](c1cc(Br)cs1)N(C)S(=O)(=O)c1ccsc1CBr 2186573476 NPJFDZYNLIBUHR-QMMMGPOBSA-N 459.250 4.849 50 10 JJGE Brc1ccc([C@H](CI)OC[C@@H]2CC23CCOCC3)cc1 2198367157 RBDIHLCEXAVZFJ-ZFWWWQNUSA-N 451.142 4.759 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@@H](Cl)C2)c1ccc(I)c(Br)c1 2204574067 KORCGRGPDHSXNY-JDVFRBCBSA-N 468.560 4.580 50 10 JJGE Cc1ccc(I)c(C(=O)NC[C@@H](CBr)CC(C)(C)C)c1 2240911526 FICRARJBLHVLME-GFCCVEGCSA-N 452.174 4.777 50 10 JJGE Cl[C@@H]1C[C@H]2CCCC[C@H]2N(c2ncc(I)cc2Br)C1 2264953298 IWWUKUNWJGGPIA-GIPNMCIBSA-N 455.565 4.825 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CCC[C@@H]1CCCBr 2268342950 HWBQMROBGXEVEL-NSHDSACASA-N 456.549 4.724 50 10 JJGE CCC[C@H]1CN(C(=O)c2ccc(Cl)c(I)c2)C[C@H]1CBr 2283667635 VPIKDRNPEPJLKS-NWDGAFQWSA-N 470.576 4.828 50 10 JJGE O=C(CSc1nnc(SCc2ccccc2Cl)s1)NN=CC=Cc1ccco1 2293738403 UUBDLHOAEGVJJB-UHFFFAOYSA-N 450.998 4.984 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@H]1CCCC[C@@H]1Br 2295316149 UVRWELNKPQHYDZ-RISCZKNCSA-N 468.027 4.824 50 10 JJGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3Cl)nc3ccccn3c2=O)cc1 2296543483 GDASGNYLVMKKBO-UHFFFAOYSA-N 472.888 4.694 50 10 JJGE COc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](C)CBr)c(Br)c1 2301107896 ZMVLLTSTSNYPSZ-AWEZNQCLSA-N 455.190 4.812 50 10 JJGE Cc1ccc(Br)c(C(=O)N[C@H](CCBr)COCc2ccccc2)c1 2303539795 OWIUQJIFLOVQPI-MRXNPFEDSA-N 455.190 4.858 50 10 JJGE CC(C)CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)CC(C)(C)CI 2306810185 QSMAQQHTMVVHPR-MRXNPFEDSA-N 452.421 4.805 50 10 JJGE CC(C)Oc1c(Br)cc(C=NNC(=O)Cc2ccccc2)cc1Br 2323331461 HLEZLFXFPFHGHL-UHFFFAOYSA-N 454.162 4.692 50 10 JJGE CCC(=CC(=O)N[C@@H](CCSC)C(=O)Nc1ccc(SC#N)cc1)c1ccc(OC)cc1 2329563096 ZGOXHMQGXJFLOC-QFIPXVFZSA-N 469.632 4.938 50 10 JJGE CC(C)CCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C(C)C)cc1 9231644 XDYJXAVRACAQKQ-UHFFFAOYSA-N 477.399 4.837 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(F)cc2F)c(C)n1-c1ccc(F)cc1 11459015 FJYVRTJXORQINY-LICLKQGHSA-N 453.420 4.600 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1 13976398 FYOOEOVQXMMZGP-UHFFFAOYSA-N 476.023 4.567 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCCC)cc2)cc1 14030227 MKQGRBAYICJQRR-UHFFFAOYSA-N 471.623 4.774 50 10 JJGE CCCOc1ccccc1C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1Br 14642273 LEKCDSCYCUEVPZ-UHFFFAOYSA-N 483.362 4.745 50 10 JJGE CCOC(=O)COc1ccc(Br)cc1/C=C(/C#N)c1nc2cc(C)c(C)cc2[nH]1 33477659 OWCLKZWNDJLMIA-SXGWCWSVSA-N 454.324 4.948 50 10 JJGE CCCCCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OC 96438957 VNOWZQSLEUBYEU-GDNBJRDFSA-N 489.981 4.710 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 98083739 CTXAWOAKMNDQQV-HNNXBMFYSA-N 461.787 4.671 50 10 JJGE CCn1c(=O)oc2cc([C@H](Br)c3cccc(I)c3)ccc21 109880495 VSWHECIXVYXZCG-OAHLLOKOSA-N 458.093 4.703 50 10 JJGE CO[C@@H]1O[C@H](CO[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 197198393 UIDVFSCIFIMDHO-ICBNADEASA-N 482.915 4.870 50 10 JJGE biogenic CCc1ccc(NC(=O)C(=O)NN=Cc2c(OC(=O)c3ccc(OC)cc3)ccc3ccccc23)cc1 254394605 FYAJHRYLFBJIOZ-UHFFFAOYSA-N 495.535 4.719 50 10 JJGE CCN(CC)c1ccc(C=NNC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)c(O)c1 254833230 CMOINSBCLQWLDQ-UHFFFAOYSA-N 453.546 4.644 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@@H](c2ccc(Br)cn2)C1 382708086 VLFHMQUYZUAWOT-HOCLYGCPSA-N 454.162 4.591 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H]2CC[C@@H](Cl)[C@H]1C2 721563098 VCHIJEDXBXCNER-GAJTVXKRSA-N 468.560 4.676 50 10 JJGE C[C@@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)C(=O)Nc1cccc(Cl)c1 761380726 CNIQWISGYGVESW-MCRQTXEHSA-N 473.920 4.595 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)NC[C@H](c2ccco2)N2CCCC2)c(-c2ccc(Cl)cc2)n1 834677012 CFGHDRAWUCLMDF-HVQRGMKJSA-N 488.979 4.570 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 1084196177 RPZWYVSKDOLWFJ-XMMPIXPASA-N 480.536 4.776 50 10 JJGE C=CC[C@@]1(C(=O)NNc2ccc(Cl)c(Br)c2)CCCN1C(=O)OC(C)(C)C 1639215102 OREVIZAMIRMNCF-IBGZPJMESA-N 458.784 4.891 50 10 JJGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772749175 XUWMCRZWVMHZOT-UHFFFAOYSA-N 485.028 4.751 50 10 JJGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccncc2)C(C#N)=C(N)O3)cc1 1865702166 ONECTLGBVQPZDL-NRFANRHFSA-N 455.905 4.814 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)c1OCc1cccc(C)c1 1865705521 XYYSAJVOOAIPPY-VWLOTQADSA-N 479.540 4.690 50 10 JJGE O=C(CCBr)Nc1cc(Br)c(Br)c(Br)c1 1931648618 ADBSEJFZLFKOAM-UHFFFAOYSA-N 464.777 4.698 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H](CBr)C2(CC2)C1 2027533926 AENXTQTVLLPYIQ-ZETCQYMHSA-N 458.013 4.520 50 10 JJGE O=S(=O)(c1ccc(CCl)c(Br)c1)N(Cc1ccccc1)CC(F)(F)F 2034735393 RJMGTBGANUTQNK-UHFFFAOYSA-N 456.711 4.941 50 10 JJGE Brc1cc([C@H](Br)[C@@H]2CCn3ncnc3C2)c(Br)s1 2046630141 KZIWAUIEQUZKSO-LHLIQPBNSA-N 456.001 4.563 50 10 JJGE FC(F)(F)c1ccc(I)c(I)c1CBr 2060236164 PVQPTPBEKOEJIY-UHFFFAOYSA-N 490.826 4.810 50 10 JJGE C[C@@]1(CCBr)CCN(C(=O)c2csc(Br)c2Br)C1 2068155012 LTSGMEAZZZMEDW-GFCCVEGCSA-N 460.029 4.910 50 10 JJGE Cc1c(Br)c(COc2cc(Br)ccc2CBr)nn1C 2093829915 UOVLVGLUOXPRFT-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@H]2C[C@@H](Br)C[C@H]1C2 2094090511 IEKDEJVLRJBCRD-IVZWLZJFSA-N 451.984 4.600 50 10 JJGE CC(C)(C)OC(=O)N1CC[C@H]([S@](C)(=O)=NCC2(CBr)CCCCCC2)C1 2106786755 VXBOOBDOGNEHQS-QMTYFTJSSA-N 451.471 4.829 50 10 JJGE COCCCN(Cc1ccccc1)S(=O)(=O)c1cc(F)c(Cl)c(CBr)c1 2123266857 AIMOLNTXJWSHJK-UHFFFAOYSA-N 464.784 4.601 50 10 JJGE O=S(=O)(c1ccc(Cl)c(CBr)c1)N1CCC[C@@H](OCc2ccccc2)C1 2129814248 LPLPDNSPHUVUOT-QGZVFWFLSA-N 458.805 4.605 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@H](CBr)C12CC2 2133830921 KSNYSNHQKUJCNA-SECBINFHSA-N 451.984 4.601 50 10 JJGE Cc1cnn(C)c1CC(CBr)(CBr)c1cccc(Br)c1 2154341965 UUFQTVIWNLHRTN-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE CN(C(=O)c1ccc(Br)cc1Br)C1(CBr)CCSCC1 2171181545 GVIRSFGRYLVDLK-UHFFFAOYSA-N 486.067 4.944 50 10 JJGE CC(C)(C)OC(=O)NCC1CC([S@@](C)(=O)=NC[C@H](CBr)c2ccccc2)C1 2192628662 ZBRBKYQCCQHBRR-GQIFPYELSA-N 459.450 4.566 50 10 JJGE Cc1cc(C(=O)N[C@@]2(CBr)CCC[C@H](C)C2)ccc1I 2207107617 RPYBEGZCFWBAAW-ZBEGNZNMSA-N 450.158 4.673 50 10 JJGE O=C(N[C@@H](CCl)c1ccccc1)c1ccc(Br)cc1I 2207268644 MRIFCVOUJPLKNP-AWEZNQCLSA-N 464.528 4.764 50 10 JJGE Cn1nc(Br)c([C@H](Br)c2cc(Br)c(Cl)cc2F)n1 2219797446 BOXZQJUSCXVAFY-MRVPVSSYSA-N 462.342 4.617 50 10 JJGE CC1(C)CC[C@@H](CBr)N1C(=O)c1ccc(Cl)c(I)c1 2268346737 RKYWPMGWFAKCSN-JTQLQIEISA-N 456.549 4.723 50 10 JJGE CCCN(C[C@H](C)Br)C(=O)Cc1cc(Br)cc(Br)c1 2277928920 PXJJQVOOPRAWRO-JTQLQIEISA-N 456.016 4.776 50 10 JJGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2CCn3nccc3C2)c1 2295346103 VJXCVOKRNJOFFB-ABAIWWIYSA-N 463.011 4.977 50 10 JJGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc(Cl)s2)cc1 2297296474 HALYYCFLNUTNBI-UHFFFAOYSA-N 453.951 4.721 50 10 JJGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314592844 CUEAPBKFMJIRSD-RUZDIDTESA-N 483.593 4.828 50 10 JJGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccccc2C(C)(C)C)c(OCC)c1 2314735811 DYBCOWRYYJKKGD-UHFFFAOYSA-N 451.519 4.837 50 10 JJGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2OCCO[C@@H]2C)c1Br 2365190813 IRIFNMCVCPEIQQ-WLTAIBSBSA-N 472.999 4.769 50 10 JJGE CN(CC[C@@H](Br)c1cccs1)S(=O)(=O)c1cscc1Br 2366229831 KMWPZUBRKZYVHC-SECBINFHSA-N 459.250 4.719 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)ccc1OC(=O)c1cccs1 8557877 OBMGVWQNYSXAPQ-NRFANRHFSA-N 484.537 4.893 50 10 JJGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1sc2ccccc2c1Cl 13979594 BZFSNRABMJEMDM-UHFFFAOYSA-N 474.163 4.811 50 10 JJGE N#C/C(=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 33930215 KSRHLHWUHYYCJT-YBEGLDIGSA-N 492.831 4.921 50 10 JJGE CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)c1C 34745199 PYCOJZSTCMWODC-UQQQWYQISA-N 455.558 4.871 50 10 JJGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1OCC 38650563 STUGPVGFFAAYJV-RUZDIDTESA-N 456.498 4.921 50 10 JJGE Cc1ccc(OCCCC(=O)N/N=C/c2cccc(Br)c2)c(Br)c1 40951101 HVJAUCXVTZBATA-CIAFOILYSA-N 454.162 4.829 50 10 JJGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)ccc1OCc1ccccc1 58892467 MEFIPBWAXWOVPT-JMTCZITHSA-N 467.363 4.992 50 10 JJGE CCn1c(=O)oc2cc([C@@H](Br)c3csc(I)c3)ccc21 124429416 HMQXQEUSYIHYBA-CYBMUJFWSA-N 464.122 4.765 50 10 JJGE CCCCOc1ccc(/C=N\NC(=O)c2ccc(Nc3nc4ccccc4c(=O)[nH]3)cc2)cc1 169927871 LWWHKTITHSUOOC-PKAZHMFMSA-N 455.518 4.610 50 10 JJGE O=C(N/N=C\c1c(Cl)cccc1Cl)c1ccc(Nc2nc3ccccc3c(=O)[nH]2)cc1 169927967 KGGGZAVDLSPPPU-ROTLSHHCSA-N 452.301 4.737 50 10 JJGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2ccc(N)nc2=O)C[C@@H]1O[Si](C)(C)C(C)(C)C 195813603 CKWHPVGBUBYJIT-XYJFISCASA-N 455.748 4.525 50 10 JJGE in-vitro COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1 206395049 POZVGZKLUGXRMP-WZWYAIDGSA-N 468.509 4.546 50 10 JJGE O=C(N[C@@H]1CCCCC[C@@H]1Cl)c1cc(Br)ccc1I 236025199 MZRDXGWQAQJFST-WCQYABFASA-N 456.549 4.724 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CCl)[C@H](c2ccc(I)cc2)C1 382682952 FLCLGMZLNMLBMR-AEFFLSMTSA-N 455.723 4.882 50 10 JJGE C[C@H]1CCCN(C(=O)c2ccc(I)c(Cl)c2)[C@H]1CBr 688677687 CLKPORGLPWDLRS-ZANVPECISA-N 456.549 4.580 50 10 JJGE C[C@H](NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C1(CBr)CC1 696078531 GWVLYRVQSBAHGL-ZETCQYMHSA-N 466.022 4.598 50 10 JJGE O=C(N[C@H]1CCC[C@@H](CCl)C1)c1ccc(I)c(Br)c1 721620305 OAAKRBZSBMLQNK-KOLCDFICSA-N 456.549 4.581 50 10 JJGE O=C(COc1ccc(Br)cc1Br)NN=Cc1ccc2ccccc2c1 1084011128 IJMMBNJCQIXSTQ-UHFFFAOYSA-N 462.141 4.894 50 10 JJGE Cc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(Br)cc1 1084242484 FFZKTZDTZFHJMQ-JOCHJYFZSA-N 454.368 4.821 50 10 JJGE C/C(=C/C(=O)NNC(=O)[C@@H](C)Oc1c(C)cc(Cl)cc1C)c1ccccc1OC(F)F 1538419710 SPKYKUSGCZIPGO-QYMJWVLRSA-N 452.885 4.576 50 10 JJGE COc1cc(/C=C(\C#N)c2ccccc2OC)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1615065964 AYPVLNOHXXXTBV-RQZCQDPDSA-N 475.413 4.804 50 10 JJGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772748744 DHSIBNACFGIITI-UHFFFAOYSA-N 496.361 4.838 50 10 JJGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OC)c(O)c1)C(C#N)=C(N)O2 1865682860 ZAVBSHMMGWUAMT-FQEVSTJZSA-N 471.344 4.733 50 10 JJGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865698378 RRHOZHCLZZVZEZ-NRFANRHFSA-N 469.328 4.536 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1cccc([N+](=O)[O-])c1 1865706270 RWEHQRGFFLBBPL-INIZCTEOSA-N 493.804 4.869 50 10 JJGE CC[C@@H](NC(=O)CCc1nc(-c2ccc(OC)cc2)cs1)C(=O)Nc1ccc(SC#N)cc1 1867070927 ICFBLHKFOWFQJS-HXUWFJFHSA-N 480.615 4.858 50 10 JJGE CCCC[C@@H](NC(=O)c1cc(-c2cccc(OC)c2)on1)C(=O)Nc1ccc(SC#N)cc1 1867143261 FGXDEIYIZPQFKV-HXUWFJFHSA-N 464.547 4.851 50 10 JJGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccccc4C3=O)n2)c(OCC)c1 1872755209 CUYHWTQXYMTMOJ-VZCXRCSSSA-N 475.526 4.696 50 10 JJGE C[C@H]1C[C@@H](Br)CCN(C(=O)c2cc(Br)c(Br)s2)C1 2041566440 KJBQHEDMMOQADQ-YUMQZZPRSA-N 460.029 4.909 50 10 JJGE C[C@H]1CN(C(=O)c2scc(Br)c2Br)CC[C@@H]1CBr 2046673219 SBMPZLWPQDFCDV-JGVFFNPUSA-N 460.029 4.766 50 10 JJGE C[C@H](Br)[C@@H](NC(=O)c1cc(Br)sc1Br)C(F)(F)F 2074717212 RHMAUUBBCQKMKW-BBIVZNJYSA-N 473.934 4.717 50 10 JJGE C[C@]1(CBr)CC(F)(F)CN1C(=O)c1csc(Br)c1Br 2102795131 OJRVMHXTQQYTAX-SNVBAGLBSA-N 481.982 4.908 50 10 JJGE COc1ccc([C@H](Br)c2c(C)nn(C)c2Br)cc1Br 2129265245 JZPQFEMAQONBCY-LBPRGKRZSA-N 452.972 4.746 50 10 JJGE BrCC(CBr)(C[C@H]1COCCCO1)c1ccccc1Br 2154008057 BSUISBNHYQLSMB-LBPRGKRZSA-N 471.027 4.672 50 10 JJGE O=S(=O)(c1cc(Cl)cc(CBr)c1Cl)N1CCCN(Cc2ccccc2)CC1 2179862101 QYFNUBDRJMHKSA-UHFFFAOYSA-N 492.266 4.785 50 10 JJGE CC(C)(C)OC(=O)N1CCN(C[C@@H](CBr)c2ccccc2)C[C@H]1C(F)(F)F 2186713931 ARUMJSHMVQNSKO-CVEARBPZSA-N 451.327 4.649 50 10 JJGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 2227670306 OGPCXYLOSTUIHN-CYBMUJFWSA-N 452.292 4.560 50 10 JJGE C[C@H]1CN(C(=O)c2ccc(Cl)c(I)c2)CC[C@@H]1CCBr 2283663288 FVQYFUZQUYIMNO-QWRGUYRKSA-N 470.576 4.828 50 10 JJGE COc1ccc(C=C(C#N)C(=O)Nc2sccc2C#N)cc1COc1ccc([N+](=O)[O-])cc1 2295680564 AECLAHJOXVIKBE-UHFFFAOYSA-N 460.471 4.661 50 10 JJGE CCc1nc(C(=O)N[C@@H](CCBr)COCc2ccccc2)c(Br)s1 2303544283 AULMCAKWGJLGMO-ZDUSSCGKSA-N 476.234 4.568 50 10 JJGE CC(C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)OCO3)cs1)N1C(=O)c2ccccc2C1=O 2331333847 IGXYCHSAWBHXCT-NRFANRHFSA-N 473.510 4.652 50 10 JJGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)CNS(=O)(=O)c2ccc(C)cc2)n1 2331393845 ZARRZORYJFOTQL-UHFFFAOYSA-N 490.006 4.860 50 10 JJGE CC(C)(C)OC(=O)N1CCC(C2CCN(C[C@]3(CBr)CC3(F)F)CC2)CC1 2379986079 XOTAOMHMFHNGCF-LJQANCHMSA-N 451.396 4.766 50 10 JJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OCC)c(OC)c2)sc2c1CCCC2 1959311 MXGHSJWWJXSXFY-VBKFSLOCSA-N 454.548 4.757 50 10 JJGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C)cc3)nc3c(C)cccn3c2=O)cc1 33561136 OKFCPBRPVMNOCQ-HKWRFOASSA-N 450.498 4.958 50 10 JJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)c1 38659817 WPPJFHSOCRZSIO-RUZDIDTESA-N 492.915 4.560 50 10 JJGE CCOc1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1 58976374 AYBFQYJBRBYMBQ-PXLXIMEGSA-N 463.511 4.651 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)CSCc3ccc(Cl)cc3)cc2)cc1 59161267 IFGKLSTUZPUPFX-AFUMVMLFSA-N 489.018 4.800 50 10 JJGE CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)N(C)c3ccccc3)c2C)cc1 96445787 PCWSRFHRIASKAF-VLZCYVRTSA-N 471.557 4.995 50 10 JJGE CC(=NNC(=O)c1ccncc1)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 254379017 JSXBHYNKUPXSBU-QGZVFWFLSA-N 450.926 4.603 50 10 JJGE Cc1cc(O)c(C)c(O)c1C=NNC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1[N+](=O)[O-] 254447009 AJQOZRMVABIZOQ-UHFFFAOYSA-N 471.554 4.866 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2ccc(CC)cc2)cc1 254752766 PAUBNBZQHZYYLX-UHFFFAOYSA-N 495.583 4.979 50 10 JJGE C[C@H]1C[C@H](CBr)CN(C(=O)c2cc(Br)c(Br)s2)C1 398704511 UVRNIFCVMXHQLD-JGVFFNPUSA-N 460.029 4.766 50 10 JJGE C[C@H](CCl)[C@H]1CCCCN1C(=O)c1cc(Br)ccc1I 696716289 WWQKABKBYKYGLK-QMTHXVAHSA-N 470.576 4.923 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@H]2CC[C@H](Br)[C@H]1C2 721567187 RNLFNDYVHRELFX-BIGNPOOSSA-N 466.011 4.990 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)cc1 725381358 YWFBVAMXQQJBEQ-NRFANRHFSA-N 470.909 4.661 50 10 JJGE O=C(COc1ccc(Cl)cc1Cl)NN=C1C(=O)N(Cc2ccccc2F)c2ccccc21 1083871231 HTQXUKLUEJYKCG-UHFFFAOYSA-N 472.303 4.579 50 10 JJGE COc1ccc(OC)c(C=NNC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c1Br 1084038141 DENWLOXGYJZKQS-YGRLFVJLSA-N 450.160 4.508 50 10 JJGE CC(CCc1ccccc1)=NNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 1084328779 WOHHFINEVCXQBZ-UHFFFAOYSA-N 469.994 4.660 50 10 JJGE Cc1ccc(C(=O)N[C@@H]2Cc3ccccc3C2=NNC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 1088698691 QAKPRPDFKFBBAW-OAQYLSRUSA-N 482.462 4.774 50 10 JJGE C=CCC1(C(=O)NNC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)CCCC1 1558899361 AZNHCGVMJRVJGE-UHFFFAOYSA-N 459.546 4.817 50 10 JJGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)c1 1772745203 TYZXSZIJOWKHBW-UHFFFAOYSA-N 461.474 4.803 50 10 JJGE O=C(NN=C1C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21)c1ccccc1 1772752393 DUKFBPCLQAGAKJ-UHFFFAOYSA-N 468.738 4.783 50 10 JJGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865695123 KKAPMQIGOLZCTN-QHCPKHFHSA-N 462.525 4.648 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccccn1 1865700507 VWFWYNJBAXVWTP-OAHLLOKOSA-N 466.250 4.870 50 10 JJGE COCCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)C)n2)C[C@H]1C 1868231377 FIGZLPWKHVIBAI-KDURUIRLSA-N 454.644 4.852 50 10 JJGE Cc1c([N+](=O)[O-])cc(/C(O)=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1[N+](=O)[O-] 1872746881 DDPMMKUKYKNJAA-JXAWBTAJSA-N 453.392 4.793 50 10 JJGE CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)c1ncc(Br)cc1Br 1880056190 UYTRTTPKCBBGIK-UHFFFAOYSA-N 467.158 4.788 50 10 JJGE Cc1nc(I)c(I)n1-c1ccc(CCl)c(Cl)c1 1941552519 LRLJMPHHBWUVMF-UHFFFAOYSA-N 492.913 4.782 50 10 JJGE C[C@H]1C[C@H](NCCSSCCNC(=O)OC(C)(C)C)[C@H](C)CN1C(=O)OC(C)(C)C 1985349790 GGINCOOANDOPSH-IKGGRYGDSA-N 463.710 4.516 50 10 JJGE Cn1nc(CC(CBr)(CBr)C2CCC2)c(Br)c1Cl 2035488904 YAZORUGYGVVRQZ-UHFFFAOYSA-N 463.439 4.955 50 10 JJGE C[C@H](NC(=O)c1cc(Br)cc(Br)c1)[C@H]1CCC[C@H]1Br 2111559070 VIFITJDTVHAXSZ-ZEGGKSINSA-N 454.000 4.894 50 10 JJGE CCN(C[C@@](C)(CI)OCCCN1CCCCCC1)C(=O)OC(C)(C)C 2119263678 KJLWKEVOBPSOSY-HXUWFJFHSA-N 482.447 4.720 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CN(CC2(CBr)CCCCC2)C[C@H]1C(F)(F)F 2163058088 HSVSLPYGTUIINH-HUUCEWRRSA-N 457.375 4.967 50 10 JJGE C[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2179833269 AVEAPSAFQLENOA-AWEZNQCLSA-N 492.266 4.783 50 10 JJGE Cc1cc(Br)c(CN(C)S(=O)(=O)c2cc(CBr)cs2)s1 2237718041 XCYFMGGHEUTSFD-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE CN(Cc1cccc(I)c1)c1cc(CBr)sc1[N+](=O)[O-] 2280256874 HVHBQVXKPZOWGN-UHFFFAOYSA-N 467.126 4.792 50 10 JJGE CCOC(=O)C(C#N)=C1S[C@@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(C)cc1 2293039080 AOAMTNHLIFEAIC-IBGZPJMESA-N 471.376 4.747 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2sccc2C(=O)OC(C)C)cc(Br)c1O 2295669941 PAIWMFOQEHLKSE-UHFFFAOYSA-N 479.352 4.726 50 10 JJGE COc1cccc(C2(c3cccc(OC)c3)C[C@@H]2C(=O)NN=Cc2ccc(Br)cc2)c1 2297509670 VAGGBUVYDBECHR-HSZRJFAPSA-N 479.374 4.923 50 10 JJGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593399 MJDCKGLBZWPABX-RUZDIDTESA-N 483.593 4.746 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1cc(C)cc(C)c1C 2314737176 PVMCZIXKLZECBC-UHFFFAOYSA-N 484.552 4.828 50 10 JJGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NCCC)c(=O)oc3c2)cc1 2314750918 DLPPGFJAQRLDEI-UHFFFAOYSA-N 474.513 4.624 50 10 JJGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1cc(Cl)ccc1Cl 2320392460 LVJXHXYYIJRXIZ-HNNXBMFYSA-N 467.212 4.642 50 10 JJGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3cccs3)cs2)CC1=O 2331326464 HOTIEQLCAWEMPM-CYBMUJFWSA-N 451.529 4.504 50 10 JJGE C[C@H](Br)CN(C(=O)c1c(F)cccc1I)C1CCCC1 2368842134 OBEIEOLACMYBNW-JTQLQIEISA-N 454.121 4.599 50 10 JJGE CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 9873706 AFJXOYRFXVIPDP-MOPGFXCFSA-N 459.546 4.681 50 10 JJGE O=C(/C=C/c1ccccc1Cl)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 13981388 GYZZOAXKIGKXQQ-JXMROGBWSA-N 486.808 4.541 50 10 JJGE CCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 14029516 UMIUBXYIPLIJSV-UHFFFAOYSA-N 477.399 4.982 50 10 JJGE COc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813467 IAIQGDIEZOBDJM-WPWMEQJKSA-N 496.907 4.881 50 10 JJGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)N4c5ccccc5C[C@@H]4C)c(C)c32)cc1 40813818 VAMHSLYOLXHZGO-KZGYCHBNSA-N 457.530 4.658 50 10 JJGE COC1=C/C(=C/C(C#N)=C2\NC(c3cc4c(ccc5ccccc54)oc3=O)=CS2)C=CC1=O 137837707 KOCPWHMUECUODA-FEJIYUKPSA-N 452.491 4.912 50 10 JJGE O=C(NC[C@H]1CCCC[C@@H]1Br)c1cc(Br)sc1Br 232458391 RPBLCLAUGOYBJK-APPZFPTMSA-N 460.029 4.957 50 10 JJGE CCOc1ccccc1C=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1CC 254866922 XBPBPNLOPBHJNF-UHFFFAOYSA-N 465.623 4.904 50 10 JJGE CCCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc1OCC 256028485 PITHCGHWPMDTMF-UHFFFAOYSA-N 456.593 4.635 50 10 JJGE O=S(=O)(Nc1ccc(Br)c(I)c1)c1cccc(CCl)c1 380240435 MKXMTXXEBAFFQB-UHFFFAOYSA-N 486.556 4.593 50 10 JJGE CC[C@H]1[C@@H](CBr)CCN1C(=O)c1cc(Br)sc1Br 385681243 NZRMJSCMDYYFTI-APPZFPTMSA-N 460.029 4.909 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N[C@H](C)CCCCBr)cc1Br 398565787 GBKUXPMGYYISAC-SNVBAGLBSA-N 492.071 4.752 50 10 JJGE FC(F)(F)c1cnc(N2CCCC[C@H]2CCBr)c(I)c1 686110460 BCKJTBXXIMEKED-JTQLQIEISA-N 463.079 4.849 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 1258552381 VSANGHAYENSFJW-MRXNPFEDSA-N 463.710 4.660 50 10 JJGE CCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 1772720556 QLVMOURRKAZUCV-UHFFFAOYSA-N 486.565 4.751 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681007 CJHZPHCDNMZEOE-QHCPKHFHSA-N 468.488 4.670 50 10 JJGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2C(=O)O)cc1 1865704246 RCOWAVOBBMDJFY-HSZRJFAPSA-N 462.509 4.823 50 10 JJGE O=C(CCCCCCCCCCN1C(=O)c2ccccc2C1=O)NCCCBr 1865896142 HBDJORHEBYHFIM-UHFFFAOYSA-N 451.405 4.695 50 10 JJGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3ccc(NS(C)(=O)=O)cc3)n2)cc1Cl 1872756049 BKSIAVGFGFDEHS-HKWRFOASSA-N 491.978 4.802 50 10 JJGE COc1cccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c1OCc1ccccc1 1873795359 ZQARDKKEZSROPL-WTFDWONZSA-N 469.582 4.664 50 10 JJGE CC1(C)[C@@H](Br)CCCN1C(=O)c1cccc(Br)c1Br 1887806843 LSYYGINVPMRNGL-NSHDSACASA-N 454.000 4.990 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)Cc1ccc(Br)c(Cl)c1F 1905344139 SJUPVAQJNLEENY-JTQLQIEISA-N 475.539 4.844 50 10 JJGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(I)cc1 1914211547 DAPBIJRVBGYSBP-CYBMUJFWSA-N 458.137 4.717 50 10 JJGE O=S(=O)(c1ccc(Br)cc1F)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915169134 DWWXBVDXROVNPR-KRWDZBQOSA-N 491.220 4.953 50 10 JJGE CCc1nn(C)c(CN(Cc2ccccc2)[C@H](CBr)C2CC2)c1Br 1915217341 OTTRCLAEDGPBEN-QGZVFWFLSA-N 455.238 4.921 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2CCCC(C)(C)O2)CC1 2065754788 FMOHFHSDSIIPHM-HNNXBMFYSA-N 467.388 4.555 50 10 JJGE COc1ccc(C)c(-n2nc(CBr)c(I)c2C(F)(F)F)c1 2079256470 CFPVCIRXSXULBP-UHFFFAOYSA-N 475.046 4.708 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CC[C@H](Br)C(F)(F)CC1 2093621273 SSQHZTDYSPGQAE-QMMMGPOBSA-N 481.982 4.908 50 10 JJGE COc1cc(C[C@@H](Br)c2c(Br)cccc2Br)ncn1 2094099555 LTACYKJTVRYUEE-LLVKDONJSA-N 450.956 4.689 50 10 JJGE C[C@H]1CN(C(=O)c2cc(Br)ccc2Br)CC[C@@H]1CBr 2109032270 MKZDCHSRBCGUGX-VHSXEESVSA-N 454.000 4.705 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2143979573 YBFWXCKFUQDSKQ-UDZFHETQSA-N 468.560 4.723 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC2(CCC2)C[C@@H]1CBr 2151490671 QMJFRKVCSUTLOT-SNVBAGLBSA-N 466.011 4.991 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CC2(CC[C@H]1CCl)CC2 2207264416 FJYUMAMYVJZJAR-NSHDSACASA-N 468.560 4.677 50 10 JJGE CC1(C)CCN(C(=O)c2ccc(Br)cc2I)C[C@@H]1CCl 2207264975 LRCHTBUBXZCMLM-JTQLQIEISA-N 470.576 4.781 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCC23CC4CC(CC(C4)C2)C3)C1 2223895193 VDTZPZPLMNEDCM-IDHTWPPDSA-N 461.384 4.642 50 10 JJGE COc1ccc(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)c(Br)c1 2223998565 ZANGGTFOPBCFTF-OAHLLOKOSA-N 471.189 4.510 50 10 JJGE CC1(C)OCCN(Cc2cc(Br)ccc2Br)[C@@H]1CBr 2267682701 MIVGJQHUEUKMKX-CYBMUJFWSA-N 456.016 4.586 50 10 JJGE CCN(CC)c1ccc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 2313566883 COKCRBLQDPKVAP-UHFFFAOYSA-N 467.411 4.551 50 10 JJGE N#CC(=CNc1ccc(Cl)cc1C(F)(F)F)C(=O)N1CCN(c2ccc(F)cc2)CC1 2325282058 ONYKDXNXUXAAHX-UHFFFAOYSA-N 452.839 4.666 50 10 JJGE Cn1nc(Br)c(Br)c1[C@H](Br)c1cc(F)c(F)c(F)c1F 2364062738 BQACZOYJWVOBFD-RXMQYKEDSA-N 480.879 4.986 50 10 JJGE O=C(N[C@H]1C[C@H](CBr)C12CCC2)c1ccc(Cl)cc1I 2379721383 VIYRFPZKCHYNKP-RNCFNFMXSA-N 468.560 4.628 50 10 JJGE COc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(OC)cc3)N(c3ccccc3)C2=O)cc1 2360497 OHZLTEYKKDMZEZ-BSSRNLCFSA-N 485.565 4.769 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2cccc(C)c2C)cc1Br 14648966 LZIAAWZYSNVWLD-UHFFFAOYSA-N 477.399 4.865 50 10 JJGE Cc1cccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)c1C 14665614 YKJSMNAAGNNALW-UHFFFAOYSA-N 497.389 4.527 50 10 JJGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3Cl)nc3ccccn3c2=O)cc1 33562520 TXPYWWIBKOYPOU-VKAVYKQESA-N 456.889 4.994 50 10 JJGE Cc1cc(Cl)ccc1Nc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1N 40703389 ZTXBYUHGRXQNJN-UHFFFAOYSA-N 467.744 4.593 50 10 JJGE Cc1c(C(=O)Oc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813483 GCZVWOYXDLVEGE-KOEQRZSOSA-N 467.865 4.839 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1c(C)cccc1C 206734635 VWRRNKCTYSELNE-BKUYFWCQSA-N 474.513 4.503 50 10 JJGE COc1ccc(OC)c([C@H](Br)c2ccc(F)cc2I)c1 234980357 LKVKOKXMKOWZCK-OAHLLOKOSA-N 451.073 4.932 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CCC[C@H](CCCl)C1 236012671 OQVOILRQJIMALR-SNVBAGLBSA-N 456.549 4.535 50 10 JJGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 254381172 WAPFUCXTCWUZFW-UHFFFAOYSA-N 483.480 4.805 50 10 JJGE CCOc1cc(C=NNC(=O)c2cc3ccccc3cc2O)ccc1OC(=O)c1ccccc1 254483520 KFIOSPHAJJJTTN-UHFFFAOYSA-N 454.482 4.927 50 10 JJGE C[C@H]1CC[C@H](CBr)CN1C(=O)c1ccc(Br)cc1Br 688706293 RFLDCICKMPWBFK-VHSXEESVSA-N 454.000 4.847 50 10 JJGE CCO[C@@H]1CCC[C@H](OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C1 721655283 WJAUOUKIVHBSPX-CVEARBPZSA-N 467.388 4.555 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)c2cccc(C(F)(F)F)c2)c(-c2ccccc2)n1 761414416 GGXSWGBSUAVYAO-XDHOZWIPSA-N 478.430 4.816 50 10 JJGE CN(C)Cc1cccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1 914844989 DEISBITVEWPMOH-ZHZULCJRSA-N 458.953 4.724 50 10 JJGE Cc1ccc(C=NNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c(C)c1C 1084144110 QRAMLWQOWNGKBK-UHFFFAOYSA-N 469.994 4.611 50 10 JJGE CCCCOc1ccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 1084374115 TUVIUVCYEBRIDW-UHFFFAOYSA-N 497.592 4.659 50 10 JJGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1cccc(F)c1 1084555309 HMEQNWGTDSTMBT-HSZRJFAPSA-N 450.510 4.767 50 10 JJGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccc(Br)cc3)c(C)c21 1772750084 XDKSNVAWDUCVND-UHFFFAOYSA-N 470.323 4.975 50 10 JJGE COc1ccc(Cl)cc1S(=O)(=O)NNC(=O)c1ccc(-c2ccc3ccccc3c2)s1 1860405364 KTCUTNXYFZFPGD-UHFFFAOYSA-N 472.975 4.854 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)ccc1OCc1ccccc1 1865693410 JQAVMSDQZBQLBE-AREMUKBSSA-N 479.540 4.772 50 10 JJGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccccn1 1865703203 PSNCOWQTKLZZMM-XMMPIXPASA-N 479.540 4.950 50 10 JJGE CC[C@@H](CBr)N(C)Cc1ccc(I)c(Br)c1 1904343336 HOGKTFGJEYPPJI-JTQLQIEISA-N 460.979 4.659 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H]2C[C@@H](Br)C[C@H]2C1 2065406612 PVWQAKYKMUNZDP-RNLVFQAGSA-N 458.013 4.519 50 10 JJGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1c(Br)cccc1Br 2104407655 IBIHKJPAWVHWNC-ULCXWNMLSA-N 451.984 4.503 50 10 JJGE O=C(N[C@@H]1CC[C@H]2C[C@]21CBr)c1c(Br)cccc1Br 2132101053 NGAMCAREYDJCMM-UPLXVJCVSA-N 451.984 4.505 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@@H]2CCC[C@H](Br)[C@H]2C1 2150960417 DSQFHWOWANWSAI-DCAQKATOSA-N 466.011 4.847 50 10 JJGE FC(F)(F)c1cnc(N2C[C@H](Br)CC23CCC3)c(I)c1 2155603771 XPSBETSQUUGWDF-SECBINFHSA-N 461.063 4.601 50 10 JJGE CCN(CCBr)CCC[C@H](C)NC(=O)c1cscc1OCc1ccccc1 2204140679 SJGRGZITXLPACY-KRWDZBQOSA-N 453.446 4.942 50 10 JJGE CC(C)([C@@H](Br)c1cc(Br)c(Br)cc1F)S(C)(=O)=O 2218597631 OERGZRKFFRFICJ-JTQLQIEISA-N 466.992 4.610 50 10 JJGE C[C@H]1[C@H](Br)C[C@@H](C)CN1C(=O)c1cc(Br)c(Br)s1 2220342609 AVNTWUXLLISSGF-GJMOJQLCSA-N 460.029 4.907 50 10 JJGE O=C(c1csc(I)c1)N1C[C@H](Br)C[C@H]2CCCC[C@H]21 2264821510 FONVDEKFQYHRNO-YUSALJHKSA-N 454.171 4.521 50 10 JJGE CC(C)N(C[C@@H](C)Br)C(=O)Cc1cc(Br)cc(Br)c1 2277937110 SKAIAUFMUJWSND-SNVBAGLBSA-N 456.016 4.775 50 10 JJGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)NC[C@H]1CCCO1 2293541178 RLIKORMCIUSBMZ-LJQANCHMSA-N 475.770 4.884 50 10 JJGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(C(C)(C)C)cc2)cc1 2293972466 YYOXMXQUBPZFQP-UHFFFAOYSA-N 468.601 4.971 50 10 JJGE N#CC(C(N)=O)=C1S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1 2296835069 UOGGUPMYBLGQSF-INIZCTEOSA-N 452.750 4.558 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@]2(CCC[C@H](CI)O2)[C@@H]1C(F)(F)F 2303942568 LHRZAGVWQXTLRV-LALPHHSUSA-N 463.278 4.691 50 10 JJGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)C(C)=C(C#N)C1=O 2314616986 OKWBAIUUIQOXKH-UHFFFAOYSA-N 484.943 4.980 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)C=Cc1ccc(Cl)cc1 2314740273 FJSRKZURNRJORB-UHFFFAOYSA-N 462.889 4.784 50 10 JJGE CCO[C@@H]1[C@@H](Br)C[C@H]1OCc1cc(I)ccc1Br 2319215037 VPXXFJMMGKWOQG-YNEHKIRRSA-N 489.973 4.511 50 10 JJGE CCCOc1c(OC)cc(C=NNC(=O)c2nc(-c3ccccc3)sc2C)cc1[N+](=O)[O-] 2323749934 LPGUXZPPUOYJSU-UHFFFAOYSA-N 454.508 4.588 50 10 JJGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)[C@@H](C)N2C(=O)c3ccccc3C2=O)n1 2331371875 MSHFIDMIVZWMGH-OAHLLOKOSA-N 459.527 4.913 50 10 JJGE Brc1ccc(Br)c([C@H](Br)[C@H]2COC3(CCC3)CO2)c1 2338788996 AGYIGLKMMIJECP-OLZOCXBDSA-N 454.984 4.986 50 10 JJGE Clc1cc(CN2C[C@H]3CC(Br)C[C@@H](C3)C2)ccc1I 2338882861 JYBXYUFGUNCMPM-VXGBXAGGSA-N 454.577 4.940 50 10 JJGE Clc1ccc(CN2CCC3(CC2)C[C@@H]3CBr)c(I)c1 2341060033 QSXCOLKVJXFZMK-GFCCVEGCSA-N 454.577 4.942 50 10 JJGE CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1Br 14645704 BJNLKTAFQLIAPC-UHFFFAOYSA-N 490.398 4.543 50 10 JJGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)ccc1OC(=O)c1ccccc1OC 20175878 SXHWXCDBXLLZHO-STBIYBPSSA-N 484.508 4.936 50 10 JJGE COC(=O)c1cccc(Cn2cc(/C=C(/C#N)S(=O)(=O)c3ccccc3)c3ccccc32)c1 33307310 JGQKIOLPHFGMMC-HAHDFKILSA-N 456.523 4.815 50 10 JJGE C=CCc1ccc(OCCOc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)c(OC)c1 33685878 FHYDUEZWKBXQOJ-JCMHNJIXSA-N 488.540 4.706 50 10 JJGE O=C(NNc1ncnc(Sc2cccc3cccnc23)c1[N+](=O)[O-])c1ccc(Br)cc1 40657942 YXWRDNNVYXCZFC-UHFFFAOYSA-N 497.334 4.604 50 10 JJGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1NC(c1ccccc1)c1ccccc1 40783664 MWSGBGZYXFDKBA-UHFFFAOYSA-N 489.377 4.780 50 10 JJGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/Nc1ccccc1)CCC2 40824228 DDRARXLAKYVJJK-NLRVBDNBSA-N 481.350 4.578 50 10 JJGE COC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc3cc(Br)ccc3o2)c(OC)c1 41007459 RVEQOWOTZDGYML-VGOFMYFVSA-N 456.248 4.503 50 10 JJGE Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c1 48572353 PEHNBBJPBZDBER-JFLMPSFJSA-N 457.921 4.590 50 10 JJGE O=C(COc1ccc(Cl)cc1Cl)N/N=C1\C(=O)N(C/C=C/c2ccccc2)c2ccccc21 59156104 VIQOZTNKUVSCOA-IFWOWDAWSA-N 480.351 4.953 50 10 JJGE CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)/C(=N/NC(=O)c3ccc(Cl)cc3)c3ccccc32)C1 104891224 JFBBJPXITIABBU-QJFIAFJQSA-N 464.997 4.679 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc(OC)c1OC 252460318 DLVULHGJZIGXDH-UHFFFAOYSA-N 456.583 4.955 50 10 JJGE CC(=NNC(=O)c1ccc2c(c1)OCO2)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 254351958 XYTCVPLJYCGJNV-KRWDZBQOSA-N 493.947 4.937 50 10 JJGE O=C(Cc1cccc2ccccc12)NN=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 254411685 NRQJZGQUKLRUBM-UHFFFAOYSA-N 453.454 4.660 50 10 JJGE C[C@H](Br)C[C@H]1CCCCCN1C(=O)c1csc(I)c1 311349084 LFSVCPQVPYWWDP-CMPLNLGQSA-N 456.187 4.911 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N[C@@](C)(CBr)C(C)C)cc1Br 398569220 NVQAZRMNPLIFSK-ZDUSSCGKSA-N 492.071 4.608 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Br)c(Br)s2)C[C@@H](C)C1Br 688134523 OYMSKESMDQGLIT-RNFRBKRXSA-N 460.029 4.765 50 10 JJGE CN(C[C@H]1CCC[C@@H]1Br)C(=O)c1cc(Br)ccc1Br 689220309 VVIAIUJPXKPHBM-SKDRFNHKSA-N 454.000 4.847 50 10 JJGE C[C@@H](Cl)CC(C)(C)CNC(=O)c1ccc(I)c(Br)c1 721591034 BOYVIPHPUUVOQQ-SECBINFHSA-N 458.565 4.827 50 10 JJGE O=C(NCc1ccccn1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237664 LISXUKDGFIGNOY-LJQANCHMSA-N 467.900 4.791 50 10 JJGE COc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c(OC)c1 725387821 MDPRAAKDKHOZDO-UHFFFAOYSA-N 489.359 4.507 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CCl)[C@H](c2ccc(Br)cc2[N+](=O)[O-])C1 725398450 LGIRXMYIEBPCNJ-WMLDXEAASA-N 453.720 4.948 50 10 JJGE Cc1cc(C)cc(NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1 853447611 IEJJHWYZTGXTLD-AHFVYKFHSA-N 467.529 4.558 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccccc2OCc2cccc([N+](=O)[O-])c2)cc1 1084137970 KKXKVIOGVUNCKD-DEOSSOPVSA-N 477.517 4.536 50 10 JJGE O=C(NN=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1cccc(I)c1 1084447081 WDQQSOGARGYDQP-UHFFFAOYSA-N 495.660 4.877 50 10 JJGE COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1 1858688231 VVURRQFLCFYJIF-CYBMUJFWSA-N 486.868 4.669 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1cc(Br)ccc1O 1865696446 NBVWTCRRWKTJMV-FQEVSTJZSA-N 486.329 4.621 50 10 JJGE COc1ccc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)cc1OCc1ccccc1 1873795421 ILZXNQLVEUGCSB-MTDXEUNCSA-N 469.582 4.809 50 10 JJGE C[C@@H]1CN(C(=O)c2csc(Br)c2Br)CC[C@H]1CBr 2046679955 QCADTTUFDYFMQD-SFYZADRCSA-N 460.029 4.766 50 10 JJGE CC[C@@]1(NC(=O)[C@H](Br)C2CCCC2)CCCN(C(=O)OCc2ccccc2)C1 2048155257 SAQCTYOBICEEGU-DENIHFKCSA-N 451.405 4.638 50 10 JJGE O=C(CBr)c1cc(I)c(OC(F)(F)F)cc1C(F)F 2060389025 DBLGGEBYIQSDOA-UHFFFAOYSA-N 458.946 4.705 50 10 JJGE O=C(N[C@@H]1CCC[C@H]1CCBr)c1ccc(Br)cc1Br 2090572637 OWHDUMCZFAIZRS-TVQRCGJNSA-N 454.000 4.895 50 10 JJGE Cc1cnn(C)c1COc1c(Br)cc(Br)cc1CBr 2098065803 YXVFVBQJULCAKB-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@H](Br)[C@H]2CC[C@@H]21 2133723430 POTLZWVZRLVQRF-PTRXPTGYSA-N 451.984 4.600 50 10 JJGE O=S1(=O)C[C@@H]2CCC[C@@]2([C@@H](Br)c2cc(Br)sc2Br)C1 2137227697 MSRBUDHHUQIGCG-VIRWGQHYSA-N 493.080 4.924 50 10 JJGE C[C@H]1Cc2cc([C@@H](Br)c3cn(C)c(Br)n3)cc(Br)c2O1 2146615954 LYPSNPWIPVPJQL-JVXZTZIISA-N 464.983 4.753 50 10 JJGE Cc1cc(CCl)cc(S(=O)(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)c1Br 2152215554 UOIAZFYBNZWHDY-SFHVURJKSA-N 472.832 4.866 50 10 JJGE O=C(NC[C@@]12CCC[C@@]1(CBr)C2)c1cccc(Br)c1Br 2208032146 GMUDYCODWZXHLB-GJZGRUSLSA-N 466.011 4.897 50 10 JJGE CC(C)(C)OC(=O)N1CC(N(CCCCCI)OCc2ccccc2)C1 2209032578 VWFOATPGOUZDSS-UHFFFAOYSA-N 474.383 4.645 50 10 JJGE Cc1cc(Br)c([C@@H](Br)[C@H]2[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1Br 2235604449 NRSCHAFGGGDQDI-XSPYEYLBSA-N 487.051 4.555 50 10 JJGE Cc1c(Br)cccc1CO[C@@H](CCl)[C@H](I)CCl 2248254446 GTEPTLOQTMZSKA-NEPJUHHUSA-N 451.957 4.924 50 10 JJGE CC[C@H]1[C@H](CBr)CCN1C(=O)c1ccc(Cl)c(I)c1 2268346444 QKUACJLPRVRYFW-GWCFXTLKSA-N 456.549 4.580 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H]2CC[C@H](Br)[C@H]2C1 2308161014 FCIKYHUIGHGJBI-CSMHCCOUSA-N 458.013 4.519 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2CC[C@H](Br)[C@H]2C1 2308161506 UNOKTJUJIDOEPY-CSMHCCOUSA-N 458.013 4.519 50 10 JJGE C[C@H](Br)CCCN(C)C(=O)c1cc(I)ccc1Br 2314599024 QMNXIGJRKVFMTL-VIFPVBQESA-N 488.989 4.689 50 10 JJGE CCOc1ccc(C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1OCC 2314619733 DJGQHNLMMLYTLI-UHFFFAOYSA-N 450.922 4.930 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1Cl 2314737036 IIBUNGLFFWRCIF-UHFFFAOYSA-N 491.887 4.699 50 10 JJGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCCN1CCOCC1 2331444170 UNMNQKIBPYGZBB-UHFFFAOYSA-N 461.587 4.902 50 10 JJGE FC1(F)CCN(Cc2ccc(Cl)c(I)c2)C[C@H]1CBr 2337223239 JTDVLVAXQMEBKT-SNVBAGLBSA-N 464.519 4.797 50 10 JJGE CCC(CC)N(CCBr)C(=O)c1ccc(Cl)cc1I 2340053519 BMBDPTIZANAZEM-UHFFFAOYSA-N 458.565 4.970 50 10 JJGE C[C@H](Cl)CCCc1cn(Cc2ccc(I)c(Br)c2)nn1 2377434754 NGQGILQVLKIZJN-JTQLQIEISA-N 468.564 4.644 50 10 JJGE CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)CC)cc2)ccc1OC(=O)c1cccc(C)c1 653470 YGWIJSIYRFEBCV-OGLMXYFKSA-N 473.529 4.725 50 10 JJGE Cc1nc(COc2ccccc2/C=C/C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cs1 12484383 FINVBLOZMSSFRQ-VOTSOKGWSA-N 465.619 4.798 50 10 JJGE COc1ccccc1/C=N/NC(=O)COc1ccc2cc(Br)ccc2c1Br 12491367 NBVYZDFSQALFSO-FOKLQQMPSA-N 492.167 4.903 50 10 JJGE C/C(=N/NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1)c1ccc2ccccc2c1O 14361289 DOTKYLKOGUCOSW-JRISVKBQSA-N 473.573 4.868 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(Br)cc2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40649191 DXWIFNRJAXNFQQ-UHFFFAOYSA-N 498.124 4.955 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 58893989 LRLHARHUXMDQJJ-MAGAZJOKSA-N 476.573 4.945 50 10 JJGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1ccc(F)cc1F 96504278 RJHKIGOULCOZRJ-YVLHZVERSA-N 478.451 4.869 50 10 JJGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2)cc1 205641932 RKDZBBBUUIHABL-GPDVAYOPSA-N 454.482 4.541 50 10 JJGE CCn1c(SCC(=O)NN=C(C)c2ccc(O)cc2)nnc1-c1ccc(C(C)(C)C)cc1 254572602 HPYBXJCXWXFHOO-UHFFFAOYSA-N 451.596 4.601 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cn(Cc3ccccc3C#N)c3ccccc23)cc1 1083946741 CJLKVKKUNPHNAO-MUUNZHRXSA-N 480.568 4.924 50 10 JJGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccccc1OCc1ccccc1 1083973826 UOJOGILBLZYQTQ-UHFFFAOYSA-N 461.521 4.884 50 10 JJGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(C)c2)CCC3)c(OC)c1 1772744902 NKKGEHFTMNISDW-UHFFFAOYSA-N 461.518 4.636 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc(Br)c1O 1865689299 OXMKDBZDMQOPDT-SFHVURJKSA-N 487.741 4.529 50 10 JJGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)CCCOc1ccccc1 1865759911 XZURNXRRLYEDRI-UHFFFAOYSA-N 458.345 4.984 50 10 JJGE CC[C@](C)(NC(=O)CCc1csc(-c2ccncc2)n1)C(=O)Nc1ccc(SC#N)cc1 1867060146 CQFWZNFVSGIYTG-QHCPKHFHSA-N 465.604 4.634 50 10 JJGE COc1cc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)cc(OC)c1OC 1872757583 MQJLQJSXYPCMJB-OWBHPGMISA-N 491.978 4.773 50 10 JJGE Cc1cc(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)sc1Br 1916374782 NOGNDYVJDIYHHW-CQSZACIVSA-N 461.219 4.871 50 10 JJGE CCC(CC)(CBr)CN(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 1959572355 XKAWZAWJEHBRCS-UHFFFAOYSA-N 469.464 4.672 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CC[C@H](Br)[C@H]1C1CC1 2067016642 MYZGOHVANSYKGU-OIBJUYFYSA-N 458.013 4.661 50 10 JJGE O=C(c1csc(I)c1)N1CCCC12CCC(Br)CC2 2137570128 BDONDRAMWIZDNM-UHFFFAOYSA-N 454.171 4.665 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CC[C@](CCl)(C(F)(F)F)C1 2167690930 YCWOAALRDLUMCM-SNVBAGLBSA-N 455.521 4.907 50 10 JJGE O=C(NC[C@@]12CCC[C@]1(CCl)C2)c1ccc(I)c(Br)c1 2208031632 BQJXVXJTZYWNAW-CABCVRRESA-N 468.560 4.583 50 10 JJGE C[C@]1(CNC(=O)c2scc(Br)c2Br)CCC[C@@H]1Br 2258792534 ASWGWXUYCZLCIC-QPUJVOFHSA-N 460.029 4.957 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CN(CC2(CBr)CC(F)C2)CC[C@H]1C(F)(F)F 2280358764 HDOQKPVHQBGTQC-SMOJQAGNSA-N 461.338 4.525 50 10 JJGE COc1ccc([C@H](Br)[C@H]2C[C@H]2C2CCOCC2)cc1I 2285002313 LSCYXWUVQLLMRB-XEZPLFJOSA-N 451.142 4.799 50 10 JJGE COc1cc(C=C(C#N)C(=O)Nc2c(C)cccc2Cl)cc(I)c1OC 2293100699 UWZOCMOHIKLABW-UHFFFAOYSA-N 482.705 4.816 50 10 JJGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NN=Cc1ccc(OCc2ccc(F)cc2)cc1 2328827679 YRXYTFXBJRAETI-VWLOTQADSA-N 491.563 4.991 50 10 JJGE C[C@H]1CC[C@H](CBr)CN1C(=O)c1ccc(Cl)cc1I 2340060622 FCMTYCBQFZHMKM-VHSXEESVSA-N 456.549 4.580 50 10 JJGE CC[C@]1(C)[C@H](Br)CCN1C(=O)c1ccc(Cl)cc1I 2340065788 WQNIZCQULAGBQO-TZMCWYRMSA-N 456.549 4.723 50 10 JJGE C[C@H]1[C@H](C)N(C(=O)c2cccc(Br)c2Br)CC[C@H]1Br 2344511330 AMCGCKBPADDJLP-ATZCPNFKSA-N 454.000 4.846 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@H]2C[C@@H](Br)CC[C@H]21 2353892156 WJIOHILMAIKIKJ-PKFCDNJMSA-N 466.011 4.990 50 10 JJGE N#C/C(C(=O)N1CCCCC1)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 2269380 YJZKRPXAGWIEHK-KWLPWJRRSA-N 496.430 4.888 50 10 JJGE COc1cc([C@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)cc(OC)c1OC 9693359 VQWOKMOZDDHZOT-MRXNPFEDSA-N 485.993 4.894 50 10 JJGE O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NN=Cc1cccc2ccccc12)c1cccs1 13139119 IZPIXNBGKAOSQJ-XMMPIXPASA-N 466.566 4.874 50 10 JJGE aggregator CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 14034419 CVRNAQUMVLZIBG-CQSZACIVSA-N 498.432 4.521 50 10 JJGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCC)c(OCC)c2)c(OCC)c1 33378385 IVIFNKLMFCUSLY-OJLLVJJPSA-N 479.529 4.972 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1 38650338 VMMNGUXWVGEJMA-DEOSSOPVSA-N 462.889 4.551 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1 38650422 QMDVWJVCVKVIDW-QFIPXVFZSA-N 477.860 4.694 50 10 JJGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1Br 38678480 CFGHDYOOCXBDMT-JOCHJYFZSA-N 477.314 4.895 50 10 JJGE Cc1cc(Oc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])ccc1Cl 40658371 JSTGNJDTVSQQER-UHFFFAOYSA-N 478.690 4.658 50 10 JJGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1N1CCC(Cc2ccccc2)CC1 40729428 ZJCYVKPIOKIRGC-UHFFFAOYSA-N 492.627 4.793 50 10 JJGE COc1cc(Br)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c1OC 59680324 YNCMLGFCFQWUAW-ZVBGSRNCSA-N 482.128 4.739 50 10 JJGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(F)cc3)n2-c2ccc(C)cc2)cc1 254607541 KKOUALNAPAHXHA-UHFFFAOYSA-N 459.550 4.933 50 10 JJGE C[C@@H](Br)C[C@@H]1CCCCCN1C(=O)c1sccc1I 311748339 SVGXUOXTCVWSNO-MNOVXSKESA-N 456.187 4.911 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Br)cc(Br)c2)C[C@@H](C)C1Br 688077604 YPVWJGVQRCZVRU-RKDXNWHRSA-N 454.000 4.703 50 10 JJGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3cnn(C)c3Br)c2O1 720052406 NRSYROIATFYRNH-JMCQJSRRSA-N 464.983 4.753 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)Nc2ccn(CCc3ccncc3)n2)c(C)n1-c1ccc(F)cc1 749526753 DHICWFSLCIAGOV-JWGURIENSA-N 454.509 4.613 50 10 JJGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccccc1OCc1ccc(C(=O)O)cc1 1083991807 KZYBJANLXSCPSX-UHFFFAOYSA-N 477.567 4.816 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCC(=O)O 1084619297 LBYVCCIJBCNTRY-VZUCSPMQSA-N 455.681 4.664 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1cc(Br)ccc1O 1865695999 JMMZWSCICKCNND-OAHLLOKOSA-N 477.240 4.577 50 10 JJGE BrCc1cc(Br)cc(Br)c1OC[C@]12CCOC[C@H]1C2 1880394531 FAVAQRBBOCFIHU-QMTHXVAHSA-N 454.984 4.912 50 10 JJGE Cc1nn(-c2cc(Br)ccc2CBr)c(C)c1I 1945161307 ARCCNNIYOLYRHL-UHFFFAOYSA-N 469.946 4.751 50 10 JJGE CC1(C)C[C@@H](Cl)CCN1C(=O)c1cc(I)ccc1Br 2113594963 YXKGMYQIDIVCRW-VIFPVBQESA-N 456.549 4.676 50 10 JJGE CC1(C)C[C@H](CBr)CN(C(=O)c2cc(Cl)ccc2I)C1 2172586564 RPBNXZCSIBFQIE-SNVBAGLBSA-N 470.576 4.828 50 10 JJGE CCc1ccc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 2179862577 YJFFRBMZQPMTLH-FQEVSTJZSA-N 452.414 4.514 50 10 JJGE Cc1sc(Br)c(C)c1[C@H](Br)c1cnn(C)c1I 2213642625 UQHLNMDPIZYKDU-SECBINFHSA-N 490.002 4.950 50 10 JJGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 2242382075 FIJCCJMEECSKAZ-UPJWGTAASA-N 475.346 4.853 50 10 JJGE O=C(N[C@@H](CBr)[C@H]1CC=CCC1)c1ccc(Cl)c(I)c1 2283665474 VXUDUSHEWMFOHO-HZMBPMFUSA-N 468.560 4.794 50 10 JJGE Cc1ccc(NC(=O)c2nc(NNC(=O)C=Cc3ccc(Cl)cc3)ncc2Cl)cc1C 2297463729 GANBEORIBSTVJH-UHFFFAOYSA-N 456.333 4.809 50 10 JJGE C=CC[C@H](Br)[C@@H]1CCN1C(=O)c1cc(Br)c(Br)s1 2314221751 APRGWDJXYAHXEU-CBAPKCEASA-N 458.013 4.827 50 10 JJGE CC[C@H]1[C@H](CBr)CCN1C(=O)c1ccc(Cl)cc1I 2340058671 PTMUMAPIMQSKPU-ZANVPECISA-N 456.549 4.580 50 10 JJGE ClC[C@]12CCC[C@]1(CNCc1ccc(I)c(Br)c1)C2 2349836513 QGKMLHCJERKLHP-HUUCEWRRSA-N 454.577 4.943 50 10 JJGE Brc1cccc([C@@H](CI)O[C@@H]2CCN3CCC[C@@H]3C2)c1 2357583908 YYKXSXUJVXDCIT-BZUAXINKSA-N 450.158 4.569 50 10 JJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14649948 UWQPULJIMWDOOV-MRXNPFEDSA-N 491.426 4.865 50 10 JJGE COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)o1 33247378 JNCHADWQVDBJTK-PTNGSMBKSA-N 452.430 4.567 50 10 JJGE COc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C)cc3C)nc3ccccn3c2=O)c1 39993133 PXBXKDSPMLHAKR-XMHGGMMESA-N 466.497 4.658 50 10 JJGE CCCOc1ccc(/C=N\NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc1Cl 169920791 QDGWNGSLYQRCNY-WGARJPEWSA-N 458.345 4.756 50 10 JJGE COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCc3nnc(-c4ccccc4)o3)c2C)cc1 255927848 RMYQGPRXMZSLAR-STZFKDTASA-N 454.486 4.803 50 10 JJGE ClCCc1nc2cc(I)ccc2n1C[C@H]1CCN(Cc2ccccc2)C1 311501225 LSRSCHZIVXNTMD-KRWDZBQOSA-N 479.793 4.944 50 10 JJGE COc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c(F)c1 382702908 PWFUATKFUSOUHZ-YJBOKZPZSA-N 469.294 4.622 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2ccc(Br)cn2)C1 382708084 VLFHMQUYZUAWOT-GDBMZVCRSA-N 454.162 4.591 50 10 JJGE Cn1cc(Br)c([C@@H](Br)c2c(Br)cc(F)c(F)c2F)n1 693050303 CZOBXXTUWAXVAH-QMMMGPOBSA-N 462.889 4.847 50 10 JJGE CCO[C@@H]1CCC[C@@H](O[C@@](C)(CI)CN(CC)C(=O)OC(C)(C)C)C1 721650860 CMGKJKAJTIVHPB-MDZRGWNJSA-N 469.404 4.801 50 10 JJGE Cc1ccc(COc2ccc(C[C@H](C)NC(=O)NNC(=O)c3cccc4cccnc34)cc2)cc1 727171730 CRLLHUOPJNSXFD-FQEVSTJZSA-N 468.557 4.697 50 10 JJGE O=C(NNC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1ccc(-c2ccc(F)cc2)s1 727365899 DMGILJKYTMRLFN-UHFFFAOYSA-N 480.590 4.842 50 10 JJGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1cccc(OCc2ccccc2)c1 1084237961 KEWOMEBCXIUMHM-UHFFFAOYSA-N 461.521 4.884 50 10 JJGE CC(=NNC(=O)COc1ccc(Br)cc1Br)c1ccc(Cl)cc1 1084544627 MVDWDSAMALUWSP-UHFFFAOYSA-N 460.553 4.784 50 10 JJGE Cc1ccc2c(c1)C(=NNC(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)N2CC(C)C 1772720930 XKSKTZSLANMLNN-UHFFFAOYSA-N 462.377 4.984 50 10 JJGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743636 FJPXHRMCTCWOIX-UHFFFAOYSA-N 465.893 4.693 50 10 JJGE COc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)c1 1772747409 HLPYWXJXKAOJMC-UHFFFAOYSA-N 496.907 4.881 50 10 JJGE Cc1c(C(=O)N(C)c2ccccc2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751679 WOEJMYLMAZIYSN-UHFFFAOYSA-N 452.514 4.883 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1cccc(O)c1 1865681421 MXAXMTGQMJKZAL-OAHLLOKOSA-N 477.240 4.577 50 10 JJGE CSCC[C@@H](NC(=O)c1cc(-c2ccc(C)c(C)c2)n(C)n1)C(=O)Nc1ccc(SC#N)cc1 1866829878 PDDTVAAJWUHRGT-OAQYLSRUSA-N 493.658 4.767 50 10 JJGE COc1cc2nc(/C(C#N)=C/c3ccc(OC(=O)c4ccc(F)cc4)cc3)nc(O)c2cc1OC 1872727605 NGJSRQXIQIQYLI-GZTJUZNOSA-N 471.444 4.775 50 10 JJGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)CCN2C(=O)c3ccccc3C2=O)n1 1872754830 KXPSQJAKFMCHPY-VZCXRCSSSA-N 459.527 4.915 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N/N=C/c1cccc(OCc2cccc(Cl)c2)c1 1873793368 LJPJKVYTJCPRGT-YYHBXHNPSA-N 457.958 4.769 50 10 JJGE C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CCl)sc1Br 1885142412 QUFQYUKAMJWFPM-CQSZACIVSA-N 477.877 4.535 50 10 JJGE C[C@H]1CN(C(=O)c2scc(Br)c2Br)CC[C@H]1CBr 2046673224 SBMPZLWPQDFCDV-YUMQZZPRSA-N 460.029 4.766 50 10 JJGE C[C@@]1(CBr)CCCN(C(=O)c2cccc(Br)c2Br)C1 2092332830 KCBDBWYMEYCZDY-AWEZNQCLSA-N 454.000 4.849 50 10 JJGE C[C@@H](Br)CCc1cn(Cc2c(Br)cccc2Br)nn1 2132765259 YPVDMPAHOXGCNQ-SECBINFHSA-N 451.988 4.567 50 10 JJGE O=C(NC[C@@H]1C[C@@H](Cl)C12CCC2)c1cc(I)ccc1Br 2172230642 CXGGNSCJVWLRSH-TVQRCGJNSA-N 468.560 4.581 50 10 JJGE O=C(NCC[C@H]1CCCC[C@@H]1Cl)c1cc(I)ccc1Br 2179636009 FSCGDANGFJPHMQ-YGRLFVJLSA-N 470.576 4.971 50 10 JJGE O=S(=O)(c1cc(Br)cc(CCl)c1F)N1CCC[C@H](OCc2ccccc2)C1 2186388855 JDJVATJQDIYMPV-KRWDZBQOSA-N 476.795 4.697 50 10 JJGE C[C@H](Cl)c1nc2cncc(Br)c2n1C[C@H]1CC1(Br)Br 2224804145 ZMXFZKNMEUIOJV-NKWVEPMBSA-N 472.406 5.000 50 10 JJGE COc1cc(Br)c([C@@H](Br)c2cnn(C)c2I)cc1C 2227721973 FDCMJFJANHSQFF-GFCCVEGCSA-N 499.972 4.589 50 10 JJGE O=C(NCC1(CBr)CCCC1)c1ccc(Cl)c(I)c1 2268347719 MAGJDEUOIHJMOZ-UHFFFAOYSA-N 456.549 4.630 50 10 JJGE CS(=O)(=O)[C@H]1C[C@H]([C@H](Br)c2cc(Br)c(Br)cc2F)C1 2269776094 LUSMOPIZHXWWDZ-WSFZALMZSA-N 479.003 4.610 50 10 JJGE CN(C(=O)Cc1cc(Br)cc(Br)c1)C1(CBr)CCC1 2277920366 ZADCOJBVPAHLIR-UHFFFAOYSA-N 454.000 4.530 50 10 JJGE CCN(C[C@](C)(CI)OCc1cc(OC)cc(OC)c1)C(=O)OC(C)(C)C 2283531610 OVCXZUCAVRAWOM-FQEVSTJZSA-N 493.382 4.671 50 10 JJGE COc1ccc([C@@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)cc1I 2284998491 RJCCALLXASCREO-DDFXLWFNSA-N 451.142 4.799 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc(Cl)cc1 2295672203 APHJACQPGSPJDX-UHFFFAOYSA-N 490.899 4.520 50 10 JJGE C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2328795153 RYLRTJOFYYBXEY-AWEZNQCLSA-N 466.365 4.936 50 10 JJGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)CC1=O 2331323689 VFKOGTCPZLHWTR-INIZCTEOSA-N 489.553 4.760 50 10 JJGE CC(C)C[C@H](CBr)CN=[S@@](=O)(C(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2353823830 GMEAVWDRNURGTN-KRXBEKAOSA-N 453.487 4.929 50 10 JJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C1=O 38606560 YOUPUDVREMYGHQ-CPNJWEJPSA-N 469.335 4.728 50 10 JJGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4nc5ccccc5s4)c(C)c32)c1 40822328 GVSYEWXBHRQAGD-MTDXEUNCSA-N 474.542 4.929 50 10 JJGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc(OC)c1OC 40866586 QRGLOEYGIYJOTG-OGLMXYFKSA-N 462.546 4.567 50 10 JJGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)ccc1OCCc1ccccc1 40911639 DMCCTTPJXXJQNU-WGOQTCKBSA-N 483.362 4.608 50 10 JJGE COc1cc(C(=O)N/N=C2/C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc(OC)c1OC 59165501 MBOAUNBZHOWJKV-URGPHPNLSA-N 495.535 4.547 50 10 JJGE CCCOc1c(OC)cc(/C=N/NC(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)cc1OC 169926819 FAJCVHNQTUWNDR-JVWAILMASA-N 458.518 4.800 50 10 JJGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)C1=O 214354797 FOXSRHCAJOLTQD-MGKUZBKYSA-N 490.563 4.949 50 10 JJGE COc1ccc(C(C)=NNC(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c(OC)c1 252584825 DAZBBGHBPFOHBI-UHFFFAOYSA-N 451.910 4.764 50 10 JJGE Cc1ccc(C(C)C)c(OCC(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccccc32)c1 254612354 QKAUAXWMKADHAE-UHFFFAOYSA-N 455.558 4.607 50 10 JJGE O=C(CCCOc1ccc(Cl)cc1Cl)Oc1ccc(C=NNC(=O)c2ccncc2)cc1 254733115 PCWFFWACNBYGSE-UHFFFAOYSA-N 472.328 4.917 50 10 JJGE Cc1csc(=O)n1CCOc1c(Br)cc(Br)cc1CBr 700228469 UINQLDFGOKPSTF-UHFFFAOYSA-N 486.023 4.717 50 10 JJGE C[C@H](Br)Cc1cn(-c2c(Br)cc(Cl)cc2Br)nn1 709307025 VZLHVPVGEACQFE-LURJTMIESA-N 458.379 4.772 50 10 JJGE C[C@@H]1CN(C[C@H](c2cccs2)N(C(=O)CCl)c2ccc(Oc3ccccc3)cc2)C(=O)CN1 1082550812 OPVVIVSSGTXETK-XMSQKQJNSA-N 484.021 4.674 50 10 JJGE C=CCc1ccccc1OCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 1084275445 ZIWDBEOLIBTLJI-UHFFFAOYSA-N 454.505 4.936 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](CBr)[C@H](c2ccc([N+](=O)[O-])cc2Br)C1 1614643484 REHSTCGZONTKMT-GXFFZTMASA-N 464.154 4.703 50 10 JJGE C[C@@H](Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1 1858685238 JGCSAOSZWUBRCT-CYBMUJFWSA-N 456.842 4.660 50 10 JJGE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865690607 WRKGBXQKZRHAEV-XMMPIXPASA-N 464.525 4.893 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1c[nH]c2ccccc12 1865700142 LVDRBHXZQQAFST-GOSISDBHSA-N 453.399 4.789 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccccc1C(=O)O 1865704321 SLPAEAFBJSTPQQ-MRXNPFEDSA-N 474.826 4.520 50 10 JJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@@H]2CC(=O)c3ccccc32)cc1 1867240180 LXBFLBITYAKTAJ-YADARESESA-N 469.566 4.686 50 10 JJGE N#CSc1ccc(Nc2cc(N3CCC(c4ncncn4)CC3)nc(Cc3ccccc3)n2)cc1 1868207010 CFAROCVYWQFJJV-UHFFFAOYSA-N 480.601 4.953 50 10 JJGE COc1cc(CBr)ccc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 1885382687 JRTYRPYJQBIMEQ-UHFFFAOYSA-N 460.393 4.981 50 10 JJGE O=C(NCC[C@@H]1CCC[C@@H]1Br)c1cc(Br)sc1Br 1913721871 RSLCWIAREBLSOW-CBAPKCEASA-N 460.029 4.957 50 10 JJGE O=C(c1csc(Br)c1Br)N1CCC([C@H](F)CBr)CC1 2106952956 SAVYAZNNZWUWOW-SECBINFHSA-N 478.019 4.858 50 10 JJGE CCCN1CCC[C@@H]([C@H](Br)c2cccc(OCc3ccccc3)c2)S1(=O)=O 2145783965 WVLXWXSLNLUFJE-LEWJYISDSA-N 452.414 4.906 50 10 JJGE C[C@@H](Cl)C12CCC(CC1)N2C(=O)c1cc(Br)ccc1I 2153394174 ZIEZMHGSHDDYII-IWPPJYEWSA-N 468.560 4.818 50 10 JJGE O=C1c2ccccc2C(=O)N1CCc1nccn1-c1cc(C(F)(F)F)ccc1CBr 2155773343 FHUKHYMFWHKQND-UHFFFAOYSA-N 478.268 4.625 50 10 JJGE Brc1ccccc1[C@@H](CI)OC[C@H]1CC12CCOCC2 2198366683 NQMWOWWUFOCCFP-IUODEOHRSA-N 451.142 4.759 50 10 JJGE Cc1ccc(C(=O)NCC[C@@H]2CCCC[C@@H]2Br)cc1I 2232836181 DIIMJNDFFRSSLR-JSGCOSHPSA-N 450.158 4.673 50 10 JJGE CC(C)CN(C[C@@H](C)Cl)C(=O)c1cc(Br)ccc1I 2272446207 UBJLNUYLEUOCEZ-SNVBAGLBSA-N 458.565 4.779 50 10 JJGE O=C(NCC1(CBr)CCCCC1)c1c(F)cccc1I 2282803263 VVTVDQIMSXBYGT-UHFFFAOYSA-N 454.121 4.506 50 10 JJGE COc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(OC)cc3)N(c3ccccc3)C2=O)cc1 2296506996 OHZLTEYKKDMZEZ-DEOSSOPVSA-N 485.565 4.769 50 10 JJGE Cc1ccc(-c2csc3ncn(CC(=O)C(C#N)=C4Nc5ccccc5S4)c(=O)c23)cc1 2318370974 OMZQOTQGBHWKJK-UHFFFAOYSA-N 456.552 4.956 50 10 JJGE COc1cc(C=C(C#N)S(=O)(=O)c2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1C 2331030327 CSTFCHPOFDWYAM-UHFFFAOYSA-N 476.554 4.668 50 10 JJGE C[C@H](Br)C1CCN(C(=O)c2ccc(Cl)cc2I)CC1 2340054881 BYDHXKSEZSJXGL-VIFPVBQESA-N 456.549 4.580 50 10 JJGE C[C@@H]1C[C@H](Br)CCN(C(=O)c2ccc(Cl)cc2I)C1 2340065932 NRCDONANYFGNGH-NXEZZACHSA-N 456.549 4.580 50 10 JJGE CCCn1nc(Br)nc1C[C@H](Br)c1cccc(Br)c1 2353724281 JCRYSFQNARSERI-NSHDSACASA-N 451.988 4.892 50 10 JJGE COc1c(F)cc(CO[C@@]2(CBr)CCCN(C(=O)OC(C)(C)C)C2)cc1F 2363443425 VKUCOEGXPCTION-LJQANCHMSA-N 450.320 4.655 50 10 JJGE FC(F)(F)[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@H]1CCl 2377329561 AMXGLXLYZCVYIK-NXEZZACHSA-N 482.509 4.903 50 10 JJGE C[C@H]1CCCN(c2ccc(/C=C(/C#N)c3nn(-c4ccccc4)c(N)c3C#N)cc2[N+](=O)[O-])C1 6177506 MFSRCSDTQYRLEL-LSPINASFSA-N 453.506 4.535 50 10 JJGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14649909 ZTQKANIIYYPQPE-MRXNPFEDSA-N 491.426 4.865 50 10 JJGE Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3cc(Cl)sc3Cl)c2)c(C)c1 21007377 DRIZRVHQHSFDDO-UHFFFAOYSA-N 498.413 4.547 50 10 JJGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1Nc1ccc(C(F)(F)F)cc1 40793477 OFLWZLJXJTZBAZ-UHFFFAOYSA-N 457.243 4.885 50 10 JJGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)ccc1OCc1ccccc1C 40911513 RQZVQPCHWPJPRS-VULFUBBASA-N 483.362 4.874 50 10 JJGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242014 KDVAJMCRKXYRFO-NLTRVXJZSA-N 471.582 4.893 50 10 JJGE Cc1cn([C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O 195784228 DDLOCFSZSYGOPG-BZSNNMDCSA-N 470.759 4.545 50 10 JJGE COC(=O)/C(C#N)=C\c1cccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)c(OC)c2)c1 206687910 VIGRIEVDZBKKBS-KCPGYDQCSA-N 469.493 4.973 50 10 JJGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccccn2)cc1 252600452 DRJZWCZZAQYSFB-BBGLMMETSA-N 475.980 4.502 50 10 JJGE CC(=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccccc1 254480302 KXDJUASDNBJOPR-UHFFFAOYSA-N 488.638 4.959 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2cc(F)ccc2Br)C1 382698320 YREGCCPHXXCCBD-GXFFZTMASA-N 484.147 4.974 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(Br)cc2)[C@@H](CI)C1 394679391 WZOVLBKTMVVZGN-GXTWGEPZSA-N 466.157 4.835 50 10 JJGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2CC[C@H](Cl)C[C@H]2C1 398792493 OEDPQCHQXRUWIJ-DCAQKATOSA-N 468.560 4.533 50 10 JJGE Clc1ccc(I)c(CN2C[C@@H]3CC[C@H](Br)C[C@H]3C2)c1 405314894 WGXMQOTYCBWSIZ-GVXVVHGQSA-N 454.577 4.940 50 10 JJGE CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNC(=O)CCc2ccco2)cs1 748140118 NJKKQBBWYSIIMQ-UHFFFAOYSA-N 450.442 4.522 50 10 JJGE COc1cc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 1084216802 JMZNVCSWSWRCER-UHFFFAOYSA-N 472.328 4.670 50 10 JJGE CC(=NNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 1084510270 XIHJGLSYQVIUAC-UHFFFAOYSA-N 469.994 4.693 50 10 JJGE CC(=O)N1CCN(C(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)CC12CCCCC2 1521104729 FDZJZMSRBPKPLG-ULJHMMPZSA-N 450.627 4.911 50 10 JJGE O=C(Nc1cc([N+](=O)[O-])ccc1Cl)S[C@H]1[C@H](Cl)[C@H](Cl)N[C@H](Cl)[C@H]1Cl 1615949157 ULQNVJBLNOZLKP-MFDAYCCISA-N 453.562 4.830 50 10 JJGE C=CC[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C)C(=O)OCC 1624932104 VTEFJWYBNMFJFJ-CNEDASOKSA-N 459.468 4.644 50 10 JJGE COc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(Cl)c2)CCC3)c1 1772745813 IBQDKSUNFMXXKT-UHFFFAOYSA-N 451.910 4.973 50 10 JJGE Cc1c(C(=O)NCc2ccco2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749023 GKYIHKFVKSHEGB-UHFFFAOYSA-N 490.343 4.653 50 10 JJGE CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(OC)c2)cc1[N+](=O)[O-] 1860774231 RSBPWUDZZJQLDI-QQXSKIMKSA-N 463.490 4.735 50 10 JJGE CCc1cccc(OCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)c1 1865758928 AVGYPYNWFYLALM-UHFFFAOYSA-N 458.345 4.766 50 10 JJGE CC(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc5c(c4)OCCO5)cs3)cc2C1=O 1872750843 MMRHKNPIFFNVET-PYCFMQQDSA-N 473.510 4.536 50 10 JJGE Cc1c(/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1872751135 STIWLXKMBXADBH-HKWRFOASSA-N 466.431 4.656 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)COc4ccc(Cl)cc43)n2)cc1F 1872752729 PRELHNCJAFMSRQ-JXAWBTAJSA-N 471.897 4.829 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)c(OC)c1OC 1872759312 KEMMEUZYQKQXLP-QIDKZVQTSA-N 491.569 4.677 50 10 JJGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)CC1=O 1873921103 VFKOGTCPZLHWTR-PWEHGMCJSA-N 489.553 4.760 50 10 JJGE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@@H]1NCCSSCCNC(=O)OC(C)(C)C 1985349792 GGINCOOANDOPSH-ZACQAIPSSA-N 463.710 4.516 50 10 JJGE CC(C)(C)[C@@H](CCl)CNC(=O)c1ccc(I)c(Br)c1 2090192854 WSXZMFLLJUBRIT-JTQLQIEISA-N 458.565 4.685 50 10 JJGE COc1cscc1[C@@H](Br)c1cc(I)cc2c1OCC2 2100080310 VMTWWXFUAFLKDP-ZDUSSCGKSA-N 451.123 4.781 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1[C@H](CBr)[C@H]2CC[C@@H]1C2 2122172935 KFNGJYOLLVRBCM-IYYTYJHQSA-N 451.984 4.600 50 10 JJGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cc1Cl 2179791047 MBVXUQBDFHLUBK-GOSISDBHSA-N 471.848 4.520 50 10 JJGE COc1ccc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)CC1CCCC1 2179857570 BENILXKNCVTJLF-UHFFFAOYSA-N 452.414 4.971 50 10 JJGE COCC12CC([C@@H](Br)c3cc(Br)c(Br)cc3F)(CO1)C2 2233977503 VNXVPHRURFNZMH-HSBZDZAISA-N 472.974 4.982 50 10 JJGE CC(C)CCN(CCBr)C(=O)c1ccc(Cl)c(I)c1 2268352147 NUBNKCDQGBCFIP-UHFFFAOYSA-N 458.565 4.828 50 10 JJGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 2293039122 DUZCEAOYFFRVIR-HSZRJFAPSA-N 475.520 4.707 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)COc4ccc(Cl)cc43)n2)cc1C 2331260310 URKLCUTVJCBTDC-UHFFFAOYSA-N 467.934 4.999 50 10 JJGE CCN(C[C@@](C)(CI)OC[C@@H](OC)c1ccccc1)C(=O)OC(C)(C)C 2336211848 JCDURPVSXSCGCW-YLJYHZDGSA-N 477.383 4.841 50 10 JJGE C[C@H]1[C@H](C)N(C(=O)c2ccc(Cl)cc2I)CC[C@H]1Br 2344518955 BVPYFMONGLEQMV-HOTUBEGUSA-N 456.549 4.579 50 10 JJGE CC(C)(C)OC(=O)Nc1ccc([S@@](C)(=O)=NC[C@@]2(CBr)CC2(F)F)cc1 2351887340 MPXJOMWQTSRPNA-YHAMSUFESA-N 453.349 4.911 50 10 JJGE FC1(F)CCN(Cc2cc(I)ccc2Cl)C[C@@H]1CBr 2352418214 RXNDBCBNPQZUAB-JTQLQIEISA-N 464.519 4.797 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CC[C@H]2C[C@@H](Cl)CC[C@H]21 2353894510 JSFLDVBIFBFTRS-PKFCDNJMSA-N 468.560 4.676 50 10 JJGE O=C(NC[C@]12CCC[C@@]1(CBr)C2)c1ccc(Cl)cc1I 2365591041 DSNMLUDLZKTDDW-LSDHHAIUSA-N 468.560 4.630 50 10 JJGE COCc1ccc([C@H](Br)c2cc(I)cc3c2OCC3)s1 2368078927 FPVSMMKTLAVEIA-CQSZACIVSA-N 465.150 4.918 50 10 JJGE COc1c(F)cc([C@H](Br)c2c(Br)c(Br)nn2C)cc1F 2370449161 RUFHHZVRTQVEOD-QMMMGPOBSA-N 474.925 4.716 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1OC 38659448 HGVYBMQBMMWBKZ-RUZDIDTESA-N 472.497 4.540 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1 38685973 POAPMRJJNAMRHI-VWLOTQADSA-N 476.916 4.941 50 10 JJGE COc1ccc([C@@H](Br)c2ccc(I)cc2)c(OC)c1OC 40289987 RBZQEPCLHGMRQD-AWEZNQCLSA-N 463.109 4.801 50 10 JJGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816136 DHSIBNACFGIITI-ZXVVBBHZSA-N 496.361 4.838 50 10 JJGE Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)cc2)n1 97553517 JQCUOZRTYGALFO-RTWAWAEBSA-N 466.994 4.604 50 10 JJGE O=C(NC[C@H]1CCC[C@H](Br)C1)c1cc(Br)ccc1Br 227756823 SKTIOSXJHOAYKL-UWVGGRQHSA-N 454.000 4.895 50 10 JJGE Cc1cccc(C(=O)NC[C@H]2CCCC[C@H]2CBr)c1I 235925699 ICTCSVRQVUGWGM-QWHCGFSZSA-N 450.158 4.531 50 10 JJGE C[C@@H](N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 253321410 UTQCVMLLJMWEHS-NTAMMVEJSA-N 468.645 4.742 50 10 JJGE O=C(COc1ccc2c(c1)OCO2)NN=Cc1ccc(OCc2cccc3ccccc23)cc1 254489541 AADHYRHLLLEOBM-UHFFFAOYSA-N 454.482 4.677 50 10 JJGE C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NN=C/C=C2/N(C)c3ccccc3C2(C)C)cc1 254696554 TVDOBZZYSYKFFL-JOISCEERSA-N 488.632 4.882 50 10 JJGE BrCC(CBr)(CO[C@H]1CCCOC1)c1ccccc1Br 380089155 CVCHSBDGUNDRFK-LBPRGKRZSA-N 471.027 4.672 50 10 JJGE O=C1Cc2cc([C@@H](Cl)c3cccc(I)c3)c(Br)cc2N1 380232883 LWQUMYUICGLBGL-HNNXBMFYSA-N 462.512 4.877 50 10 JJGE CN(c1ncc(C(F)(F)F)cc1I)[C@H](CBr)C(C)(C)C 686115653 VVNGOYYRGURHHP-SNVBAGLBSA-N 465.095 4.951 50 10 JJGE N#Cc1ccccc1COc1ccc(C=NNC(=O)C2CCCCC2)cc1I 1084631595 DWNCYRRZLWANBT-UHFFFAOYSA-N 487.341 4.772 50 10 JJGE C=CCn1c(SCC(=O)NNc2cc(Cl)ccc2F)nnc1-c1ccc(Cl)cc1 1302659162 KODDVYQQALFBCQ-UHFFFAOYSA-N 452.342 4.812 50 10 JJGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685648 LALKROLPIUSELY-HXUWFJFHSA-N 473.895 4.954 50 10 JJGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cc(OC)ccc2OC)cc1 1865691861 CQFKHAWPCPZBDB-XMMPIXPASA-N 480.524 4.783 50 10 JJGE CSCC[C@@H](NC(=O)[C@@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866703235 QZAXEYZDXQKFOC-BJKOFHAPSA-N 490.654 4.858 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2cscc2F)C1 1993542171 PCKLCBTXLWUUSR-MRXNPFEDSA-N 455.333 4.609 50 10 JJGE O=C(NC[C@]1(F)C[C@@H](CBr)C1)c1scc(Br)c1Br 2049526668 UJERWWJAYVAZIT-JCJUMFQOSA-N 463.992 4.516 50 10 JJGE Cc1sc2nc(C(C#N)=Cc3ccc(Sc4nccn4C)c([N+](=O)[O-])c3)nc(O)c2c1C 2053511623 BJTZJLGGJMDONE-UHFFFAOYSA-N 464.532 4.871 50 10 JJGE O=S(=O)(c1cc(CCl)sc1Br)N1CCC[C@@H](OCc2ccccc2)C1 2066322123 QHNOUYGYACSUIH-CQSZACIVSA-N 464.834 4.619 50 10 JJGE CC(C)N(CCCBr)C(=O)c1ccc(Br)cc1I 2086146956 HEXVYIWVVKHJMR-UHFFFAOYSA-N 488.989 4.689 50 10 JJGE FC1(F)C[C@@H](CBr)N(Cc2ccc(I)c(Cl)c2)C1 2086661322 LUUVCOAFCCYPJJ-VIFPVBQESA-N 450.492 4.549 50 10 JJGE CC[C@@H]1[C@H](CBr)CCN1C(=O)c1cccc(Br)c1Br 2092328194 JFDYNPVMORJWBM-JOYOIKCWSA-N 454.000 4.847 50 10 JJGE O=C(NC[C@H](CBr)C(F)(F)F)c1ccc(Br)cc1Br 2105272311 WLPVDVKAKOARIC-LURJTMIESA-N 467.905 4.515 50 10 JJGE CC(C)(C)OC(=O)N[C@H](C[S@](C)(=O)=NC[C@@H](CBr)CC1CC1)C(C)(C)C 2112869288 RODXEFCDCPVDID-FBJHADKPSA-N 453.487 4.835 50 10 JJGE Cc1sc(C)c(S(=O)(=O)N[C@H](C)CCCCCI)c1Br 2174523007 IDEGUALDZUYDRR-SECBINFHSA-N 494.258 4.790 50 10 JJGE ClCCc1nc2ncccc2n1-c1ccc(I)c(Br)c1 2175976290 MRVGAYFUPREECR-UHFFFAOYSA-N 462.516 4.569 50 10 JJGE O=C(c1ccc2cc(Br)ccc2c1)N1C[C@@H](Br)[C@H](Br)C1 2196129576 OGRGIXKDXOTIQX-ZIAGYGMSSA-N 461.979 4.585 50 10 JJGE C[C@@]12CC[C@@](CBr)(C1)N(C(=O)c1cc(Br)ccc1Br)C2 2199514664 DSDRGGWCWAWWMA-CABCVRRESA-N 466.011 4.991 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCc2ccc(Cl)cc2Cl)C1 2212515522 BLANFZJUIFEBFF-UONOGXRCSA-N 472.150 4.933 50 10 JJGE Cc1cccc([C@H](CI)OCCOCCOCCOCc2ccccc2)c1 2236089103 PARKXFZSHGBIIM-QFIPXVFZSA-N 484.374 4.738 50 10 JJGE CC(C)CN(C[C@H](C)Br)C(=O)c1ccc(Cl)c(I)c1 2272459842 LHAFRVDMVDKRSU-JTQLQIEISA-N 458.565 4.826 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H]2CC[C@H](Br)C[C@H]2C1 2283660554 CMCJJFPQLJGCJY-SRVKXCTJSA-N 468.560 4.580 50 10 JJGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C)cc3)nc3c(C)cccn3c2=O)cc1 2296718549 VDBWEWBQECUGHG-UHFFFAOYSA-N 466.497 4.658 50 10 JJGE O=C(N[C@H](CCCl)COCc1ccccc1)c1cc(Cl)ccc1I 2303706533 DAZHFRPZFZRIPG-OAHLLOKOSA-N 478.157 4.889 50 10 JJGE COc1cc(C=C(C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccc(Cl)cc1Cl 2313738824 RDFOSAATQFNPCD-IBGZPJMESA-N 461.345 4.783 50 10 JJGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 2320506690 PGDYFPRZLCGFKG-UHFFFAOYSA-N 496.972 4.882 50 10 JJGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 14034517 DVGUQFCRBGZOMG-UHFFFAOYSA-N 491.613 4.640 50 10 JJGE CN1/C(=C(/C#N)C(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)Sc2ccccc21 21097875 MMDDGQDTEIRIFT-HMMYKYKNSA-N 470.963 4.940 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(C)cc1 33793417 VHEUQCRPYIOVLX-UYRXBGFRSA-N 457.442 4.677 50 10 JJGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCC)c2)c1 38684947 VYDCNMMAZRJXOB-RUZDIDTESA-N 456.498 4.921 50 10 JJGE CCCc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 40569395 JISHQFOXZHUAHL-QRWLVFNGSA-N 460.361 4.505 50 10 JJGE Cc1ccc(Sc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40650327 VEHLAIFVHWPTSB-UHFFFAOYSA-N 480.333 4.673 50 10 JJGE Cc1nn(C)c(COc2ccc(Br)cc2CBr)c1Br 91324659 ZVAGCBIZONSGMP-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE CCOC(=O)c1cccc(NC(=O)[C@@H](Br)[C@H](Br)c2ccccc2)c1 101642798 FOQBMBNBWMEGGZ-CVEARBPZSA-N 455.146 4.702 50 10 JJGE Cc1ccc(C(C)C)c(OCCOc2ccc(C=NNC(=O)CSc3nnc(C)s3)cc2)c1 254612812 MTNRRMMYCRPSBH-UHFFFAOYSA-N 484.647 4.979 50 10 JJGE Cc1ccnc2c1nc(CCl)n2-c1ccc(I)cc1Br 312300817 UGQBBZHWIFEZDE-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE CC[C@@H]1[C@@H](CBr)CCN1c1ncc(C(F)(F)F)cc1I 686106310 ISMFUJHLTORGDM-LDYMZIIASA-N 463.079 4.705 50 10 JJGE Cc1cccc(C(=O)N2CCCC[C@@H]2[C@@H](C)CBr)c1I 696711015 JRGPBPCIUUIIIR-GXTWGEPZSA-N 450.158 4.625 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C2CCC1(CBr)CC2 722992832 ZICHVQSVOJDKLV-UHFFFAOYSA-N 451.984 4.744 50 10 JJGE O=C(NCC[C@@H]1CCOC1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238803 XGQINJNRVUFBBF-KUHUBIRLSA-N 474.932 4.623 50 10 JJGE O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NNc1ccc(F)c(F)c1F 728716808 FVBFTOGRLRKFQD-UHFFFAOYSA-N 467.407 4.551 50 10 JJGE CC(C)c1ccc([C@@H](NC(=O)NNC(=O)c2cc(Br)c[nH]2)c2cccs2)cc1 913627824 AVLQCHHLDYHIQE-GOSISDBHSA-N 461.385 4.696 50 10 JJGE Cc1ccc(C)c(-c2nn(CC(=O)N/N=C3\C[C@H]4CC[C@@]3(C)C4(C)C)c(=O)c3ccccc23)c1 1087404843 BNVUBJWHCMIBQW-CWIMFYILSA-N 456.590 4.999 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865707570 ZWCNTMFDMUVSNP-NRFANRHFSA-N 471.344 4.782 50 10 JJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865715152 XZISLAIBKPVIRP-GOSISDBHSA-N 472.288 4.573 50 10 JJGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)/C=C/c1ccc([N+](=O)[O-])s1 1865759285 RVAYBRAOIYOMDO-FPYGCLRLSA-N 477.329 4.808 50 10 JJGE Cc1cc2cc(CC(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)ccc2nc1O 1866916191 UFLQSHZKJGRXFP-VWLOTQADSA-N 496.592 4.731 50 10 JJGE Fc1cc2c(cc1I)nc(CCl)n2CC1CC(Br)C1 1887928890 RBMFTZFHJKDFLF-UHFFFAOYSA-N 457.512 4.692 50 10 JJGE Cn1ncc(Br)c1[C@H](Br)c1sc(Cl)cc1I 1901026810 TWALLDXTJGNPDW-ZETCQYMHSA-N 496.393 4.986 50 10 JJGE O=C(NCC[C@H]1CCC[C@H]1Cl)c1cc(I)ccc1Br 1913712609 DRYWEGSNTXHHFO-NOZJJQNGSA-N 456.549 4.581 50 10 JJGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)C(=O)[C@@H](Br)C2CCCC2)C1 1974639335 AMEVWENXUPUDMR-IBGZPJMESA-N 467.404 4.520 50 10 JJGE CC[C@H](CCCBr)NC(=O)c1cc(I)ccc1Br 2036514104 QXYJLIOVURZKHC-SNVBAGLBSA-N 488.989 4.737 50 10 JJGE C[C@H](Br)[C@H](NC(=O)c1cc(Br)c(Br)s1)C(F)(F)F 2074715221 DSQVQZWZWRRCMC-DZSWIPIPSA-N 473.934 4.717 50 10 JJGE O=S(=O)(C[C@H](Br)c1cc(Br)c(Br)s1)N1CCCCC1 2089393443 KAOZQLQXZQMOHC-VIFPVBQESA-N 496.084 4.525 50 10 JJGE C[C@H](Br)C[C@@H]1CCCN1C(=O)c1cccc(Br)c1Br 2092339558 FWGYMYKAVMENSD-UWVGGRQHSA-N 454.000 4.990 50 10 JJGE CC(C)([C@@H]1CCCO1)[C@H](Br)c1cc(I)cc2c1OCC2 2149609331 IJORMYOWMZGACG-DZGCQCFKSA-N 451.142 4.867 50 10 JJGE FC(F)[C@@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(Br)cnc21 2193242685 HPOFXLCDPLOJEL-GDBMZVCRSA-N 455.734 4.871 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1[C@@H](CCl)CCC12CCC2 2205771892 WWYXWMJHDNDLOI-LLVKDONJSA-N 468.560 4.820 50 10 JJGE Cc1cc(C(=O)N(C)C[C@H](Br)C2CCCC2)ccc1I 2207109607 ZGHZZPJWUSZMIL-AWEZNQCLSA-N 450.158 4.625 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N(CCBr)C1CCC1 2277932690 LNYBXBUVKUWIGR-UHFFFAOYSA-N 454.000 4.530 50 10 JJGE CC(C)N(C[C@H](C)Br)C(=O)Cc1cc(Br)cc(Br)c1 2277937109 SKAIAUFMUJWSND-JTQLQIEISA-N 456.016 4.775 50 10 JJGE Cc1cc(C(=O)N(C[C@H](C)Br)CC(C)(C)C)ccc1I 2288052635 PSLZSBVYSJFPPU-LBPRGKRZSA-N 452.174 4.871 50 10 JJGE COc1ccc(C=C(C#N)C(=O)Nc2nccs2)cc1COc1c(F)c(F)c(F)c(F)c1F 2295623508 NHGGQBMJVNXBIS-UHFFFAOYSA-N 481.402 4.972 50 10 JJGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 2313568758 YHFLXDBECZKHEU-UHFFFAOYSA-N 489.963 4.912 50 10 JJGE CCCCCCCOc1ccc(C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 2314620345 NSHXHTAJUPWPHX-UHFFFAOYSA-N 496.604 4.980 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc(OCC)c(OCC)c(OCC)c2)cc1 2314777309 YKAZRSXXSLVTQU-UHFFFAOYSA-N 480.561 4.925 50 10 JJGE CC(=NNC(=O)c1ccc(-c2ccc(Cl)cc2)nc1C)c1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 2321260841 HEIIWOKUWHLBRN-MRXNPFEDSA-N 462.937 4.608 50 10 JJGE N#CC(=C(O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(F)c(F)c2)cs1 2331352309 GEDKXEXEPDQZGZ-UHFFFAOYSA-N 496.451 4.866 50 10 JJGE Cc1nc(Br)c([C@H](Br)[C@H](C)c2ccncc2Br)n1C 2337270982 RAUHNMYWDHCGMT-RDDDGLTNSA-N 451.988 4.888 50 10 JJGE Cc1ccc(C(=O)N(C[C@H](C)Br)C2CCCC2)cc1I 2368847352 NXCRDOLTJQVWIN-LBPRGKRZSA-N 450.158 4.768 50 10 JJGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1c(O)ccc2ccccc12 12583642 PBJMPYIJYXPWJF-LSHDLFTRSA-N 478.140 4.600 50 10 JJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2Cl)cc1 14029083 BYEGCCRQHKJUPV-UHFFFAOYSA-N 468.406 4.902 50 10 JJGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(C)c2)CCC3)cc1 40811371 IBKCDSPSLXPYNB-XHLNEMQHSA-N 473.529 4.796 50 10 JJGE COc1cc([C@@H](C(=O)NC2CCCCC2)N(CCC2=CCCCC2)C(=O)CCl)ccc1O 97914635 NRGRZACYXPDBIE-DEOSSOPVSA-N 463.018 4.849 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CCCCC[C@@H]2Cl)cc1Br 136223851 HXHUBTOGYPZDTO-QWHCGFSZSA-N 459.631 4.738 50 10 JJGE CN(C(=O)c1cc(Br)ccc1Br)[C@H]1CCCC[C@H]1Br 157974846 OPLPYEHKWWTDBX-OLZOCXBDSA-N 454.000 4.990 50 10 JJGE C=CC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NS(=O)(=O)c1ccc(C)cc1 202802860 LBOGENONRVIXPK-XMMPIXPASA-N 493.745 4.795 50 10 JJGE CN(C(=O)c1cc(Br)ccc1I)[C@H]1CCCC[C@H]1Cl 234318416 WUMHJVJJDHTAJV-YPMHNXCESA-N 456.549 4.676 50 10 JJGE CCCOc1ccccc1C=NNC(=O)/C(=C/C=C\c1ccccc1)NC(=O)c1ccccc1 252624577 PRBMWWYOCVGUGL-NYVSOPMNSA-N 453.542 4.953 50 10 JJGE Cc1ccc(Cn2c(SCC(=O)NN=Cc3ccc([N+](=O)[O-])cc3)nc3ccccc32)cc1 254301993 PUAJPVUJSNLKFS-UHFFFAOYSA-N 459.531 4.544 50 10 JJGE COc1ccc(C(=O)NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1OC 254462062 DCQHRXJMDQDCQV-UHFFFAOYSA-N 454.482 4.840 50 10 JJGE C[C@H](Br)C[C@@H]1CCCN1C(=O)c1cc(Br)cc(Br)c1 302570010 AOXQNMYFOAETAW-ZANVPECISA-N 454.000 4.990 50 10 JJGE C[C@@H]1CC[C@H](Br)CN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 399375324 UKWBMWYXYIAOFJ-SFYZADRCSA-N 466.022 4.692 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)c2cc(F)ccc2F)c(-c2ccc(Cl)cc2)n1 782092489 FNUNKMPCDIYJKK-MHWRWJLKSA-N 480.858 4.728 50 10 JJGE C[C@H]1CCCN(Cc2ccc(CNC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)cc2)C1 918573833 CXNVTAFVPLMBLE-PKNRUHJYSA-N 492.627 4.919 50 10 JJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(Cl)cc2Cl)c2ccccc2F)cc1 1084065400 ZVPLOVOOBIMKKW-UHFFFAOYSA-N 494.375 4.787 50 10 JJGE COc1cc(C=NNC(=O)C(=O)Nc2ccccc2F)ccc1OCc1ccc(Cl)cc1Cl 1084086487 UHLCAAFTQYSQBF-UHFFFAOYSA-N 490.318 4.809 50 10 JJGE Cc1c(C=NNC(=O)CC[C@H](O)c2ccccc2)c2ccccc2n1Cc1ccccc1C#N 1084490396 FJRUZSGYXJZFPG-MHZLTWQESA-N 450.542 4.834 50 10 JJGE COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C=NNC(=O)c2ccncc2)c1 1084639599 RRWMCBSLGJADRS-UHFFFAOYSA-N 460.368 4.573 50 10 JJGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772752035 RZAVGZWZOIXSJC-UHFFFAOYSA-N 454.486 4.565 50 10 JJGE COc1cc(C=NNC(=O)CSc2nc3ccccc3o2)ccc1OCc1ccccc1C 1772760625 ZNGDAWPUXWYNBZ-UHFFFAOYSA-N 461.543 4.966 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccccc1C(=O)O 1865704177 PJQVQZZHNLGWAS-QFIPXVFZSA-N 466.472 4.654 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705652 BCODFLMJMBBXQE-INIZCTEOSA-N 493.804 4.869 50 10 JJGE Cc1ccc(-c2ccc(C(=O)NNC(=O)Cc3ccc(Br)s3)c(C)n2)cc1C 1865756128 HXEWANBSFHFDGS-UHFFFAOYSA-N 458.381 4.502 50 10 JJGE COc1ccc(CCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1 1865759608 JIBIQLZHJCOWLA-UHFFFAOYSA-N 458.345 4.766 50 10 JJGE CC(C)(NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867193046 KYPXZGRPMXHGSB-UHFFFAOYSA-N 496.596 4.994 50 10 JJGE CC[C@@H](CCCBr)NC(=O)c1cc(Br)ccc1I 2036514780 XZWQMEWYOFNZIV-JTQLQIEISA-N 488.989 4.737 50 10 JJGE C[C@H]1CN(C(=O)c2cc(Br)sc2Br)CC[C@H]1CBr 2046681104 YEJNHOVWPIYBGH-YUMQZZPRSA-N 460.029 4.766 50 10 JJGE CC(C)[C@H](Br)c1cn(-c2cc(I)ccc2Br)nn1 2057428867 HQNVDIWWAWLJOV-LBPRGKRZSA-N 484.961 4.726 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@@H]2CCCC(C)(C)O2)C1 2065757144 UNIZCAKWSPWQOT-KXBFYZLASA-N 467.388 4.555 50 10 JJGE O=C(NC1CC([C@H](F)CBr)C1)c1cc(Br)sc1Br 2078362780 YSUSTZYTORONSU-NPWHJSNTSA-N 463.992 4.515 50 10 JJGE CC1(C)[C@@H](CBr)CCN1C(=O)c1cccc(Br)c1Br 2095202773 RDOVMOYIWLXCCY-SECBINFHSA-N 454.000 4.847 50 10 JJGE COc1ccc([C@H](Br)c2nn(C)c(Br)c2C)c(Br)c1 2111927127 UTKJFXOWVCRBCW-NSHDSACASA-N 452.972 4.746 50 10 JJGE CCOC(=O)C12CC(CI)(C1)O[C@@H]2c1cccc(NC(=O)OC(C)(C)C)c1 2162150725 YPAOIHLTBJDGPG-APMMTJHUSA-N 487.334 4.622 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](Cl)C2(CCCC2)C1 2174378263 CDHUWLXJQQSOEK-CYBMUJFWSA-N 468.560 4.677 50 10 JJGE C[C@H](CCCCCI)NS(=O)(=O)c1cc(Cl)cc(Cl)c1 2174527592 UMGJPXDHTPCDQN-SNVBAGLBSA-N 450.169 4.656 50 10 JJGE O=C(NC[C@]12CCC[C@@]1(CCl)C2)c1ccc(Br)cc1I 2208036418 NDHJHKWGFVZKKW-LSDHHAIUSA-N 468.560 4.583 50 10 JJGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCc1ccc(C(F)(F)F)cc1 2223312553 RVGUTUQRSFZPSV-MRXNPFEDSA-N 473.273 4.940 50 10 JJGE Cc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CCBr)cc1I 2232832634 FDRAVTLPPIJULN-IUODEOHRSA-N 450.158 4.625 50 10 JJGE Cc1ccc(C(=O)N[C@H]2C[C@H](Br)CC(C)(C)C2)cc1I 2232833007 JMUFMHRLTWTRGX-STQMWFEESA-N 450.158 4.672 50 10 JJGE BrC[C@@H]1CC[C@@H]2CN(Cc3cccc(Br)c3Br)C[C@@H]2O1 2289347187 IHMGGBYPOPMISW-OSMZGAPFSA-N 468.027 4.586 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CCC[C@H](CCBr)C1 2295308631 ZOOHQMCZQMZVOU-LLVKDONJSA-N 468.027 4.778 50 10 JJGE CCCCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)CC(C)(C)CI 2306819829 XYYUIXQHVYDUBZ-MRXNPFEDSA-N 452.421 4.949 50 10 JJGE COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(C)=C(C#N)C2=O)cc1 2314621155 ZVLUKKMSOIMNSB-UHFFFAOYSA-N 483.480 4.698 50 10 JJGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)COc2c(C)cc(Br)cc2C)c1 2314759972 BPOXAXXIFOOWTP-UHFFFAOYSA-N 458.308 4.520 50 10 JJGE CC(=O)c1ccc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2318455366 RXYPCNDQEXIKOL-UHFFFAOYSA-N 464.569 4.642 50 10 JJGE COc1cc(CC(CBr)(CBr)C2CCC2)c(Br)cn1 2336961107 JNPAADYKFHHHRO-UHFFFAOYSA-N 456.016 4.972 50 10 JJGE C[C@@H](CBr)[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1I 2365590875 CYKVRLUBUWVJKJ-IINYFYTJSA-N 470.576 4.970 50 10 JJGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccccc1-c1ccccc1 9231562 OIQPWAMSSKUJBN-UHFFFAOYSA-N 497.389 4.845 50 10 JJGE CC(C)Oc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1Br 14658967 BEOXLJZLWOGCAR-OAHLLOKOSA-N 471.351 4.618 50 10 JJGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(C)cc1Br 14768704 MSCOMFIGHBAGLR-QFIPXVFZSA-N 497.389 4.808 50 10 JJGE CCOc1c(Br)cc(/C=C(/C#N)c2nc3ncc(Br)cc3[nH]2)cc1OC 33529300 SROOZENDGBUASV-WCIBSUBMSA-N 478.144 4.954 50 10 JJGE CC1=CC(C)(C)N2C(=O)C(=C(C#N)C#N)c3cc(OC(=O)/C=C\c4cccc([N+](=O)[O-])c4)cc1c32 33758575 YHRLRDBYDBOMIJ-FPLPWBNLSA-N 466.453 4.556 50 10 JJGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)N4c5ccccc5C[C@@H]4C)c(C)c32)c1 40822227 BHLWZNGZWMADBA-KZGYCHBNSA-N 457.530 4.658 50 10 JJGE COc1ccc(C(=O)N/N=C2/C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)cc1OC 59147731 UOVHMCAELKOAMY-TVKQRKNISA-N 491.547 4.974 50 10 JJGE COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)ccc1OCc1ccccc1 59447267 OYJCZGYXEJWRIG-ZMOGYAJESA-N 455.308 4.506 50 10 JJGE Cn1ccnc1Sc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 59501529 IZZMBAMMNLAEGT-LSHDLFTRSA-N 450.307 4.550 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2CCCCC[C@H]2Cl)cc1Br 136223981 HXHUBTOGYPZDTO-OLZOCXBDSA-N 459.631 4.738 50 10 JJGE COc1cc(/C=N\NC(=O)Cc2cc(Cl)ccc2SC)cc(Br)c1OC 169922831 NFJITXRIRRXNAZ-FBHDLOMBSA-N 457.777 4.534 50 10 JJGE O=C(N/N=C/c1ccccc1C(F)(F)F)c1cc(-c2ccccc2)nc(N2CCCCC2)n1 169927415 KIOHUZNKMDOVSR-LQKURTRISA-N 453.468 4.917 50 10 JJGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc3c(c2)CCCC3)cc1OC 254701807 VIIRDRPPZWNJEW-KJSJMMEJSA-N 497.595 4.894 50 10 JJGE Cc1c(F)cccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382689441 LTFUJVGRTYFLTP-WMZOPIPTSA-N 453.295 4.921 50 10 JJGE C[C@]12CC[C@@H](OC(=O)CBr)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O 504791313 NINRIIHMWQEVEA-SHGTVIRLSA-N 495.454 4.550 50 10 JJGE C[C@H]1C[C@H]([C@@H](Br)c2cc(I)cc3c2OCC3)C[C@@H](C)O1 724390992 RVXKSNMWYXTGKW-KVQFHVITSA-N 451.142 4.866 50 10 JJGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2C)CCC3)c(OC)c1 1772744437 XJEJGQITOUENPE-UHFFFAOYSA-N 461.518 4.636 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1cccc(Br)c1 1865683853 JNSVSHWOSUZJSZ-MRXNPFEDSA-N 475.268 4.931 50 10 JJGE CC(C)C[C@H](C(=O)NCCCl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865899515 KEKONTCUGLMXTP-SSDOTTSWSA-N 460.572 4.666 50 10 JJGE CCOC(=O)c1c(C)nn(-c2cccc(F)c2)c1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1 1866128178 AYZVUCVCIFIJKJ-LFIBNONCSA-N 452.873 4.696 50 10 JJGE COc1ccccc1-c1csc(/C(C#N)=C(\O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 1872747080 MQCIWKQMNQETJL-QUPCICMCSA-N 459.527 4.932 50 10 JJGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)c1 1873921166 XSKINHLJLNJTTD-PGMHBOJBSA-N 452.492 4.751 50 10 JJGE C[C@H]1CC[C@](CCl)(NC(=O)c2ccc(I)c(Br)c2)C1 1880930660 DHGIXUCLZVKACQ-XPTSAGLGSA-N 456.549 4.581 50 10 JJGE CCOc1c(Br)cc(C[C@H](CBr)NC(=O)OC(C)(C)C)cc1OC 2008715077 CURLZNCWSZJOHL-GFCCVEGCSA-N 467.198 4.687 50 10 JJGE C[C@H]1C[C@H](Cl)CCN(C(=O)c2ccc(I)c(Br)c2)C1 2103287700 QKDTYLATDWNHNK-GXSJLCMTSA-N 456.549 4.533 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@@H](CBr)C(F)(F)C1 2148752751 PPGFYLKSFOBGBW-QMMMGPOBSA-N 475.953 4.704 50 10 JJGE BrCC(CBr)(COC[C@H]1CCCO1)c1cccc(Br)c1 2149036206 NTRLSUDBSOJQTM-CQSZACIVSA-N 471.027 4.672 50 10 JJGE C[C@@H]1Cc2cc([C@@H](Br)c3cn(C)nc3Br)cc(Br)c2O1 2173182120 IWGLKXHFRZGKHO-JMCQJSRRSA-N 464.983 4.753 50 10 JJGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 2235952726 RUOOTDOPYQLVJL-OAHLLOKOSA-N 466.319 4.950 50 10 JJGE O=C(NCC1(CBr)CC(F)(F)C1)c1cc(Br)ccc1Br 2281660811 RTKLOYPYRMFNPU-UHFFFAOYSA-N 475.953 4.752 50 10 JJGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCCc3ccccc3)N(c3ccccc3)C2=O)cc1 2296506858 ILRBIPQEMQORIO-VWLOTQADSA-N 467.594 4.780 50 10 JJGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3cc(C)cc(C)c3)nc3ccccn3c2=O)cc1 2296543645 UOGNZRHRXCTVET-UHFFFAOYSA-N 450.498 4.958 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc([N+](=O)[O-])ccc1Cl 2314753238 OIXGUEFOXRODOB-UHFFFAOYSA-N 495.875 4.682 50 10 JJGE CC1(C)CN(Cc2ccc(I)c(Br)c2)C[C@@H]1CBr 2325226687 RPBJLVAPJPBRKQ-NSHDSACASA-N 487.017 4.907 50 10 JJGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)c1 2331325093 JEZUIBZQBKEIIQ-UHFFFAOYSA-N 475.526 4.782 50 10 JJGE CC(C)[C@@H]1C[C@H](Br)CN1C(=O)c1ccc(I)c(Cl)c1 2344768789 JGZNCHDCGXUBMV-GWCFXTLKSA-N 456.549 4.579 50 10 JJGE CC12CC(C1)[C@@H](CO[C@@H](CI)c1ccccc1Br)CO2 2365844781 HCIKTWXVTKHDHQ-IAWSLSPSSA-N 451.142 4.757 50 10 JJGE O=C(c1sccc1I)N1CC[C@H](C2CCC(Br)CC2)C1 2381280065 BPOCBRDXYKYRAD-CXQJBGSLSA-N 468.198 4.769 50 10 JJGE CCOc1ccccc1N1C(=O)N=C(O)/C(=C\c2ccc3c(c2)CCN3CCCCl)C1=O 2235034 RVOVCZWZOMNMNB-OBGWFSINSA-N 453.926 4.583 50 10 JJGE C/C(=N\NC(=O)CNc1cc(Br)c(Br)cc1Br)C(C)C 21966594 YOXZEQWPACQRED-QGMBQPNBSA-N 470.003 4.534 50 10 JJGE O=C(NNc1ncnc(Nc2cccc(Cl)c2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40648629 VJVAWDKAGNBTGN-UHFFFAOYSA-N 453.673 4.846 50 10 JJGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)c1 40823080 FNHSOVDCSMDATM-OVVQPSECSA-N 481.350 4.777 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(CC)cc2Br)cc1 40993125 TTWFHMLVDRQDTH-CPNJWEJPSA-N 485.378 4.819 50 10 JJGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 59148835 RAJRFQORSPXFEM-HEOQCTJZSA-N 492.536 4.758 50 10 JJGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1O 59304491 SMJICDUGPDBGIH-OGLMXYFKSA-N 455.514 4.939 50 10 JJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2cccnc2)cc1C 95548552 MAUZMLVRUXQEQQ-HZHRSRAPSA-N 463.541 4.865 50 10 JJGE Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)/C=C/c1ccc(Oc2cccnc2)c(F)c1 109973470 SWOIHCRBPQWJDF-ZRDIBKRKSA-N 474.517 4.919 50 10 JJGE O=C(O)C(CBr)(CBr)Cc1ccc(Br)c(Br)c1 200606658 YPUZQOSDRFMSSM-UHFFFAOYSA-N 493.815 4.615 50 10 JJGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C1=O 214224722 HAXDZGRNWCNBIK-HAHDFKILSA-N 481.512 4.840 50 10 JJGE N#C/C(=C/N1CCN(c2ccccc2F)CC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217250539 YFKIGNUVDWAWLF-YPKPFQOOSA-N 452.839 4.666 50 10 JJGE O=C(NC[C@H]1CCCC[C@@H]1Cl)c1cc(I)ccc1Br 236026655 KZAYSDWDRGFAQL-RNCFNFMXSA-N 456.549 4.581 50 10 JJGE Cc1cccc(NC(=O)C(=O)NN=Cc2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)c1 254815465 BAGOXAUTHITOQS-UHFFFAOYSA-N 465.509 4.765 50 10 JJGE O=C(NNc1ccc(F)c(F)c1F)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 728715462 HUTWYWVBULHCBW-UHFFFAOYSA-N 465.273 4.688 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)c(C)n1CC(C)C 855283724 DRCPSURWCPAEIS-CPOKCXMASA-N 462.594 4.839 50 10 JJGE CC(=NNC(=O)CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccccn1 1083949670 AOZIGTBMRHGUFM-UHFFFAOYSA-N 484.629 4.860 50 10 JJGE Cc1cccc(C(=O)NCC(=NNC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc2)c1 1088687492 XJIOFTHSEQZBGY-UHFFFAOYSA-N 470.451 4.849 50 10 JJGE O=[N+]([O-])c1ccc(Cl)cc1[C@@H]1CN(Cc2ccccc2)C[C@H]1CI 1614614455 ITGPOXXALIJRDJ-RHSMWYFYSA-N 456.711 4.899 50 10 JJGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743704 JNILCIDRAKOTIH-UHFFFAOYSA-N 466.881 4.872 50 10 JJGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1)CCC2 1772745344 YNKCPIAIWGBLNY-UHFFFAOYSA-N 451.910 4.973 50 10 JJGE Cc1ccc(CC(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)o1 1867258483 YRPATURKPPVHOG-QFIPXVFZSA-N 465.600 4.761 50 10 JJGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1C 1872758211 PSGJFIKVZRYSQN-GTOLFZDISA-N 459.527 4.913 50 10 JJGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(Br)cs1 1915070016 QXVOUGSGORVBJX-ZDUSSCGKSA-N 467.248 4.875 50 10 JJGE O=S1(=O)CCCC[C@@H]1[C@@H](Br)c1sc(Br)cc1Br 1922935810 SJMSFBNXTXLGDX-VXNVDRBHSA-N 467.042 4.676 50 10 JJGE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCCSSCCNC(=O)OC(C)(C)C 1985349516 AFCLJBHXSJLWSB-IRXDYDNUSA-N 463.710 4.518 50 10 JJGE O=C(N[C@H](CBr)CC(F)(F)F)c1csc(Br)c1Br 2032959075 SZHRXDCETOSGDN-BYPYZUCNSA-N 473.934 4.719 50 10 JJGE C[C@@H](Br)[C@@H](NC(=O)c1cc(Br)sc1Br)C(F)(F)F 2074717211 RHMAUUBBCQKMKW-AWFVSMACSA-N 473.934 4.717 50 10 JJGE CC[C@@H](C)N(CCBr)C(=O)c1ccc(Br)cc1I 2086147831 SLZHONHQEBMBMN-SECBINFHSA-N 488.989 4.689 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@H](Br)[C@H]1C1CC1 2130608425 SXGKPQCQXXZSCM-WCQYABFASA-N 451.984 4.600 50 10 JJGE CCCN1CCC[C@@H]([C@H](Cl)c2scc(Br)c2Br)S1(=O)=O 2145766943 HOHTVYMAYYVFLA-ONGXEEELSA-N 465.660 4.757 50 10 JJGE O=C(NC[C@]1(CBr)C[C@H]1C(F)(F)F)c1cc(Br)c(Cl)s1 2192562364 IOASPOUYEQZLJN-GMSGAONNSA-N 455.521 4.857 50 10 JJGE CCN(CCCl)CCC[C@H](C)Nc1ncc(I)cc1Br 2204126953 SLFAOUJTIWUVDW-NSHDSACASA-N 474.612 4.590 50 10 JJGE CC(C)(C)OC(=O)N1CC[C@H](C2CCN(CCCCCI)CC2)C1 2214707507 DJABDTIIMABQFM-KRWDZBQOSA-N 450.405 4.561 50 10 JJGE CCN(C(=O)c1cc(Cl)ccc1I)[C@H]1CCC[C@H]1Br 2224419290 HFTMPQDZGAYUJU-YPMHNXCESA-N 456.549 4.723 50 10 JJGE CCC[C@@H](Br)CCNC(=O)Cc1cc(Br)cc(Br)c1 2277920073 YFAJSOSNOYUKQH-LLVKDONJSA-N 456.016 4.824 50 10 JJGE C[C@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@]1(C)CBr 2295316937 FZXQNIZFPKMBQS-BONVTDFDSA-N 468.027 4.634 50 10 JJGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OC 2313519020 QQRHBXISIWAGFZ-UHFFFAOYSA-N 468.678 4.507 50 10 JJGE C[C@H](C(=O)Oc1ccc(C=C(C#N)c2ccc(Cl)cc2)cc1)N1C(=O)c2ccccc2C1=O 2320506733 QHCVYVSGNGARPG-MRXNPFEDSA-N 456.885 4.994 50 10 JJGE CCOc1cc(OCC)c([N+](=O)[O-])cc1C=NNC(=O)c1nc(-c2ccccc2)sc1C 2323752507 NHYCSULITWKIJS-UHFFFAOYSA-N 454.508 4.588 50 10 JJGE BrCc1ccncc1OCc1ccc(I)c(Br)c1 2325387560 YUMVAXVBWQTDIT-UHFFFAOYSA-N 482.941 4.923 50 10 JJGE O=C(CCn1ccc2ccccc21)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 2326843756 ASSLLLWPSNCNDU-UHFFFAOYSA-N 456.933 4.752 50 10 JJGE CC(C)[C@H]1C[C@@H](Br)CN1C(=O)c1ccc(Cl)c(I)c1 2344768393 HOLRYKVZRYZCNX-ZWNOBZJWSA-N 456.549 4.579 50 10 JJGE Cc1cccc(Oc2c(CBr)c(C(F)F)nn2C)c1I 2365321222 RSYNDGPOMPBRRE-UHFFFAOYSA-N 457.056 4.958 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CCC[C@@H](CCBr)CC1 2365593812 WQNNMVQTRVANLW-NSHDSACASA-N 470.576 4.972 50 10 JJGE CC(C)[C@H](Br)C(C)(C)NS(=O)(=O)c1cc(Br)ccc1Br 2366100528 QPDYAVIJOKOULU-LBPRGKRZSA-N 492.071 4.688 50 10 JJGE O=C(COc1ccccc1)N/N=C/c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 3073325 FIDZFGMOKGBWJF-YDZHTSKRSA-N 464.528 4.885 50 10 JJGE CCC[C@@H](C)c1nc(N2CCN(C(=O)C(C)(C)CCl)CC2)c2cnn(-c3ccccc3)c2n1 35925827 AXXSYPIIWJAQMR-GOSISDBHSA-N 469.033 4.633 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@H]1c1ccc(Cl)cc1 38687752 UZVFPOKGFGQGSU-HSZRJFAPSA-N 470.868 4.884 50 10 JJGE Cc1cc(C)c(OCC(=O)N/N=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)c(C)c1 59153935 BACWFVTUKJLUFQ-RMLRFSFXSA-N 461.949 4.711 50 10 JJGE COc1cc(Cl)c(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1OC 66202191 WPDIESYFMMQDEJ-VULFUBBASA-N 451.910 4.682 50 10 JJGE Cn1c2ccccc2c2cc(C=NNC(=O)[C@@]3(C)CC3(Br)Br)ccc21 252633324 WCIAJCIVTDTNOA-GOSISDBHSA-N 463.173 4.678 50 10 JJGE O=C(NC[C@H]1CCC[C@H](Br)C1)c1scc(Br)c1Br 705405235 HRIOHYMZWNRWDX-YUMQZZPRSA-N 460.029 4.957 50 10 JJGE COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 1084004805 GORSRXYMAYWACC-KPKJPENVSA-N 484.133 4.853 50 10 JJGE CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC 1084435472 JKOREBUJNJOJFJ-CXUHLZMHSA-N 476.314 4.861 50 10 JJGE COc1ccc(C(=O)NN=Cc2cc(Br)ccc2OCc2cccc(F)c2)cc1OC 1084576267 NDXHLPNNDBCOLZ-UHFFFAOYSA-N 487.325 4.948 50 10 JJGE CCOc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)cc1OCC 1614620817 HKYJUBKDQAGSIS-HZPDHXFCSA-N 475.367 4.870 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2ccc([N+](=O)[O-])cc2Cl)C1 1614634864 GXJKVXGHKWQGCU-RHSMWYFYSA-N 453.720 4.995 50 10 JJGE CC(/C=C/C=C/c1ccccc1)=N\NC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 1616088090 VBJBUXRYMVWCGM-YUDLHJDFSA-N 479.536 4.948 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc(C)cc2Br)ccc1OCCc1ccccc1 1772754407 UWUCDZWJUIEAJV-UHFFFAOYSA-N 497.389 4.917 50 10 JJGE COc1cc(C=NNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc(Br)c1OC 1772756175 MUUJJUITURKNLC-AWEZNQCLSA-N 463.372 4.681 50 10 JJGE CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)C(=O)Nc1ccc(SC#N)cc1 1860749674 MSNDLYWFSXTZLS-UHFFFAOYSA-N 496.526 4.650 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1cccc(O)c1 1865681253 ISQMOXBAHUEUON-MRXNPFEDSA-N 464.806 4.666 50 10 JJGE CC(C)(C)OC(=O)N1CCN(C[C@@H](CBr)C(C)(C)C)CCN1C(=O)OC(C)(C)C 1959577185 YMDURNLJQJESCV-MRXNPFEDSA-N 478.472 4.748 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C 2010828959 OHYBSTGAWVBIEO-GVDBMIGSSA-N 475.721 4.516 50 10 JJGE CN([C@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(CCl)sc1Br 2038806531 ILGJGOIPEWCTTF-GJZGRUSLSA-N 464.834 4.618 50 10 JJGE Cc1ccc(Cn2nc(C)c(C=CC(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)c2Cl)cc1 2040426668 ZHARHNUESFGRMZ-UHFFFAOYSA-N 487.947 4.600 50 10 JJGE CC(C)[C@H](Br)[C@H](C)NC(=O)c1ccc(I)c(Br)c1 2041298724 DAZPTOCWNMTBSH-UFBFGSQYSA-N 488.989 4.592 50 10 JJGE C[C@H](Br)C[C@@H](C)CNC(=O)c1ccc(Br)cc1I 2086151729 RUXVETLEUSDRKQ-BDAKNGLRSA-N 488.989 4.593 50 10 JJGE O=C(NC[C@H]1CCCC[C@@H](Br)C1)c1cc(I)ccc1F 2169664877 SZNCFCZGRUEPPH-WDEREUQCSA-N 454.121 4.504 50 10 JJGE COC[C@@](C)(CC(CBr)(CBr)c1ccccc1Br)OC 2198254789 SEXYCYLXPJKMBF-CQSZACIVSA-N 473.043 4.918 50 10 JJGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@@H](Br)[C@H]1CC2 2229866847 YZAHHFHRPZYHIQ-ZWKOPEQDSA-N 498.984 4.584 50 10 JJGE Cc1ccc(C(=O)N2C[C@@](C)(CBr)CC2(C)C)cc1I 2232823476 MNAQCRDCKYODPG-MRXNPFEDSA-N 450.158 4.625 50 10 JJGE Cc1cc(Br)c([C@H](Br)C2[C@@H]3CS(=O)(=O)C[C@@H]23)c(C)c1Br 2235604446 NRSCHAFGGGDQDI-NUPCCRGMSA-N 487.051 4.555 50 10 JJGE CC[C@@H](Br)[C@H]1CCCCN1C(=O)c1cc(C)ccc1I 2240922678 FDJWSKUSOSATDM-UKRRQHHQSA-N 450.158 4.768 50 10 JJGE CCC(CBr)(CBr)NC(=O)c1cccc(Cl)c1Br 2256103007 UDOHTGKHSARBPI-UHFFFAOYSA-N 462.407 4.771 50 10 JJGE C[C@H]1CC[C@H](Br)CN1C(=O)Cc1cc(Br)cc(Br)c1 2277936910 PXSLKZOEAYJJOY-ONGXEEELSA-N 454.000 4.529 50 10 JJGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CO[C@H]2COC[C@H]12 2288343946 DLBNDYXXGQBDJU-GMVJNNPSSA-N 476.937 4.587 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@@H]2CCCO2)c(C)c1 2296706009 LCHYOFWSVYNXNZ-VWLOTQADSA-N 470.573 4.839 50 10 JJGE CC(C)(C)OC(=O)N1CCC([S@](C)(=O)=NC[C@@](C)(CBr)C(C)(C)C)CC1 2352108999 AFZVESDVVPHHLX-BCHFMIIMSA-N 453.487 4.931 50 10 JJGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 14643429 RTSGCIUIQICPPY-DLBZAZTESA-N 485.378 4.601 50 10 JJGE COc1ccc(/C=N/NC(=O)c2[nH]c3ccc([N+](=O)[O-])cc3c2-c2ccccc2)c(OC)c1OC 27520391 XFOZEUCABZTFBF-VULFUBBASA-N 474.473 4.533 50 10 JJGE COc1cc(/C=C(/C#N)c2ccccc2OC)ccc1OC(=O)CCCN1C(=O)c2ccccc2C1=O 31901991 UPMIPJJDOPWINR-SILNSSARSA-N 496.519 4.750 50 10 JJGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2)cc1 38650395 KQDYCUOYARAJPJ-MRDQGFSESA-N 470.525 4.849 50 10 JJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1 38650737 LEOMADIOPKBLPL-XMMPIXPASA-N 471.469 4.821 50 10 JJGE COc1cc(/C=N/NC(=O)COc2ccccc2Br)ccc1OCCc1ccccc1 40911691 OFKZXSFLXHAXQM-WGOQTCKBSA-N 483.362 4.608 50 10 JJGE Cc1c(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c2ccccc2n1Cc1ccccc1C#N 58891111 FJRUZSGYXJZFPG-LOADRWAISA-N 450.542 4.834 50 10 JJGE CCc1nn(C)c(COc2ccc(Br)cc2CBr)c1Br 91332927 YDDVYMXLVVGWIA-UHFFFAOYSA-N 466.999 4.981 50 10 JJGE COC(=O)c1ccsc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccc(Cl)cc2)c(OC)c1 96438601 BQAQRSXLDZTQGB-WJDWOHSUSA-N 496.928 4.962 50 10 JJGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1/C(=N\NC(N)=O)CC(C)(C)C2 101110172 AMYWTKYCPIAFAR-WKIKZPBSSA-N 456.852 4.857 50 10 JJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)C1=O 101336028 NVPVBDLQFULOFU-KOEQRZSOSA-N 496.567 4.567 50 10 JJGE C[C@H](Br)C[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 228247142 LNCOTHJENZLKKK-NKWVEPMBSA-N 454.011 4.596 50 10 JJGE Cc1ccc(NCc2nnc(S[C@@H](C)C(=O)NN=Cc3ccc(C)o3)n2-c2ccccc2)cc1 252601199 DXRHPFHUWYXPMF-IBGZPJMESA-N 474.590 4.720 50 10 JJGE COc1cc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)ccc1F 382705569 SJLBLMHKRBNZMB-IAGOWNOFSA-N 469.294 4.622 50 10 JJGE CC[C@H]1[C@H](CBr)CCN1C(=O)c1cc(Br)ccc1Br 386323179 UKMXWMHDWLVDQF-ZANVPECISA-N 454.000 4.847 50 10 JJGE C[C@H]1CCC[C@@](CBr)(NC(=O)c2cccc(F)c2I)C1 721672579 NBIKTKIPFOCLLP-ZUZCIYMTSA-N 454.121 4.504 50 10 JJGE CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)NNc2ccc(F)c(F)c2F)c(Cl)cc1Cl 728718238 BMPAFSKKBSHREN-VIFPVBQESA-N 484.327 4.635 50 10 JJGE CN(CCCOc1ccccc1)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 915160986 CUXOZNJMTCCXJM-FXBPSFAMSA-N 473.964 4.952 50 10 JJGE COc1cc(C=NNC(=O)Cc2cccc3ccccc23)ccc1OCc1ccc(C(=O)O)cc1 1084067747 VRQKMYSKGVPDJW-UHFFFAOYSA-N 468.509 4.818 50 10 JJGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cc(Cl)ccc4OC)c(C)c32)cc1 1772745670 GRHVIETURFMUHJ-UHFFFAOYSA-N 481.936 4.981 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccccn2)C(C#N)=C(N)O3)cc1 1865700130 LMHBNMAJUQRHAM-NRFANRHFSA-N 455.905 4.814 50 10 JJGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)c1sc(-c2cnccn2)nc1C 1865759279 RLLXYYVMYCNFNS-UHFFFAOYSA-N 499.383 4.661 50 10 JJGE CCC[C@H](NC(=O)Cc1nc(-c2ccc(OC)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866678298 XJVMMZGSNDIJQJ-NRFANRHFSA-N 478.574 4.698 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 1867049993 HRPQMMYVVRNPET-VXNXHJTFSA-N 459.546 4.869 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2C[C@H](C[C@@H]2Br)C1 2045147081 OAQGDTNYMJDXAG-FJXKBIBVSA-N 458.013 4.519 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@@H](Br)C2(CCC2)C1 2046402968 HRIPWKMDMVQVSS-MRVPVSSYSA-N 458.013 4.663 50 10 JJGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H](C)S(C)(=O)=O)c1Br 2081069687 CNSKNWGFTLMAFG-PELKAZGASA-N 463.029 4.698 50 10 JJGE CC1(C)[C@@H](CCl)CCN1C(=O)c1cc(Br)ccc1I 2095204157 GKNLYKWJRNWOND-SECBINFHSA-N 456.549 4.533 50 10 JJGE CC(C)[C@@H](Br)CN(C)c1ncc(C(F)(F)F)cc1I 2111364439 QRXJWJRTRQARFB-VIFPVBQESA-N 451.068 4.561 50 10 JJGE CC(C)[C@H]1[C@@H](Br)CCN1C(=O)c1ccc(Br)cc1Br 2126101673 RGFKSNYKIWEFQV-AAEUAGOBSA-N 454.000 4.846 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@H](Br)[C@H]1C1CC1 2130611540 LZQDVXHIPXKMCW-QWHCGFSZSA-N 451.984 4.600 50 10 JJGE Cc1ncn(C)c1COc1c(Br)cc(Br)cc1CBr 2132019085 XPUUYGANUDCHLY-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE CC1(C)COC[C@H](COc2c(Br)cc(CBr)cc2Br)O1 2145713475 BCLJXPDNLVDFFG-SNVBAGLBSA-N 472.999 4.679 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC2(CC[C@@H]1CBr)CC2 2154159972 BTHVDNBPMXIOGT-SNVBAGLBSA-N 466.011 4.991 50 10 JJGE Cc1csc(CN(C)S(=O)(=O)c2ccsc2CBr)c1Br 2179869018 RRWAWDSAHJKIED-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE Cc1cc(C(=O)NC2(CBr)CCCCCC2)ccc1I 2207103310 NKFVHHRLEWBWND-UHFFFAOYSA-N 450.158 4.817 50 10 JJGE CN(C(=O)c1cc(Br)c(Br)s1)[C@H](CBr)CC1CC1 2219032887 XXICSHDPNOHBGQ-QMMMGPOBSA-N 460.029 4.909 50 10 JJGE FC(F)OC1CC(CO[C@H](CI)c2ccc(Br)cc2)C1 2238443142 FVYKHWIJCYVCJZ-UTVJUBTNSA-N 461.084 4.960 50 10 JJGE O=C(NC[C@@]12CCC[C@]1(CBr)C2)c1ccc(Cl)c(I)c1 2283664794 KIZKAFJDEZSKEZ-CABCVRRESA-N 468.560 4.630 50 10 JJGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3cccc(C)c3)nc3c(C)cccn3c2=O)cc1 2296542767 MMOGLMMRDQODTC-UHFFFAOYSA-N 450.498 4.958 50 10 JJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 2314522563 OKESICHBTPKWNH-UHFFFAOYSA-N 455.495 4.606 50 10 JJGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cccs3)cs2)CC1=O 2331326465 HOTIEQLCAWEMPM-ZDUSSCGKSA-N 451.529 4.504 50 10 JJGE C[C@@H](Br)C[C@H]1CCCN1C(=O)c1ccc(Cl)cc1I 2340058362 QTXWLLYUFXZJOG-MWLCHTKSSA-N 456.549 4.723 50 10 JJGE CC(C)(C)OC(=O)N1CC[S@](=O)(=NC[C@@](C)(CBr)C(C)(C)C)C(C)(C)C1 2352090222 SGIWHLDTCPVGES-NIYFSFCBSA-N 453.487 4.931 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 12489082 RXOIXIJWCBKOET-UHFFFAOYSA-N 485.378 4.505 50 10 JJGE COc1cccc(/C=N/NC(=O)c2ccccc2F)c1OCc1ccc(Br)cc1 20274619 LBPJFIXFUVDZOO-DHRITJCHSA-N 457.299 4.940 50 10 JJGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)C(c1ccccc1)c1ccccc1)c1nc3ccccc3nc12 33760202 ZNEZNRBWIXEIRW-JSOSNVBQSA-N 490.607 4.938 50 10 JJGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2)cc1 38653125 BNJIFJDUNPQNSJ-LMKMVOKYSA-N 458.489 4.979 50 10 JJGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2ccccc2Cl)c1[N+](=O)[O-] 40648170 VFFLJZDZWPNWMG-UHFFFAOYSA-N 483.699 4.611 50 10 JJGE O=C(NNc1ncnc(Nc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-])c1cccc(Cl)c1 40648742 FIRHFLCBANTTJD-UHFFFAOYSA-N 452.780 4.558 50 10 JJGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812264 QQTPRXVHPUSERU-VUTHCHCSSA-N 483.484 4.767 50 10 JJGE Cc1c(C(=O)NCCc2cccs2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813393 UIDNZBVLRVLQIS-NLRVBDNBSA-N 455.967 4.746 50 10 JJGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)c2cc(Br)c(Br)s2)c1 40935932 FBPXUDSYPFPVLG-IZZDOVSWSA-N 485.153 4.962 50 10 JJGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C1=O 101335332 UQVMHSXXQQSZFY-HYARGMPZSA-N 478.508 4.524 50 10 JJGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C[C@@H]1O[Si](C)(C)C(C)(C)C 195813602 CKWHPVGBUBYJIT-LZLYRXPVSA-N 455.748 4.525 50 10 JJGE in-vitro COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(C(C)C)c(C)c2)c(OC)c1 207297959 FFLNAZADPWATPZ-JWGURIENSA-N 494.588 4.561 50 10 JJGE COc1cc(C=NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc(Br)c1O 254306204 GOEHEJSUSCBUOS-UHFFFAOYSA-N 476.154 4.779 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C(C)C)cc3)cc2)cc1 254489130 QMOVNDFAKDCBDQ-UHFFFAOYSA-N 460.530 4.957 50 10 JJGE C/C(C=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)=C/c1ccccc1 254613258 YTBKHUDIENNPKC-VPKMNEGTSA-N 468.582 4.992 50 10 JJGE Cc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c(F)c1 382684293 GLKOWQFBRLNMCI-FUHWJXTLSA-N 453.295 4.921 50 10 JJGE CCCOc1c(I)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OCC 725405302 GKBGVTQPGCTJBY-WQRHYEAKSA-N 490.341 4.702 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)c(C)n1-c1ccc(F)cc1 915171650 HUUBNVBMSAPMST-PXLXIMEGSA-N 486.547 4.780 50 10 JJGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1 1084352362 WYNRHULYCCGQMN-OVCLIPMQSA-N 464.157 4.786 50 10 JJGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCC 1084411428 BWAVZJBGNZFWKB-HSZRJFAPSA-N 454.567 4.575 50 10 JJGE CC(C)(C)n1cc(C(=O)NNC(=O)c2ccc(Br)cc2)c(-c2ccccc2Cl)n1 1318319193 ZDTLMRHNRICQDV-UHFFFAOYSA-N 475.774 4.796 50 10 JJGE CC(=O)CCc1ccc(OCC(=O)NNc2ccc(Br)cc2C(F)(F)F)cc1 1443345289 NPCWGLQBMJHNGX-UHFFFAOYSA-N 459.262 4.512 50 10 JJGE CC(=O)c1ccc(C(=O)NNC(=O)c2ccc(COc3ccc(Cl)c(C)c3)cc2)cc1C 1540396170 TWXRRJOGSRGANT-UHFFFAOYSA-N 450.922 4.813 50 10 JJGE CC(=O)c1ccc(O)c(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1 1633034725 WYVHXXDLSJKVGT-WOJGMQOQSA-N 459.893 4.571 50 10 JJGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751393 AUGBASKRSTVNIW-UHFFFAOYSA-N 454.486 4.565 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705839 GWLCMKVZQMCPNA-HXUWFJFHSA-N 467.888 4.803 50 10 JJGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865708080 NQWARLYLCHTQJX-JOCHJYFZSA-N 464.953 4.773 50 10 JJGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(F)cc4)cs3)CC2=O)cc1 1872752947 AKLLMAMUPCAWNL-DVCONVQISA-N 477.517 4.972 50 10 JJGE O=C(N[C@H](CBr)CC1CCCCC1)c1ccc(I)cc1 1926780281 XKHXAANGIPGWJM-HNNXBMFYSA-N 450.158 4.755 50 10 JJGE C[C@@]12CN(C(=O)c3cc(Br)sc3Br)C[C@]1(CBr)C2 2046799277 TYZPPDNBQARUDT-VXGBXAGGSA-N 458.013 4.520 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2C[C@@H](Br)C[C@H]2C1 2065405629 CQFPZMVUCQHNJD-RNLVFQAGSA-N 458.013 4.519 50 10 JJGE C[C@H]1CN(C(=O)c2c(Br)cccc2Br)CC[C@H]1CBr 2109034709 USUVKORLAVIYAQ-UWVGGRQHSA-N 454.000 4.705 50 10 JJGE O=C(N[C@@H]1CC[C@@H]2C[C@]21CBr)c1cccc(Br)c1Br 2132100492 JUIWBEDADYXCOS-UGQGEIBHSA-N 451.984 4.505 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@@H](C(F)(F)F)[C@@H](CBr)C1 2163353958 SZJDQHNYCJYPTN-CAHLUQPWSA-N 499.972 4.919 50 10 JJGE Cc1cc(C(=O)NC[C@@H]2CCCC[C@H](Br)C2)ccc1I 2207108087 UXHIGTBLORWJAA-OCCSQVGLSA-N 450.158 4.673 50 10 JJGE O=S1(=O)CCC([C@H](Br)c2cc(Br)c(Br)cc2F)CC1 2225615627 JSHFOETYQMBGFK-LBPRGKRZSA-N 479.003 4.612 50 10 JJGE CN(Cc1ccccc1I)c1nc(CCl)ccc1Br 2265534719 BHZSXTXYFIMPAV-UHFFFAOYSA-N 451.533 4.824 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2[C@H](Br)CCC[C@H]2C1 2283652992 BIZCDVUFWHIOMR-QJPTWQEYSA-N 468.560 4.580 50 10 JJGE Cc1cc(C=C(C#N)C(=O)O[C@@H](C(N)=O)c2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 2297431090 KNFLFERAYFMTPN-JOCHJYFZSA-N 496.336 4.673 50 10 JJGE CC[C@@H](C)[C@H](CI)NCc1ccc(Cl)cc1I 2302310175 UYOBSZZHAYUOSD-RNCFNFMXSA-N 477.555 4.884 50 10 JJGE CC(C)[C@@H](CBr)N(C)C(=O)c1ccc(I)c(Br)c1 2318852494 PMHJSXKIOGTGGS-GFCCVEGCSA-N 488.989 4.545 50 10 JJGE BrCc1ccc(OCc2ccc(I)c(Br)c2)nc1 2325386745 PIRLVTYQHIHQKY-UHFFFAOYSA-N 482.941 4.923 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1OC 2331242893 WTKZHWTZBANOGN-UHFFFAOYSA-N 454.420 4.594 50 10 JJGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1 2331305697 IVFGSYZSFCEQDM-UHFFFAOYSA-N 478.530 4.903 50 10 JJGE CC(C)CN(C[C@H](C)Br)C(=O)c1ccc(Cl)cc1I 2340059490 VZVAMTJHQPQGNR-JTQLQIEISA-N 458.565 4.826 50 10 JJGE C[C@H]1[C@H](C)N(C(=O)c2ccc(Br)cc2Br)CC[C@H]1Br 2344520768 PIRWEOJGMCURFV-HOTUBEGUSA-N 454.000 4.846 50 10 JJGE O=C(NCC(F)(F)C(F)(F)CBr)c1cc(Br)ccc1Br 2361683575 ZVQOUTVHESOCOO-UHFFFAOYSA-N 485.895 4.607 50 10 JJGE Cc1nc(Br)c([C@@H](Br)c2ccc3c(c2Br)CCO3)n1C 2362487590 XBTLTRIYRZAVPM-LBPRGKRZSA-N 464.983 4.673 50 10 JJGE O=C(NC(=O)c1c(F)cccc1F)Nc1ccc([S@@](=O)C(F)(F)[C@H](F)Cl)cc1Cl 31500312 BZOALTXJOBEDFO-MMEWPQADSA-N 475.222 4.815 50 10 JJGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 38654981 TWDRMZGMPFCMNT-LMKMVOKYSA-N 485.496 4.748 50 10 JJGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2)CCC3)cc1 40811690 CKACWLSOAAOCRH-TURZUDJPSA-N 479.920 4.751 50 10 JJGE CCc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)cc1 40823148 HKOFMHYEHDPGRG-ZXVVBBHZSA-N 496.361 4.998 50 10 JJGE O=S(=O)(NC[C@@H]1CCC[C@@H]1Br)c1c(Cl)cc(Br)cc1Cl 136556369 TWMUSNNCQBGBOI-CBAPKCEASA-N 466.022 4.598 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2Br)cc1Br 136948786 CUAHMNPUNZGMLT-CABZTGNLSA-N 490.055 4.504 50 10 JJGE O=C(NN=Cc1c2ccccc2cc2ccccc12)C(=O)Nc1nnc(-c2ccccc2)s1 254817526 ZPWJDCPMFUQYRG-UHFFFAOYSA-N 451.511 4.600 50 10 JJGE Clc1ccc(I)c(CC(CBr)CBr)c1 405343055 OFEBENWRMKIVQX-UHFFFAOYSA-N 452.355 4.893 50 10 JJGE COc1ccc(C(=O)NN=C2C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)cc1OC 1084321629 UOVHMCAELKOAMY-UHFFFAOYSA-N 491.547 4.974 50 10 JJGE COc1cc(C(=O)NNC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)ccc1OCCC(C)C 1087669581 XGBQMYKQIUNQDG-QZTJIDSGSA-N 464.484 4.704 50 10 JJGE C=CCCC1(CNC(=O)NNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)CCCC1 1636898084 ZIAMQGZUWXRABV-UHFFFAOYSA-N 451.596 4.866 50 10 JJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)[C@@H](C)Oc3ccc(Cl)cc3C)cc2)cc1OC 1772720018 CRHBCEJNHIALGU-QGZVFWFLSA-N 496.947 4.802 50 10 JJGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccccn1 1865687986 GESQOHJUTYXZMN-IBGZPJMESA-N 463.419 4.666 50 10 JJGE CCCc1nn(C)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696589 IFCNLZNBBNEGKB-XMMPIXPASA-N 458.562 4.611 50 10 JJGE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705657 BDQKGMNKOHETOD-LJQANCHMSA-N 456.289 4.673 50 10 JJGE Cc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)nn1-c1ccccc1 1866834852 WNJQOLJAYHXZOO-XMMPIXPASA-N 481.581 4.734 50 10 JJGE CC[C@H](NC(=O)[C@H](c1ccc(OC)c(OC)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866994168 FBPOSIDUGIZEPQ-UGKGYDQZSA-N 455.580 4.550 50 10 JJGE CCc1sc(Br)cc1[C@H](Br)c1cnn(C)c1I 1943033387 LSRNHAYEEIYLBJ-JTQLQIEISA-N 490.002 4.895 50 10 JJGE C[C@H]1CC[C@@H](CBr)N(C(=O)c2cc(Br)sc2Br)C1 2048050532 BEZVHZDWDOUFSB-YUMQZZPRSA-N 460.029 4.909 50 10 JJGE FC(F)(F)c1c(CBr)ccc(I)c1I 2060238480 KILJGMOUJFQZEK-UHFFFAOYSA-N 490.826 4.810 50 10 JJGE C[C@H]1CN(C(=O)c2ccc(Br)cc2Br)CC[C@@H]1CBr 2109036237 ZOIOITKUMFMVEB-VHSXEESVSA-N 454.000 4.705 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@@H]2CCC[C@H](C1)C2Br 2111478685 XHTILUAQNQWJDC-JWHQNHQBSA-N 472.040 4.909 50 10 JJGE CCc1ccc(S(=O)(=O)N(Cc2ccccc2)CC(F)(F)F)cc1CBr 2123269984 VAXRIEAAJMLQGM-UHFFFAOYSA-N 450.320 4.897 50 10 JJGE O=C(N[C@@H]1CC[C@@H]2C[C@@]21CBr)c1cccc(Br)c1Br 2132100494 JUIWBEDADYXCOS-XPLICSAQSA-N 451.984 4.505 50 10 JJGE O=C(NCC1CC2(CC[C@H]2Cl)C1)c1ccc(Br)cc1I 2207264545 GPJACKSSFBJNEC-KWCGZIOASA-N 468.560 4.581 50 10 JJGE O=C(NC[C@]12CCC[C@]1(CBr)C2)c1ccc(Br)cc1Br 2208039043 ILUMCHXWCCQLLM-HUUCEWRRSA-N 466.011 4.897 50 10 JJGE Brc1cccc(Br)c1C[C@]12CO[C@](CI)(C1)C2 2216261759 JZBWVUQUKWAFMZ-BETUJISGSA-N 471.958 4.738 50 10 JJGE CN(C(=O)c1cc(Br)sc1Br)[C@H](CBr)CC1CC1 2219028567 DZKNIZZGHVAOMZ-QMMMGPOBSA-N 460.029 4.909 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C(F)(F)F)CCN1CCCCCI 2220216391 SBVSMZNIVUAFMJ-UONOGXRCSA-N 478.337 4.759 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H](CCBr)C(F)(F)F 2295310132 SPZWRYLYAHYRDT-SNVBAGLBSA-N 481.932 4.586 50 10 JJGE COc1ccc(CC(=O)N(CCCBr)Cc2ccccc2)c(Br)c1 2301104015 DAIKGFYVUNPMQP-UHFFFAOYSA-N 455.190 4.814 50 10 JJGE CN(Cc1ccc(Cl)c(I)c1)[C@@H](CCBr)C(F)F 2315553314 QKTWDKUQOIRZCX-NSHDSACASA-N 452.508 4.795 50 10 JJGE CC(C)[C@@H](CBr)N(C)C(=O)c1ccc(Br)cc1I 2318848534 BPAVFRAQJOJODF-GFCCVEGCSA-N 488.989 4.545 50 10 JJGE CCN(CC)Cc1ccc(C=NNC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)cc1 2321248564 BBOVJHJVIBXYTQ-UHFFFAOYSA-N 460.578 4.680 50 10 JJGE N#CC(=CNCCc1cccc(Cl)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609859 XREPKGRWOPGCDE-UHFFFAOYSA-N 485.031 4.813 50 10 JJGE Cc1c(C(O)=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 2331281374 ORQSYYWHUXJOGV-UHFFFAOYSA-N 453.392 4.793 50 10 JJGE COc1ccc(CCO[C@@H](CCl)[C@@H](I)CCl)c(Br)c1 2339258750 YGYVHEBVBCCWMP-STQMWFEESA-N 481.983 4.667 50 10 JJGE COc1ccc(CCl)c(OCc2cc(I)ccc2Br)n1 2367518961 CDGIYKWOROKVNN-UHFFFAOYSA-N 468.516 4.775 50 10 JJGE O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)NN=Cc1cccc(O)c1 8431290 KHLCSVKGWYHNSY-UHFFFAOYSA-N 450.951 4.686 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCCC)cc1 14032462 NDCVTTOFPMLZCV-UHFFFAOYSA-N 471.623 4.774 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(C)s3)n2-c2ccc(OC)cc2)cc1 28351573 HPYZRJZSKMXYLM-QFEZKATASA-N 493.614 4.564 50 10 JJGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2)cc1 38650231 IIUYSBWEPHANHO-MRDQGFSESA-N 470.525 4.849 50 10 JJGE N#C/C(=C\c1c[nH]c2ccccc12)C(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 45162859 KXPQJHWADLBGQW-QIPRVMPFSA-N 474.586 4.563 50 10 JJGE CC1CCC(NC(=O)[C@H](c2ccc(F)cc2)N(Cc2ccc3c(c2)OCO3)C(=O)CCl)CC1 97914702 LLPCWARLBUSGNI-GLVQYQCOSA-N 474.960 4.558 50 10 JJGE O=C1NCCOc2ccc([C@@H](Br)c3cc(Br)c(Br)s3)cc21 228232841 LOVTVFAJUYZQKL-GFCCVEGCSA-N 496.018 4.880 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N[C@H](CCBr)C(C)C)cc1Br 231177810 OUMRPSWGDUTHPI-GFCCVEGCSA-N 492.071 4.608 50 10 JJGE CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)NN=Cc1cc(OC)ccc1OC(C)=O 252614139 JGJDTZMDDMRJJQ-FQEVSTJZSA-N 499.361 4.844 50 10 JJGE Cc1ccc(C(=O)NN=Cc2c(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc3ccccc23)cc1 254423313 MHGIPPSTXYPHTH-UHFFFAOYSA-N 489.509 4.588 50 10 JJGE C[C@@H](Br)C[C@H]1CCCCCN1C(=O)c1csc(I)c1 311349087 LFSVCPQVPYWWDP-ZYHUDNBSSA-N 456.187 4.911 50 10 JJGE CC1(C)[C@@H](Br)CCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 383303434 OBVYEMXZUAMXJE-JTQLQIEISA-N 466.022 4.692 50 10 JJGE C[C@H](CCCBr)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 384723180 OFEIYVOAJGWQFR-MRVPVSSYSA-N 468.038 4.845 50 10 JJGE O=C(c1cccc(F)c1I)N(CCBr)C1CCCCC1 721673442 SYKVOVRBZNXPNO-UHFFFAOYSA-N 454.121 4.600 50 10 JJGE CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCCN(Cc4cscn4)CC3)c2C)cc1 727404478 GRCZIIRDFXHQJZ-HZHRSRAPSA-N 489.645 4.591 50 10 JJGE Cc1cc(C)cc(NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1 853447612 IEJJHWYZTGXTLD-AREJXAQWSA-N 467.529 4.558 50 10 JJGE CCc1ccc(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858685116 GNZBQUDJLULASN-AWEZNQCLSA-N 468.441 4.708 50 10 JJGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cc(Cl)ccc1O)C(C#N)=C(N)O2 1865688946 FZZXSRZQLQNKAB-GOSISDBHSA-N 457.715 4.520 50 10 JJGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1c(F)cccc1Cl 1865694274 WIQHRDRPVCDFAY-NRFANRHFSA-N 482.943 4.912 50 10 JJGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(F)cc4)cs3)cc2C1=O 1872752205 RIQSDBJRJLEVJD-VZCXRCSSSA-N 463.490 4.532 50 10 JJGE C[C@@H]1CC[C@@](CCl)(NC(=O)c2cc(Br)ccc2I)C1 1880880882 CNTCFLJMOAGSTI-YMTOWFKASA-N 456.549 4.581 50 10 JJGE O=C(NC1(C(F)(F)F)CCC(Br)CC1)c1sccc1I 1924696086 SNKQLVSADMVWMW-UHFFFAOYSA-N 482.103 4.721 50 10 JJGE BrCC[C@H]1CCCCN1c1ncc(I)cc1Br 2015756565 HZLOPSKVTSPPGS-SNVBAGLBSA-N 473.978 4.593 50 10 JJGE O=C(CBr)c1cc(C(F)(F)F)cc(I)c1OC(F)(F)F 2055156597 WVTQWMCHWKEUIE-UHFFFAOYSA-N 476.936 4.786 50 10 JJGE CN(C[C@H]1CCC[C@@H]1Br)C(=O)c1c(Br)cccc1Br 2094094899 HDYBGIWHYRDEIR-ZJUUUORDSA-N 454.000 4.847 50 10 JJGE O=C(c1csc(I)c1)N1CCC[C@@]2(CBr)CCC[C@H]12 2108986998 XLRJATHPXBMENR-SMDDNHRTSA-N 454.171 4.523 50 10 JJGE Cn1ncc(C[C@@H](CBr)Cc2ccccc2Br)c1Br 2116617835 QRBMDAJUMSPBBR-JTQLQIEISA-N 451.000 4.741 50 10 JJGE F[C@H]1CCO[C@H]1CC(CBr)(CBr)c1ccc(Br)cc1 2122534493 UIFCOURGYKEJSA-STQMWFEESA-N 458.991 4.994 50 10 JJGE C[C@H](CO[C@](C)(CI)c1ccccc1Br)N1CCCC1 2186729087 NOCVBGNCDTVSGC-CZUORRHYSA-N 452.174 4.600 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Br)C2 2190677081 GSEVGAQVJRDVDZ-CYDGBPFRSA-N 469.974 4.690 50 10 JJGE O=C(c1ccc2cc(Br)ccc2c1)N1C[C@H](Br)[C@@H](Br)C1 2196129574 OGRGIXKDXOTIQX-KBPBESRZSA-N 461.979 4.585 50 10 JJGE Cc1ccc(I)c(C(=O)N(CCBr)Cc2cccs2)c1 2240926184 TXVZWBACAIWYDL-UHFFFAOYSA-N 464.166 4.698 50 10 JJGE C[C@@H]1CCC[C@@](CBr)(NC(=O)c2c(F)cccc2I)C1 2282801175 HYTGKRJIRMLUPA-MEBBXXQBSA-N 454.121 4.504 50 10 JJGE CC[C@@H]1[C@H](CBr)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2295307578 LLPJYZKIDBAQRK-SMDDNHRTSA-N 468.027 4.776 50 10 JJGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)C(C)=C(C#N)C1=O 2314617330 WCHCNMPSFADSFK-UHFFFAOYSA-N 464.525 4.635 50 10 JJGE COc1cc(C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314618330 LMJXIBPWSQMKKD-OAQYLSRUSA-N 492.959 4.699 50 10 JJGE Brc1cc(CN2C[C@H](Br)CCC23CC3)ccc1I 2325228394 HORRUJYNVJDAEE-LLVKDONJSA-N 485.001 4.946 50 10 JJGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)CN2C(=O)c3ccccc3C2=O)n1 2331390403 HKAHPKOWAARYIB-UHFFFAOYSA-N 465.918 4.869 50 10 JJGE CC(C)[C@@H]1C[C@@H](Br)CN1C(=O)c1cc(Br)cc(Br)c1 2344772052 VNFGYZHQLUUTEF-OLZOCXBDSA-N 454.000 4.846 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(C[C@@]3(CBr)CC3(F)F)C2)C1 2379981059 CPMYMQUKCJUGEY-BXWFABGCSA-N 451.396 4.766 50 10 JJGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=Cc3ccc(C(C)(C)C)cc3)c2)cc1 3252664 TZYCNRPREVVXKU-UHFFFAOYSA-N 465.575 4.557 50 10 JJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)CCCCC)cc1Br 14641156 XRMHVGBSKDTHOI-UHFFFAOYSA-N 472.449 4.624 50 10 JJGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1 38651556 WSJBJVGNGGILAY-DEOSSOPVSA-N 491.341 4.824 50 10 JJGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1 38687547 MZXFFWOZWTZREJ-KAYWLYCHSA-N 498.535 4.829 50 10 JJGE Cc1c(C(=O)NC2CCCC2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816245 ZSSJJXBAJVXEGO-WPWMEQJKSA-N 478.376 4.803 50 10 JJGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(-c2ccc(I)cc2)o1 58887529 YMZJUZFBNWZBAK-JVMBGAFUSA-N 474.298 4.515 50 10 JJGE CC1=CC(C)=[N+]2C1=C(c1ccc(NCCSS(C)(=O)=O)cc1)c1c(C)cc(C)n1[B-]2(F)F 198042644 KMZRIAVXLIWCSW-UHFFFAOYSA-N 477.411 4.639 50 10 JJGE in-vitro N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 210035105 OKESICHBTPKWNH-XKZIYDEJSA-N 455.495 4.606 50 10 JJGE COc1ccc(NC(=O)/C(C#N)=C\Nc2ccc(I)cc2C)cc1Cl 217138522 QODQVVBMFZRCJX-BENRWUELSA-N 467.694 4.720 50 10 JJGE CC(C)[C@H](CCBr)NC(=O)c1cc(Br)ccc1I 231124681 KZTMVUFXRVTRGV-LBPRGKRZSA-N 488.989 4.593 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccs3)n2-c2ccc(C)cc2)cc1 254589941 NARBBQPFFSEYTQ-UHFFFAOYSA-N 463.588 4.555 50 10 JJGE CC[C@H](NC(=O)c1cc(I)ccc1Br)[C@H](Br)CC 313075000 AXJSECKJERYMJR-PWSUYJOCSA-N 488.989 4.736 50 10 JJGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cnn(C)c1Br 381876626 HAZLAZVODYTLQC-LLVKDONJSA-N 456.935 4.577 50 10 JJGE CCN(CC)Cc1csc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)n1 818111736 BXOYFWOQGMETQQ-PDGQHHTCSA-N 494.024 4.961 50 10 JJGE CN(Cc1cccc(Br)c1)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 914488818 GLGRZTSPBWKJAP-XSFVSMFZSA-N 474.362 4.792 50 10 JJGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 1083928628 RRKCJCXNCGJERE-VWLOTQADSA-N 472.541 4.656 50 10 JJGE O=C(NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1nc2ccccc2s1 1084364586 GUWNYIJCPLHHAH-UHFFFAOYSA-N 463.431 4.669 50 10 JJGE O=C(CSc1ccccc1)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 1084400668 UUVNFGZRCYAISX-UHFFFAOYSA-N 451.551 4.999 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865683811 IRERROKWGWWPQX-QHCPKHFHSA-N 468.488 4.670 50 10 JJGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cccc(Cl)c1 1865709767 GJJNNKMXGNGSIW-QGZVFWFLSA-N 460.843 4.830 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865709818 HKMLMEQJKQMJHR-DEOSSOPVSA-N 482.515 4.973 50 10 JJGE COc1ccc([C@H]2C[C@@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(C)n2)cc1OC 1868480619 QOZDOFXQPGMNKU-PZJWPPBQSA-N 477.590 4.821 50 10 JJGE Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)ccc12 1873793139 YFXMAZDYLQAJLN-CCVNUDIWSA-N 464.562 4.931 50 10 JJGE COc1cccc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1OCc1cccc(Cl)c1 1873795526 ONKVKUDGHLAKSF-XYGFXTTESA-N 490.000 4.927 50 10 JJGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C 1885096269 HYMFFCOSKGIZTR-XUWVNRHRSA-N 461.441 4.946 50 10 JJGE Clc1ccc(CO[C@H]2CCC[C@H]2I)c(I)c1 1901605803 RJVLHMOZDWEEJS-PWSUYJOCSA-N 462.496 4.817 50 10 JJGE Brc1cc(CO[C@H]2CCC[C@@H]2Br)ccc1I 1904374642 VHAGJKCIAZBIND-CABZTGNLSA-N 459.947 4.886 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@]2(CCC[C@@H]2Cl)C1 1918933486 GVKUFUZGLNFWIC-DZGCQCFKSA-N 468.560 4.677 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H](Br)CC2(CC2)C1 1926031278 VLJBZMNDZYNIFP-LBPRGKRZSA-N 451.984 4.601 50 10 JJGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(I)ccc1F 1961216119 RKVCLMPRJZXPBF-LBPRGKRZSA-N 476.127 4.856 50 10 JJGE COc1cc(CCl)ccc1S(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2034751137 NMLPYGHOUULNFF-UHFFFAOYSA-N 473.038 4.757 50 10 JJGE CC(C)[C@H](Br)[C@H](C)NC(=O)c1cc(Br)ccc1I 2041306764 HGPYBCVPNVNTDC-UFBFGSQYSA-N 488.989 4.592 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2[C@H]3CC[C@H]4[C@@H](C3)C[C@H]42)CC1 2077683782 XAZOYKSRMAZMHK-VIQHNZTISA-N 461.384 4.642 50 10 JJGE CC[C@H](C)[C@@H](CI)NC(=O)c1ccc(Br)cc1Br 2081237520 YJSZZSHLZWQRGH-QPUJVOFHSA-N 488.989 4.791 50 10 JJGE CC[C@H](C)[C@@H](CBr)NC(=O)c1ccc(I)c(Br)c1 2081253450 KUKMEJHUHBNFQY-QPUJVOFHSA-N 488.989 4.593 50 10 JJGE Cc1c(Br)c(CC(CBr)(CBr)C2CCCC2)nn1C 2093824219 YDMLRSWPLILOKS-UHFFFAOYSA-N 457.048 5.000 50 10 JJGE CC(C)[C@H](Br)CN(C)c1ncc(C(F)(F)F)cc1I 2111364438 QRXJWJRTRQARFB-SECBINFHSA-N 451.068 4.561 50 10 JJGE C[C@@H](CCCCCBr)NS(=O)(=O)c1cc(Cl)c(Br)s1 2117891150 JSHAROMGKFAFGY-QMMMGPOBSA-N 453.649 4.786 50 10 JJGE BrCc1cc(Br)c(OC[C@@H]2C[C@H]3C[C@@H]3CO2)c(Br)c1 2122884171 VMKDGUHQMWEKDA-MXWKQRLJSA-N 454.984 4.910 50 10 JJGE O=C(N[C@@H](CCl)C1CCCC1)c1ccc(Br)cc1I 2142288387 RXDUISLKPGMBHM-ZDUSSCGKSA-N 456.549 4.581 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CC2(CC[C@H]1CCl)CC2 2154168120 QCEDWIQELHNILD-NSHDSACASA-N 468.560 4.677 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CC2(CCC(Br)CC2)C1 2181090910 ZOZBHYURBJPVRY-UHFFFAOYSA-N 468.560 4.724 50 10 JJGE CC1(C)CCN(C(=O)c2ccc(Cl)c(I)c2)C[C@H]1CBr 2283653544 HPYZPUJAHKFSCJ-LLVKDONJSA-N 470.576 4.828 50 10 JJGE CC1(C)[C@@]2(C=C[C@@]34CC[C@@](C(=O)O)([C@@H]3Br)C4(C)C)CC[C@@]1(C(=O)O)[C@H]2Br 2297579949 DZCAUHVDKAGJQC-UHEPDYKCSA-N 490.232 4.852 50 10 JJGE CC1(C)OCCO[C@H]1[C@@H](Br)c1sc(Cl)cc1I 2300949273 JWVALPLGGZTPFV-WPRPVWTQSA-N 451.551 4.636 50 10 JJGE CCN(CC)c1ccc(NC=C(C#N)C(=O)Nc2ccc(I)cc2C)cc1 2325408073 CSVCRMLXTZHBMF-UHFFFAOYSA-N 474.346 4.904 50 10 JJGE Fc1c(CCl)ccnc1OCc1cc(I)ccc1Br 2341551697 GGABMLZPOKKDME-UHFFFAOYSA-N 456.480 4.906 50 10 JJGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC)C(=O)C(C#N)=C2C)c1 38606128 FKUTYTVKXISTCQ-KOEQRZSOSA-N 496.567 4.567 50 10 JJGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)c1 38684503 CVHJEMCCQKIMJU-HHHXNRCGSA-N 470.525 4.850 50 10 JJGE COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 97729902 MIPNGHGEOFRDNN-AFUMVMLFSA-N 466.335 4.782 50 10 JJGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)C1=O 101335834 QCJCPTGUBGLPEK-DEDYPNTBSA-N 480.948 4.556 50 10 JJGE O=C(CI)Nc1ccc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1 111436900 ULGWXFMWJVUIKD-UHFFFAOYSA-N 479.080 4.985 50 10 JJGE CC[C@H](NC(=O)/C(C#N)=C\NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCCC2 217192786 NRZDGZWUBUJEEQ-WUBJHQBQSA-N 456.634 4.794 50 10 JJGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)CCSc3ccc(Cl)cc3)cc2)cc1 252629128 TYZSAERXWZUPON-UHFFFAOYSA-N 498.004 4.999 50 10 JJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccccc3O)cc2OC)cc1 254572635 JNEJTSOCRQFYSM-UHFFFAOYSA-N 462.502 4.563 50 10 JJGE O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)NN=Cc1ccccn1 254592677 IYUMXILHOJLYCY-UHFFFAOYSA-N 493.596 4.670 50 10 JJGE C/C(C=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)=C\c1ccccc1 254613257 YTBKHUDIENNPKC-BCXMZQODSA-N 468.582 4.992 50 10 JJGE Cc1ccc2nc(CCl)n(-c3ccc(I)cc3Br)c2n1 380193470 CYLZVBOXQIWORE-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE O=C(NNc1nc(-c2ccncc2)no1)c1cc(-c2ccccc2)nc2cc(Br)ccc12 728071592 CIDVWPIDIZPOLK-UHFFFAOYSA-N 487.317 4.866 50 10 JJGE CCOc1cc(C=NNC(=O)[C@H]2COc3ccccc3O2)ccc1OCc1ccc(Cl)cc1 1083910265 DWEOVNDBZMNQIM-XMMPIXPASA-N 466.921 4.608 50 10 JJGE CCOC(=O)c1cccc(-n2c(C)cc(C=NNC(=O)CC[C@@H](O)c3ccc(OCC)cc3)c2C)c1 1084230534 PICWJKZERDOSQQ-AREMUKBSSA-N 491.588 4.633 50 10 JJGE COc1cccc(C=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1O 1084547407 UPRGUPOLQDQMLQ-UHFFFAOYSA-N 457.574 4.619 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)ccc1O 1865681016 CNRSNPOSOIDOQP-HSZRJFAPSA-N 450.498 4.862 50 10 JJGE Clc1ccc(CC(CBr)CBr)cc1I 1887450587 ZICODWMNQUOIOG-UHFFFAOYSA-N 452.355 4.893 50 10 JJGE CC1(C)CN(C(=O)c2cccc(Br)c2Br)C[C@H]1CBr 1914531059 IGUWLPIDSPHUOW-SECBINFHSA-N 454.000 4.705 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CC[C@H](Br)[C@@H]2CC[C@@H]21 2069994150 WTBKURWPNVCOLF-XVYDVKMFSA-N 458.013 4.661 50 10 JJGE Cc1cc(Br)c([C@H](Br)C2CCS(=O)(=O)CC2)cc1Br 2089856608 FSGAPHQKCLYOMU-CYBMUJFWSA-N 475.040 4.781 50 10 JJGE C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(CBr)cc1Cl 2179796086 ZPDXJZXTDSGXAL-INIZCTEOSA-N 471.848 4.520 50 10 JJGE CC(C)[C@@H]1[C@@H](Br)CCN1c1ncc(C(F)(F)F)cc1I 2182484873 ADGKVZATWIGGMQ-GXSJLCMTSA-N 463.079 4.703 50 10 JJGE C=CC[C@@H](CBr)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2202050540 QKUPUHMWCLGSSE-QMMMGPOBSA-N 466.022 4.621 50 10 JJGE CC[C@@H](C)[C@@H](CI)NC(=O)c1scc(Br)c1Cl 2246437392 DLLOSQAETKGZHH-HTRCEHHLSA-N 450.567 4.744 50 10 JJGE CCCN(CCCCI)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2248241674 PIPIKXFTQRXGRI-SJPCQFCGSA-N 450.405 4.844 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H](CBr)C2(CCC2)C1 2283652104 PUEDFWWJAGRJLI-NSHDSACASA-N 468.560 4.582 50 10 JJGE COc1ccccc1NC(=O)COc1ccc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc1 2294279909 FFBDKVFFJBKDNJ-UHFFFAOYSA-N 455.514 4.875 50 10 JJGE C[C@H](NC(=O)Cc1cc(Br)cc(Br)c1)[C@H]1CCC[C@@H]1Br 2295308857 BNIXIUMARUEYNU-FZZIBODNSA-N 468.027 4.822 50 10 JJGE CN(C[C@@H](Cl)COCc1ccccc1)C(=O)c1ccc(Cl)cc1I 2301796837 PTSDKMWYOXYDNC-OAHLLOKOSA-N 478.157 4.841 50 10 JJGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(C#N)cc2C(=O)c2cccc(C)c2)cc1OC 2329702700 MIGXJHWRUYXZMJ-UHFFFAOYSA-N 451.482 4.661 50 10 JJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2cccc(Br)c2Br)[C@@H]1C 2344511332 AMCGCKBPADDJLP-NGZCFLSTSA-N 454.000 4.846 50 10 JJGE F[C@]12CCC[C@@]1(CCl)CN(Cc1ccc(I)c(Br)c1)C2 2377313437 ITRMFXGXHOZYAI-CABCVRRESA-N 472.567 4.987 50 10 JJGE CCOc1cc(C(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)cc(OCC)c1OCC 13954333 RCUCPKAMCLBWIQ-UHFFFAOYSA-N 456.326 4.656 50 10 JJGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14668062 CPACVGLCCSPHLH-UHFFFAOYSA-N 496.361 4.563 50 10 JJGE O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NNC(=O)c1ccccc1OCc1ccc(F)cc1 14842583 DNFWIGXWGKCZQD-UHFFFAOYSA-N 494.910 4.502 50 10 JJGE CCOc1ccc(/C=C2/CN(CC)CC3=C2OC(N)=C(C#N)[C@H]3c2ccc(OCC)cc2)cc1 35313872 XUJXQAZCYLFDEY-KMDCTSKHSA-N 457.574 4.965 50 10 JJGE CCC[C@@H](CCCl)CNC(=O)c1cc(Br)ccc1I 227494491 GZUOFAZYHDTFCA-JTQLQIEISA-N 458.565 4.829 50 10 JJGE CCC[C@@H](CCBr)CNS(=O)(=O)c1cc(Br)ccc1Br 227506765 FXZGAWWNAUUABD-JTQLQIEISA-N 492.071 4.691 50 10 JJGE COc1ccc(C(=O)NN=C(C)CC(=O)Nc2cc3oc4ccccc4c3cc2OC)c(OC)c1 254617099 MLWXHGNEJNEYEX-UHFFFAOYSA-N 475.501 4.746 50 10 JJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 254700436 DWWPRZSGYCMMTN-UHFFFAOYSA-N 499.479 4.748 50 10 JJGE CCOC(=O)c1c(NC(=O)[C@@]23CC[C@@](C)(C(=O)[C@H]2Br)C3(C)C)sc2c1CCC2 256018940 BEDSFWCZSRTHFF-PUCZYUMASA-N 468.413 4.511 50 10 JJGE CN1C(=O)CCc2cc([C@@H](Br)c3sccc3I)ccc21 380531033 KXKKQEIWNZJHSE-CQSZACIVSA-N 462.150 4.746 50 10 JJGE Nc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c(Cl)c1 382690065 LUCUNIKNIYPNBZ-RHSMWYFYSA-N 470.738 4.709 50 10 JJGE Fc1cnc2c(c1)nc(CCl)n2-c1cc(Br)ccc1I 400300895 USQVUYWLXKTIFX-UHFFFAOYSA-N 466.479 4.666 50 10 JJGE CC[C@@H](C[C@@H](C)Br)NC(=O)c1cc(I)ccc1Br 716940975 RVPKXGQZHQXZGO-SCZZXKLOSA-N 488.989 4.736 50 10 JJGE O=C(N[C@H](CCBr)C1CCCCC1)c1cccc(I)c1 725038704 XWUWKHJPHVACBK-OAHLLOKOSA-N 450.158 4.755 50 10 JJGE CC(C)c1ccc(OCCNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1 918588452 AIJDREMJBCUSIW-HAVVHWLPSA-N 453.546 4.689 50 10 JJGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=NNC(=O)c3cccnc3)CCC4)c2n1 1772747581 QVPUQIWXUIAXQM-UHFFFAOYSA-N 454.486 4.529 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc1OCC 1865689273 OFZLXQXPUNYIBL-QGZVFWFLSA-N 450.461 4.573 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](NC(=O)c2nc(C3CC3)n3ccccc23)c2ccccc2)cc1 1866861268 FGGWCZJFBIVKMT-JOCHJYFZSA-N 467.554 4.895 50 10 JJGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3ccccc3)C(=O)C2)n1 1868341855 BJQLMVSHERVPGC-UHFFFAOYSA-N 458.591 4.944 50 10 JJGE CC(C)(C)OC(=O)Nc1ccc(C(=O)NCC2CC(Br)C2)cc1Br 2020168849 LZAANMRIDARDRJ-UHFFFAOYSA-N 462.182 4.699 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@@H]2CC[C@]2(CBr)C1 2078144327 AJKWYIHNFQZVAR-MADCSZMMSA-N 458.013 4.520 50 10 JJGE Clc1ccc(I)c(CN2C[C@@H]3CCC[C@@H](Br)[C@H]3C2)c1 2094589756 BGJXIGQSCMKBJF-LEWSCRJBSA-N 454.577 4.940 50 10 JJGE C[C@@H]1Cc2cc([C@@H](Br)c3nn(C)cc3Br)cc(Br)c2O1 2146617499 ZFBLPBMUQBPNSL-JMCQJSRRSA-N 464.983 4.753 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@@H](Br)CC2(CCC2)C1 2151345281 IENKTVSZFXLDKZ-NSHDSACASA-N 466.011 4.991 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H](CBr)[C@@H](C(F)(F)F)C1 2163357808 FKJZUDIOKDMRBZ-WDSKDSINSA-N 499.972 4.919 50 10 JJGE CC(C)(C)C[C@H](CBr)CNC(=O)c1c(F)cccc1I 2282779608 DOBFMXIRJDRSLL-SNVBAGLBSA-N 456.137 4.607 50 10 JJGE Cc1ccccc1C[C@@H]1SC(=C(C#N)C(=O)NCc2ccccc2)N(c2ccc(F)cc2)C1=O 2293039078 AJTFVZDZUDSQMB-DEOSSOPVSA-N 471.557 4.877 50 10 JJGE CCOC(=O)C(C#N)=C1S[C@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(C)cc1 2293039081 AOAMTNHLIFEAIC-LJQANCHMSA-N 471.376 4.747 50 10 JJGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)cc1 2296543611 QKTCWXVHOQQBDI-UHFFFAOYSA-N 450.498 4.958 50 10 JJGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C[C@@H]2CC=C(C)C[C@H]2C)c(OC)c1 2297322152 RMJITTRYQPRBOH-KNQAVFIVSA-N 461.562 4.569 50 10 JJGE Cc1c(Br)cccc1C(=O)N[C@H](CCBr)COCc1ccccc1 2303548805 KVUWPIRBMVFLTE-MRXNPFEDSA-N 455.190 4.858 50 10 JJGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc3cc(Br)ccc3o2)c(OC)c1 2314792542 SEHPNAQRFPZZNR-UHFFFAOYSA-N 470.275 4.893 50 10 JJGE CC[C@H]1CN(Cc2ccc(I)c(Br)c2)C[C@H]1CBr 2325234322 WKDOQYBJZXDAJS-NWDGAFQWSA-N 487.017 4.907 50 10 JJGE COc1cc(F)c([C@H](Br)c2c(Br)nc(C)n2C)cc1Br 2362487076 MEZPADYCYVECIS-NSHDSACASA-N 470.962 4.886 50 10 JJGE COc1ccc(CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2Br)c(C(F)(F)F)c1 2364638241 QSMXVIKLBYXCRY-GJZGRUSLSA-N 454.283 4.613 50 10 JJGE CC1CC(CBr)(CN2C[C@@H]3CC(F)(F)CC[C@@]3(NC(=O)OC(C)(C)C)C2)C1 2370173994 CYPOGKBTLNPDMH-IRSFRRDYSA-N 451.396 4.812 50 10 JJGE CC(C)(C)[C@](C)(CBr)CN1CCC[C@@H](N(CC(F)F)C(=O)C(F)(F)F)C1 2380200273 SGFAZCIDLRYWRL-MLGOLLRUSA-N 451.318 4.554 50 10 JJGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(C)cc1Br 14768708 MSCOMFIGHBAGLR-JOCHJYFZSA-N 497.389 4.808 50 10 JJGE CCC[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)NC(C)=C1C(C)=O 20581919 APSYJSYEDXDFKH-CQSZACIVSA-N 493.383 4.647 50 10 JJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)c1 38659716 JAIUBPSCTRZQTG-QHCPKHFHSA-N 462.889 4.795 50 10 JJGE CC(=O)[C@H](Br)Cc1c(Br)cc(Br)cc1Br 52229136 NPBGOWHVJUPVPK-MRVPVSSYSA-N 463.789 4.869 50 10 JJGE O=S1(=O)CCCC[C@H]1[C@H](Br)c1cc(Br)c(Br)s1 169100299 XTAHZXCBUVUCAZ-DTWKUNHWSA-N 467.042 4.676 50 10 JJGE Cc1c(/C=N/NC(=O)c2cc(-c3ccccc3)nc(N3CCCCC3)n2)c2ccccc2n1C 169927514 WGKIUZSZGMCBLA-MTDXEUNCSA-N 452.562 4.698 50 10 JJGE CO[C@H]1O[C@H](CO[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 197198374 UIDVFSCIFIMDHO-GFEQUFNTSA-N 482.915 4.870 50 10 JJGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2OC)cc1 205647134 TWPNGYRPNRATGD-YJJVZWIUSA-N 484.508 4.549 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1C(C)C 206409611 GPLRCEMCDMYYOU-MOSHPQCFSA-N 474.513 4.619 50 10 JJGE COc1ccc(CC(=O)NN=Cc2ccc(OC)c(CSc3nc(C)cc(C(F)F)n3)c2)cc1 254346655 PPGZXNPSOWZVRA-UHFFFAOYSA-N 486.544 4.725 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2ccc(Br)c(O)c2)C1 382674438 KIAMGFWYUQNEKO-HZPDHXFCSA-N 469.173 4.902 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2c(F)cccc2F)C1 382694158 SDQHZAXZQYDOSQ-LSDHHAIUSA-N 457.258 4.752 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2C[C@@H]2C(C)(C)C)C1 703464842 SPLHJLZFPQNVAD-YZVOILCLSA-N 451.389 4.890 50 10 JJGE O=C(NC[C@@H]1CCC[C@H](CCl)C1)c1ccc(I)c(Br)c1 721571173 CUCKMYNSPMWCJK-WDEREUQCSA-N 470.576 4.829 50 10 JJGE COc1ccc(CCC(=O)NNC(=O)c2ccc(-c3ccc4ccccc4c3)s2)cc1OC 1860391327 AIGJELUXBYZBDK-UHFFFAOYSA-N 460.555 4.979 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865684164 VIKCPTHCSKAMAD-HSZRJFAPSA-N 452.489 4.964 50 10 JJGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865700917 HPXQQRGTGJGQQQ-HXUWFJFHSA-N 450.926 4.714 50 10 JJGE CCc1ccc(OCCCC(=O)NNC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)cc1 1865757048 KQRGRESHQCJWPU-UHFFFAOYSA-N 453.489 4.518 50 10 JJGE CCC[C@H](NC(=O)c1c(C)cc(C)n(-c2ccccc2)c1=O)C(=O)Nc1ccc(SC#N)cc1 1867208807 ADMDCZAHSAEZLR-QFIPXVFZSA-N 474.586 4.565 50 10 JJGE Fc1cc(Br)c2nc(CCl)n(C[C@@H]3CN(Cc4ccccc4)CCO3)c2c1 1912671333 YTNXBPDBSGBGMY-INIZCTEOSA-N 452.755 4.578 50 10 JJGE Cc1cc2nc(CCCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2cn1 1918400351 ZJGWRSMZAFYSKZ-UHFFFAOYSA-N 461.009 4.992 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCC2(CCC2)N(C(=O)OC(C)(C)C)C1 2010828328 FDBWSLODQHGEPP-QGZVFWFLSA-N 475.721 4.804 50 10 JJGE COc1ccc(C=C(C#N)c2nnc(NC(=O)COc3ccc(Cl)cc3Cl)s2)cc1 2059854784 NYZMHFCCDMOBBB-UHFFFAOYSA-N 461.330 4.935 50 10 JJGE O=C(c1scc(Br)c1Br)N1CC2(CC(CBr)C2)C1 2066455870 BRVHCWTYMFCJDM-UHFFFAOYSA-N 458.013 4.520 50 10 JJGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CCl)c1F 2152212301 YVMTYZXSDBMFFE-UHFFFAOYSA-N 478.811 4.945 50 10 JJGE Cc1cccc(C(=O)NC[C@@H](CBr)CC(C)(C)C)c1I 2156326611 PCJMZDMLDOSHER-GFCCVEGCSA-N 452.174 4.777 50 10 JJGE CN(C[C@H](Br)C1CCCCC1)C(=O)c1cccc(I)c1 2167653922 RJLNPJQOINIPEA-HNNXBMFYSA-N 450.158 4.707 50 10 JJGE O=C(c1cccc(F)c1I)N(CCBr)Cc1cccs1 2171090443 IYIPFQUUBNBJQI-UHFFFAOYSA-N 468.129 4.529 50 10 JJGE Cc1sc(C)c(S(=O)(=O)N[C@H](CBr)c2cccs2)c1Br 2175670010 ARPLXDIFRDRZPE-SECBINFHSA-N 459.250 4.603 50 10 JJGE O=C(c1ccc(Br)cc1I)N1C[C@H]2[C@H](Cl)CCC[C@H]2C1 2207265285 PEPBLNDUBWDXON-ZWKOPEQDSA-N 468.560 4.533 50 10 JJGE FC(F)CC1(CBr)CCN(C[C@H]2CC2(Br)Br)CC1 2217993660 ADMDJFZGCFWGFD-SECBINFHSA-N 453.991 4.625 50 10 JJGE CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)C2[C@@H](CBr)NC(=O)OC(C)(C)C 2241741493 NPRAUBNZTJGGLM-QSFKDOLUSA-N 461.441 4.994 50 10 JJGE C=CCC[C@H](CBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277921522 TXGZQVAJDBQBLD-CYBMUJFWSA-N 454.000 4.600 50 10 JJGE FCC12CC([C@@H](Br)c3sc(Cl)cc3I)(CO1)C2 2301081348 OBTXSCOANPCRJQ-WHXUTIOJSA-N 451.526 4.961 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC 2313518152 NLDNOYNOOXNZAW-UHFFFAOYSA-N 476.314 4.943 50 10 JJGE COc1ccc(Cc2nc3ccc(C(=O)NN=Cc4cccc(OCC(C)C)c4)cc3[nH]2)cc1 2323720843 LIMHFIKNRMLCQR-UHFFFAOYSA-N 456.546 4.961 50 10 JJGE ClCC[C@@H]1CSCCN1Cc1ccc(I)c(Br)c1 2325215334 YBLFXPQZZRZNBG-LLVKDONJSA-N 460.606 4.600 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)c(OC)c3)n2)cc1OC 2331242223 FAGUCFQJPAJJMK-UHFFFAOYSA-N 454.504 4.803 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]([S@@](C)(=O)=NC[C@@](C)(CBr)C(C)(C)C)C1 2352081480 NWKPWSRIOMKWHJ-QTYTWSNFSA-N 453.487 4.931 50 10 JJGE Clc1ccc(CN2CCC(OCCCBr)CC2)c(I)c1 2366703376 BZFFGARCBSOIKN-UHFFFAOYSA-N 472.592 4.711 50 10 JJGE O=C(NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 12500690 HKPCHXXNZVOOGK-UHFFFAOYSA-N 465.578 4.821 50 10 JJGE N#C/C(C(N)=O)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 16758795 XHMMGUGEXPRMTN-CXDFQFJYSA-N 452.750 4.558 50 10 JJGE CCOc1cc(/C=N\NC(=O)c2cc(Br)ccc2O)ccc1OC(=O)c1ccccc1 34983189 ABRQJAKFBVFMST-QFEZKATASA-N 483.318 4.537 50 10 JJGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(OC)ccc1OC 38659963 NKYRKANETBVAIE-RUZDIDTESA-N 472.497 4.540 50 10 JJGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812013 BJLVBCALJPSTPO-WPWMEQJKSA-N 467.909 4.678 50 10 JJGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812228 QBAOQWGFBSYKCB-NLRVBDNBSA-N 466.881 4.872 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1c(C)cccc1C 206398938 GAJDOEIRVNCLAC-UCQKPKSFSA-N 470.525 4.520 50 10 JJGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCC)cc2OC)cc1 206436026 YLBOIXVPDPJGRW-WAEYBMNLSA-N 462.546 4.926 50 10 JJGE CCOc1cc(/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 214309005 FZYRXCMFLOPIOU-JCMHNJIXSA-N 468.594 4.918 50 10 JJGE CC[C@](C)(CCBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 228586947 WIVZBIVWVZLIHU-GFCCVEGCSA-N 468.038 4.988 50 10 JJGE Cc1cccc(C(=O)NC[C@@H]2CCCC[C@H]2CBr)c1I 235923453 ICTCSVRQVUGWGM-STQMWFEESA-N 450.158 4.531 50 10 JJGE CCOc1cc(C=NNC(=O)NC2CCCCC2)ccc1OCCOc1ccccc1OC 254485610 HNHXYHVIYBFPJR-UHFFFAOYSA-N 455.555 4.518 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(Cl)nc2)C1 382721714 NSSHRMYNKDEEOE-HOTGVXAUSA-N 456.711 4.522 50 10 JJGE Cc1cc(CCl)cc(S(=O)(=O)N(C)CCCOCc2ccccc2)c1Br 384045249 VNPZTMZDZFVHGJ-UHFFFAOYSA-N 460.821 4.724 50 10 JJGE Cn1ncc([C@@H](Cl)c2cc(Br)c(Br)s2)c1I 393598991 OALNONNXCUBQCG-SSDOTTSWSA-N 496.393 4.939 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 398751985 WJPHVCMWKZQOQI-GARJFASQSA-N 466.011 4.847 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(-c2ccccc2)n1 918685254 GJCYQDKHNBXJBX-OGDZXRRGSA-N 495.427 4.960 50 10 JJGE O=C(NN=Cc1cc(Br)c(N2CCCC2)o1)Nc1ccc(Br)cc1 1084267810 VMHIOTLICJKSNK-UHFFFAOYSA-N 456.138 4.560 50 10 JJGE COc1ccc(C(=O)NN=Cc2ccc(OC)c(OCc3ccc(Br)cc3)c2)cc1 1084383836 NQGIBNNVYYEULO-UHFFFAOYSA-N 469.335 4.809 50 10 JJGE O=C(CCSc1ccc(Cl)cc1)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 1084414240 IBWWLOBKMXFPRL-UHFFFAOYSA-N 467.978 4.990 50 10 JJGE CC(=O)c1ccc(-c2ccc(C(=O)NNC(=O)[C@@H](C)Oc3c(C)cc(Cl)cc3C)o2)cc1 1135430618 RXOXAMTZJFOSPV-MRXNPFEDSA-N 454.910 4.648 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](CI)C1 1614616437 PJIKKRIFIHNCJY-GWCFXTLKSA-N 466.703 4.634 50 10 JJGE CCOc1c(Br)cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1OC 1772754413 VDLZLJCISMSBEI-UHFFFAOYSA-N 463.372 4.683 50 10 JJGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3C)cc1OC 1865693841 ZTQGSZCFEULNOA-GOSISDBHSA-N 475.387 4.541 50 10 JJGE COc1ccc(-c2ccc(C(=O)NNC(=O)CCCSc3ccc(C)cc3)c(C)n2)cc1OC 1865759278 RIXOUUQCYDDHBZ-UHFFFAOYSA-N 479.602 4.716 50 10 JJGE CSCC[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(SC#N)cc1 1866575246 KSZLLDGOYMRSTQ-NRFANRHFSA-N 452.605 4.550 50 10 JJGE CC[C@](C)(NC(=O)CCCc1ccc(OC)c(OC)c1)C(=O)Nc1ccc(SC#N)cc1 1866786169 LJYVEWPAOGFKDE-DEOSSOPVSA-N 455.580 4.523 50 10 JJGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(NS(C)(=O)=O)cc2)n1 1872754992 TTZAVTPBDSOJIR-ZZEZOPTASA-N 455.561 4.757 50 10 JJGE COc1cc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)ccc1OCc1ccc(C)cc1 1873793491 FKHMFSTXWWGULC-WKULSOCRSA-N 486.524 4.527 50 10 JJGE O=C(NCC[C@H]1CCC[C@@H]1Br)c1c(Br)cccc1Br 1913756353 XNTBOPSNLRDZEP-ZJUUUORDSA-N 454.000 4.895 50 10 JJGE O=S(=O)(c1cc(Cl)cc(CBr)c1Cl)N1CC[C@H](OCc2ccccc2)C1 2123269395 QWMSSLRDFAJWHM-INIZCTEOSA-N 479.223 4.868 50 10 JJGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)[C@H]1CCOC1 2123272372 ZEFROEZBYGDMOT-SFHVURJKSA-N 458.805 4.523 50 10 JJGE ClC[C@@]12CCC[C@@H](CN(c3ncc(I)cc3Br)C1)C2 2134968796 WQLFNCHUUIHIGX-YGRLFVJLSA-N 455.565 4.684 50 10 JJGE CC1(C)[C@H](CCl)CCN1C(=O)c1ccc(Br)cc1I 2142283562 RJDMUCJWVYMWNE-VIFPVBQESA-N 456.549 4.533 50 10 JJGE CC1(C)OCCO[C@@H]1COc1c(Br)cc(Br)cc1CBr 2186968710 QOGOLCBOSBFPOX-GFCCVEGCSA-N 472.999 4.679 50 10 JJGE C[C@H]1C[C@H](Br)[C@H](C)CN1C(=O)c1ccc(Cl)c(I)c1 2268344848 MHODLRPPKCYOQW-YWVKMMECSA-N 456.549 4.579 50 10 JJGE CCN(C[C@@](C)(CI)OC[C@@](C)(F)C(C)(C)F)C(=O)OC(C)(C)C 2307651175 APZPICWQMPRTAG-IAGOWNOFSA-N 463.347 4.930 50 10 JJGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2ccccc2F)c(Br)c1 2313566938 DVVJZWGOXHPKSX-UHFFFAOYSA-N 482.147 4.925 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](OCc2cc(F)ccc2C(F)F)[C@H](I)C1 2316339414 XJLRPBPBGNKOLG-KGLIPLIRSA-N 471.257 4.703 50 10 JJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2cc(Br)c(Br)s2)[C@H]1C 2321284051 BOEXZUUSYQWRNK-FXQIFTODSA-N 460.029 4.907 50 10 JJGE N#CC(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N1CCN(Cc2ccccc2)CC1 2325449090 VAGRQYKGLQABQP-UHFFFAOYSA-N 482.428 4.888 50 10 JJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2cc(Br)ccc2Br)[C@@H]1C 2344521175 SHKRBHHXFBOXJO-SBMIAAHKSA-N 454.000 4.846 50 10 JJGE CC(C)(C)OC(=O)N1CCC([S@@](C)(=O)=NC[C@](C)(CBr)C(C)(C)C)CC1 2352108998 AFZVESDVVPHHLX-AFMDSPMNSA-N 453.487 4.931 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@@H]2CC[C@@H](Br)[C@H]1C2 2355761134 PHEPGTDWQAOUFT-DRCTWCGVSA-N 468.560 4.723 50 10 JJGE C[C@H](CBr)[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1I 2365590877 CYKVRLUBUWVJKJ-YGRLFVJLSA-N 470.576 4.970 50 10 JJGE BrC[C@H]1N(Cc2cccc(Br)c2Br)CC12CCOCC2 2381035237 VYFAVBZBGHROQN-CYBMUJFWSA-N 468.027 4.588 50 10 JJGE CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)c1 1195020 FWCAGSLOEZSLJN-FYJGNVAPSA-N 472.497 4.917 50 10 JJGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)COc1ccc(C)cc1Br 10683468 DDRCWZQVBNRMGO-VQIMIIECSA-N 477.399 4.655 50 10 JJGE CC(C)(C)c1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2)cc1Br 12492679 AQRVHPUSGUJFTH-UHFFFAOYSA-N 455.352 4.740 50 10 JJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1 38683645 BJMAHXBSLKAVIQ-MHZLTWQESA-N 498.535 4.799 50 10 JJGE Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c(Oc3ccc(F)cc3)nc12 39992975 ONFUUNIRTUHCHC-DTQAZKPQSA-N 458.424 4.619 50 10 JJGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1/C(=N/NC(=O)c1ccccn1)CCC2 40814321 WDBXNQLCNQZIPL-MUFRIFMGSA-N 456.424 4.725 50 10 JJGE COc1ccc(C(=O)N/N=C/c2ccc(SCC(=O)Nc3ccc4ccccc4c3)o2)cc1OC 59383739 JTUYZMCNLRVEDX-JFLMPSFJSA-N 489.553 4.945 50 10 JJGE O=c1[nH]c2cc(Br)c([C@H](Br)c3csc(Br)c3)cc2[nH]1 232484136 VPJDMBOSWAISGV-LLVKDONJSA-N 466.980 4.927 50 10 JJGE O=C(N[C@H]1CCCCC[C@H]1Cl)c1cc(Br)ccc1I 236042288 MZRDXGWQAQJFST-YPMHNXCESA-N 456.549 4.724 50 10 JJGE CN1/C(=C\C=NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)C(C)(C)c2ccccc21 606347250 JNFJCQDGQMLXFU-CLDDIGBZSA-N 480.615 4.576 50 10 JJGE CC1(C)CN(c2ncc(C(F)(F)F)cc2I)CC[C@H]1Br 686109747 NYSMNLKRSWYMDQ-SNVBAGLBSA-N 463.079 4.705 50 10 JJGE O=C(c1scc(Br)c1Br)N1CCC(F)(F)[C@H](CBr)C1 705437813 JGDOWJHAEKVYRP-ZCFIWIBFSA-N 481.982 4.765 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)NCc2ccnc(Oc3ccccc3)c2)c(-c2ccccc2)n1 918578094 FABPLDUMJNWZQY-HAVVHWLPSA-N 474.524 4.874 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(C)cc1 1084057858 YDUCXRKHBRAEOS-UNOMPAQXSA-N 457.442 4.677 50 10 JJGE O=C(NN=Cc1ccc(OCc2ccccc2Cl)cc1)c1ccc(CN2CCOCC2)cc1 1084403587 DTWMTCHNHNKQQA-UHFFFAOYSA-N 463.965 4.515 50 10 JJGE C=CCn1c(SCC(=O)NN=C(c2ccccc2)c2ccccc2)nnc1-c1ccccc1 1643353213 GIFIXMFFMUILSB-UHFFFAOYSA-N 453.571 4.792 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)cc1OC 1865694769 BAFBMXHWCOLNBV-OAQYLSRUSA-N 450.926 4.714 50 10 JJGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)cc1 1865706758 FAZHEDJTONGSTI-IBGZPJMESA-N 453.468 4.684 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc(Cl)c1O 1865707258 RZBBVDRHCIPIKM-INIZCTEOSA-N 494.832 4.675 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865707871 IGPYZEWXEHTBSG-QHCPKHFHSA-N 468.488 4.670 50 10 JJGE COc1ccc(-c2ccc(C(=O)N/N=C\c3ccccc3Br)c(C)n2)cc1OC 1865760970 ZLDVIILALIAXAA-CFRMEGHHSA-N 454.324 4.601 50 10 JJGE CSCC[C@H](NC(=O)[C@@H](Cc1ccncc1)c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866706200 IQKTWGIZHMANSK-ZEQRLZLVSA-N 490.654 4.858 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(OCCCOCc2ccccc2)CC1 1881762454 COKZIPFQEZWDQM-UHFFFAOYSA-N 489.394 4.815 50 10 JJGE Cn1cnc(Br)c1[C@H](Br)c1sc(Cl)cc1I 1901023726 OCLPCKXYXSRELD-LURJTMIESA-N 496.393 4.986 50 10 JJGE O=C(NCC[C@H]1CCC[C@H]1Cl)c1ccc(I)c(Br)c1 1913729591 SLVNRYLELYRAOE-BXKDBHETSA-N 456.549 4.581 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCCOC2CCCCC2)C1 2027131256 AVVPWELACRNLDR-LJQANCHMSA-N 467.388 4.557 50 10 JJGE O=C(N[C@H](CBr)c1cscn1)c1csc(Br)c1Br 2055474533 MWBNZEOTWCJYQM-ZCFIWIBFSA-N 475.025 4.596 50 10 JJGE ClCc1nc2cc(I)ccc2n1CCc1nccn1Cc1ccccc1 2090024752 DUOMNIOEICKHGF-UHFFFAOYSA-N 476.749 4.867 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1[C@H]2CC[C@@H](C2)[C@H]1CBr 2122173242 SGRNZHZISQPWFR-GMOODISLSA-N 451.984 4.600 50 10 JJGE CN([C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccsc1CBr 2123284067 NAHFQIPJTPZHDM-CRAIPNDOSA-N 458.443 4.647 50 10 JJGE BrCc1ccc(N2CC[C@H]3COC[C@@H](C2)N3Cc2ccccc2)cc1Br 2139653905 ZKLLZAGMTCFYCC-VQTJNVASSA-N 480.244 4.824 50 10 JJGE C[C@@H]1CC[C@H](CCl)N(C(=O)c2ccc(Br)cc2I)C1 2142285366 OQCMGGQGUOGEAZ-MWLCHTKSSA-N 456.549 4.533 50 10 JJGE C=CC[C@]1(CCl)CCCN1C(=O)c1ccc(I)c(Br)c1 2287745514 PZQQNIULURLHTD-OAHLLOKOSA-N 468.560 4.843 50 10 JJGE C=CC[C@](C)(CBr)CNC(=O)Cc1cc(Br)cc(Br)c1 2295315933 RNSWDQDXFQMOIL-OAHLLOKOSA-N 468.027 4.848 50 10 JJGE CNC(=O)C(C#N)=C1S[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(C)c(C)c1 2314593315 LEAVMIBOWIVLMO-IBGZPJMESA-N 460.386 4.783 50 10 JJGE CO[C@H](COC1(CI)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 2336257272 XVCSTGIEVFDGIM-QGZVFWFLSA-N 475.367 4.595 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1C[C@H]2CC(Br)C[C@@H](C2)C1 2364255152 ZZFDCMBATKGZFE-NXEZZACHSA-N 468.560 4.580 50 10 JJGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1/C(=N/NC(=O)c1ccco1)CCC2 40814468 MVRFNRZJEYQOLM-BUVRLJJBSA-N 456.296 4.666 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCC 59484088 FNCGCRQQSZDITP-XNTDXEJSSA-N 462.287 4.634 50 10 JJGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(N)=O)cc2OC)ccc1OCc1ccccc1C 206508909 RSSFKUGBCAYAKJ-VTKKMSAPSA-N 498.535 4.602 50 10 JJGE CCOC(=O)/C(C#N)=C\c1cccc(OC(=O)c2cc(OCC)c(OCC)c(OCC)c2)c1 206677627 PNWAMXBOTRNBCT-UNOMPAQXSA-N 453.491 4.572 50 10 JJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cccc([N+](=O)[O-])c2)sc2c1CC[C@@H](CC)C2 209406859 MZTXCUQDOGTJBY-KWZJRMENSA-N 453.520 4.894 50 10 JJGE O=C(N[C@H]1CCCC[C@@H]1CCl)c1cc(I)ccc1Br 231601209 YIKHXKVNEUHQSB-RNCFNFMXSA-N 456.549 4.581 50 10 JJGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(N(CC)CC)cc1 252610380 IBJXERLHBUOKFG-HXUWFJFHSA-N 491.665 4.553 50 10 JJGE Cc1ccc(N(CC(=O)NN=Cc2c(O)ccc3ccccc23)S(=O)(=O)c2ccccc2)c(C)c1 254290599 JXTLYHHXYSSHBF-UHFFFAOYSA-N 487.581 4.508 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C)s3)n2-c2ccc(OC)cc2)cc1 254618214 HPYZRJZSKMXYLM-UHFFFAOYSA-N 493.614 4.564 50 10 JJGE C[C@@H]1O[C@H](C)[C@H]([C@@H](Br)c2cc(I)cc3c2OCC3)[C@@H]1C 312371123 PSVJGITXVSKPCP-BJFOPFPESA-N 451.142 4.722 50 10 JJGE Cn1ncc([C@@H](Cl)c2cc(Br)ccc2Br)c1I 379199370 HFTIQHPGTNZKRO-JTQLQIEISA-N 490.364 4.878 50 10 JJGE O=C(NC[C@@H]1CCC[C@H]1CBr)c1scc(Br)c1Br 705409666 NOTQRJNDFJIYOO-YUMQZZPRSA-N 460.029 4.814 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(-c2ccccc2)n1 918685256 GJCYQDKHNBXJBX-UFZALAPDSA-N 495.427 4.960 50 10 JJGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)c1 1558199485 GVLYFYAUQNZORY-NRFANRHFSA-N 453.539 4.797 50 10 JJGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772743737 GTNLLHALWLWXNN-UHFFFAOYSA-N 456.477 4.998 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680883 ZCEKAVXUWQEISP-XMMPIXPASA-N 480.524 4.545 50 10 JJGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cc(Cl)ccc1O)C(C#N)=C(N)O2 1865689786 WPBZCMLWTXCGOL-IBGZPJMESA-N 459.308 4.863 50 10 JJGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695970 JIMHFMRQZWOAHJ-FQEVSTJZSA-N 495.377 4.828 50 10 JJGE CC[C@H](N)Cc1cc(Br)cc(Br)c1OC[C@@H]1C[C@H]1Br 1887907979 LRDKJOKBWLUMMU-ZMLRMANQSA-N 456.016 4.654 50 10 JJGE Cn1cc([C@@H](Cl)c2sc(Cl)cc2I)nc1Br 1900920674 WODBEUALJYVKRH-SSDOTTSWSA-N 451.942 4.830 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 1985349586 BLJSNPSKHBKLJR-SEJPIABJSA-N 451.702 4.678 50 10 JJGE Fc1ccc(CO[C@@H](CCl)[C@H](I)CCl)c(Br)c1 2025679444 VTLIOWDBKFXKOG-MNOVXSKESA-N 455.920 4.755 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H](Br)[C@H](C2CC2)C1 2030223893 WVKXJYQNDFERLJ-IUCAKERBSA-N 458.013 4.519 50 10 JJGE C[C@@H]1CC[C@@H](CBr)N(C(=O)c2scc(Br)c2Br)C1 2048050700 CCYYNUGOPDASHY-SFYZADRCSA-N 460.029 4.909 50 10 JJGE CC1(C)C[C@@H](CBr)CN1C(=O)c1cc(Br)c(Br)s1 2064377417 WODWEYBKEOTUTQ-ZETCQYMHSA-N 460.029 4.909 50 10 JJGE CCn1ncc(Br)c1[C@@H](Br)c1ccc(OC)c(Br)c1 2094271119 LLJGZHWPZNEJRE-LBPRGKRZSA-N 452.972 4.921 50 10 JJGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1ccc(CCl)cc1Br 2096853918 VAUZRKZYIITNQD-UHFFFAOYSA-N 460.821 4.805 50 10 JJGE O=S(=O)(c1ccc(Br)c(CCl)c1)N1CCC[C@H](OCc2ccccc2)C1 2129827446 CSUZJZOFUYOOAA-KRWDZBQOSA-N 458.805 4.558 50 10 JJGE ClC[C@@H]1CN(c2ncc(I)cc2Br)CC12CCCC2 2133377592 ICOKELCMPCDQNG-SNVBAGLBSA-N 455.565 4.684 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@H]2C[C@H](Br)CC[C@H]2C1 2150493661 MGEOHIFBDJWOOB-HBNTYKKESA-N 466.011 4.847 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@H](Cl)C2)c1ccc(Br)cc1I 2207269056 YIPKDLCLDBSGOR-GTUGTTAGSA-N 468.560 4.580 50 10 JJGE Cc1cc(Br)c(C(=O)N(C)C[C@H](Br)COCc2ccccc2)s1 2211911472 DINHUFCKOVRLDE-AWEZNQCLSA-N 461.219 4.871 50 10 JJGE Cc1ccc(I)c([C@H](Br)c2cc(S(C)(=O)=O)cs2)c1 2232221766 CSVMYHDLLNPEMK-ZDUSSCGKSA-N 471.179 4.549 50 10 JJGE Cc1ccc(I)c(C(=O)NC[C@H]2CC[C@H](CBr)CC2)c1 2240923063 GHDQEDZFVTWBBN-JOCQHMNTSA-N 450.158 4.531 50 10 JJGE O=C(N[C@@]1(CBr)C[C@H]2CC[C@H]1C2)c1csc(Br)c1Br 2268604498 AFCUMNJJETWMNP-UVPNAGLESA-N 472.040 4.957 50 10 JJGE CC[C@H](C)[C@@H](CBr)NCc1ccc(I)c(Br)c1 2306219884 QWEVIIAOFRTVNT-TVQRCGJNSA-N 475.006 4.953 50 10 JJGE O=C(C=Cc1cccc2ccccc12)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 2313616861 CIHPIJJGGSMMLM-UHFFFAOYSA-N 451.551 4.856 50 10 JJGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)NN=CC(Br)=Cc1ccccc1 2313653356 STUYVQXPHQDXMU-UHFFFAOYSA-N 451.246 4.593 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Cl)c(C)c1 2314755042 ORYDNMWORRGCLP-UHFFFAOYSA-N 494.931 4.848 50 10 JJGE C[C@H]1C[C@@H](CBr)CCN1C(=O)c1ccc(Cl)cc1I 2340052040 KJHRJXYAFYUWNW-UWVGGRQHSA-N 456.549 4.580 50 10 JJGE Cc1cc(C(=O)N(C[C@H](C)Br)C2CCCC2)ccc1I 2368848695 ZTJAUHJCZYZGOL-LBPRGKRZSA-N 450.158 4.768 50 10 JJGE N#Cc1ccccc1COc1ccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 4180236 JPROBAVYEDOIBJ-UHFFFAOYSA-N 461.521 4.523 50 10 JJGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc(Cl)cc1 12483013 VQSOPKQHWXFBOK-DNTJNYDQSA-N 460.553 4.703 50 10 JJGE N#C/C(C(N)=O)=C1\S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1 16758904 UOGGUPMYBLGQSF-NISQSXRWSA-N 452.750 4.558 50 10 JJGE COc1cc(/C=N/NC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)cc(Cl)c1O 27520060 CELBIXKVECRSRX-BRJLIKDPSA-N 458.301 4.724 50 10 JJGE CCn1c(-c2ccc(C(=O)NNC(=O)c3ccc(Br)cc3)s2)nc2ccccc21 35554003 BTNYRFCRVVSDLT-UHFFFAOYSA-N 469.364 4.622 50 10 JJGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccc(F)cc3)ccc21 38650520 ZHUALONWKUJPQL-LMKMVOKYSA-N 474.488 4.815 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1OC 38659452 ZCRRYJWINRLJHG-RUZDIDTESA-N 472.497 4.540 50 10 JJGE CC(C)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])cc1 40594679 YMEVHOSWVSYTEU-UHFFFAOYSA-N 471.315 4.771 50 10 JJGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812780 RWWKFANGPZOXHR-MTDXEUNCSA-N 479.920 4.735 50 10 JJGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40812986 NKRPNKXCTWXQJH-WPWMEQJKSA-N 496.907 4.881 50 10 JJGE CN1C(=O)CCc2cc([C@H](Br)c3cccc(I)c3)ccc21 62807176 AMNFRZUCASHUDL-QGZVFWFLSA-N 456.121 4.685 50 10 JJGE COc1cc(/C=N\NC(=O)Cc2ccccc2)cc(Br)c1OCc1ccccc1 83315155 OREAHBGQVFUMNO-MYYYXRDXSA-N 453.336 4.730 50 10 JJGE O=Cc1cc([N+](=O)[O-])ccc1OC(=O)COc1ccc(-c2ccccc2)cc1Br 100220342 WESOUYRIPAWDHP-UHFFFAOYSA-N 456.248 4.821 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@H](CCCl)C2)cc1Br 155819603 WQBMGKLINJOEGU-NSHDSACASA-N 459.631 4.550 50 10 JJGE CCCCCCCCOc1ccc(/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 214424651 ZMPYUGUFDHGUDI-JWGURIENSA-N 482.577 4.590 50 10 JJGE Clc1ccc(I)c(CN2CCSC[C@H]2CCBr)c1 689291831 DBAIAZHKFFWDEH-GFCCVEGCSA-N 460.606 4.647 50 10 JJGE CC1(C)C[C@@H](Cl)C[C@H](NC(=O)c2cc(Br)ccc2I)C1 693874754 HGKNFBOGGQTFJB-QWRGUYRKSA-N 470.576 4.970 50 10 JJGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3c(Br)cnn3C)c2O1 720045506 URQXOCRKNGBCFO-JVXZTZIISA-N 464.983 4.753 50 10 JJGE COCCn1c(C)cc(/C=C(\C#N)C(=O)Oc2cccc(C(=O)Nc3ccc(C)cc3)c2)c1C 727327501 HUWZVFKOPGYQFY-HZHRSRAPSA-N 457.530 4.825 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)N(C)C2CCN(C(=O)c3ccccc3)CC2)c(C)n1-c1ccc(F)cc1 727344524 DWLDKZAYVFUWKA-MOHJPFBDSA-N 484.575 4.903 50 10 JJGE CCc1ccc(NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1 761380876 DNQDKGQARKPISR-ODENVGOISA-N 467.529 4.504 50 10 JJGE CCOC(=O)c1cccc(-n2c(C)cc(C=NNC(=O)Cc3cccc(C(F)(F)F)c3)c2C)c1 1084185598 WAJDFFMMTBFLSM-UHFFFAOYSA-N 471.479 4.982 50 10 JJGE O=C(NN=C1C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1cccc(Br)c1 1084191027 NWYSBRSSKJUGMR-LOAFWSKHSA-N 460.331 4.643 50 10 JJGE COc1cc(C=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1 1084266766 XRLQKUJKQBLZNM-UHFFFAOYSA-N 453.882 4.529 50 10 JJGE CC(=O)c1cccc(CNC(=O)NNC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)c1 1478907016 ZSUKKYLHJWZFNK-UHFFFAOYSA-N 452.514 4.557 50 10 JJGE CCOc1ccc(/C=C/C(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 1860823238 ZMJXHBPYIYWXTQ-FAZZMOAJSA-N 459.933 4.819 50 10 JJGE Cc1ccc(O)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)c1 1865687324 ONUNNENUCZAZKK-KRWDZBQOSA-N 460.843 4.836 50 10 JJGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cc(OC)ccc2OC)cc1 1865691860 CQFKHAWPCPZBDB-DEOSSOPVSA-N 480.524 4.783 50 10 JJGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865694739 AKOWOJDHZNJQKT-QHCPKHFHSA-N 462.525 4.648 50 10 JJGE CCC[C@@H](NC(=O)Cc1nc(-c2ccc(F)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866659772 SLCWEXOVPSNTRS-HXUWFJFHSA-N 466.538 4.828 50 10 JJGE CCCC[C@H](NC(=O)c1cc(C)n(-c2cccc(C)c2)n1)C(=O)Nc1ccc(SC#N)cc1 1866845797 KFWVPCXWOAJAAJ-QFIPXVFZSA-N 461.591 4.990 50 10 JJGE CC1(C)[C@@H](Br)CCCN1C(=O)c1cc(Br)cc(Br)c1 1887815111 OKDOKSMYIHBNJL-LBPRGKRZSA-N 454.000 4.990 50 10 JJGE O=C(N[C@@H](CCBr)C(F)(F)F)c1scc(Br)c1Br 1918577394 UNIWQFLNOCDGSJ-YFKPBYRVSA-N 473.934 4.719 50 10 JJGE CC1(C)CC[C@@H](Br)[C@@H](CNC(=O)c2ccc(I)cc2)C1 1927048475 FHXMSZOLASMNJA-TZMCWYRMSA-N 450.158 4.611 50 10 JJGE CCN(C[C@@](C)(CI)O[C@@H]1CCOC2(CCC2)C1)C(=O)OC(C)(C)C 2076741003 LXGMSIBUNSCQSZ-CRAIPNDOSA-N 467.388 4.555 50 10 JJGE BrC[C@@H]1CCC2(CCC2)N1c1ncc(I)cc1Br 2084970216 JLHBQSTXQWNZTB-JTQLQIEISA-N 485.989 4.735 50 10 JJGE CC1(C)C[C@H](CBr)N(C(=O)c2cccc(Br)c2Br)C1 2094753981 ZEEOFCLUGXIJGZ-SECBINFHSA-N 454.000 4.847 50 10 JJGE Fc1cc2c(cc1I)nc(CCl)n2[C@@]12C[C@@H]1CN(Cc1ccccc1)C2 2099679973 WGXSEDPSMRTPAE-JLTOFOAXSA-N 481.740 4.750 50 10 JJGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1ccc(Br)cc1Br 2104411130 KTLROQJDTLXZQA-AOOGTALZSA-N 451.984 4.503 50 10 JJGE CN([C@@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Cl 2123200293 GDDSZKXEHIMDBE-QZTJIDSGSA-N 458.805 4.603 50 10 JJGE Cc1cc([C@@H](Br)c2cc(S(C)(=O)=O)cs2)ccc1I 2142118821 OYDTXUSQWBAQHM-CYBMUJFWSA-N 471.179 4.549 50 10 JJGE C[C@H](Cl)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2I)C1 2142290147 YOLQIODZBCCOFB-VHSXEESVSA-N 456.549 4.533 50 10 JJGE CC[C@@H](C)[C@H](Br)CNS(=O)(=O)c1cc(Br)c(C)cc1Br 2146589314 RMTPPZZKYRRIOT-PRHODGIISA-N 492.071 4.608 50 10 JJGE Cc1nc([C@H](Br)c2cc3c(cc2Br)NC(=O)C3)c(Br)s1 2169495879 OJPPWZSQUAHXLD-LLVKDONJSA-N 481.007 4.955 50 10 JJGE CC1(C)C[C@H](CCl)CN(C(=O)c2cc(I)ccc2Br)C1 2172587231 VNAVRKKPJSEKOU-SNVBAGLBSA-N 470.576 4.781 50 10 JJGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3cn(C)nc3Br)c2O1 2173183901 SHGBKJQSTVGDKA-KRTXAFLBSA-N 464.983 4.753 50 10 JJGE CC1(C)OCCC[C@@H]1[C@@H](Br)c1cc(I)cc2c1OCC2 2187009760 JRYAVFAELNQYIG-KGLIPLIRSA-N 451.142 4.867 50 10 JJGE O=C(N[C@H](CBr)CC1CCOCC1)c1scc(Br)c1Br 2195478869 MJPWLIWLIIBKBA-VIFPVBQESA-N 490.055 4.583 50 10 JJGE CC(C)(C)OC(=O)N[C@H]1CN(CCCCCI)C[C@H]1c1ccccc1 2220217224 VNRLSOXXVVXILX-ROUUACIJSA-N 458.384 4.584 50 10 JJGE O=C(c1scc(Br)c1Br)N1CC[C@H]2C[C@]1(CBr)C2 2314969824 MZZAQILSKXPMIT-OGXFKERWSA-N 458.013 4.663 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H]2CC[C@H]1[C@H](Br)C2 2325289949 PFPXDHRVWVTISG-OOZYFLPDSA-N 458.013 4.661 50 10 JJGE CC[C@]1(C)[C@H](Br)CCN1C(=O)c1c(Br)cccc1Br 2336767456 UPJPTVCJAOSKKM-BXUZGUMPSA-N 454.000 4.990 50 10 JJGE ClC[C@@H]1C[C@@H]2C[C@H](C1)CN(c1ncc(I)cc1Br)C2 2343305259 PXUSINJJYTZULL-RTCCRHLQSA-N 455.565 4.540 50 10 JJGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2OCCO[C@H]2C)c1Br 2365190811 IRIFNMCVCPEIQQ-LJUAHTATSA-N 472.999 4.769 50 10 JJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 12577201 OAJVRAZKNGMBDM-AOOOYVTPSA-N 466.148 4.682 50 10 JJGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2)cc1 31903143 DYIRSGZOYPLDOF-QJOMJCCJSA-N 488.565 4.763 50 10 JJGE COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 33764398 KPEXJWKTODLWDR-QNGOZBTKSA-N 455.514 4.875 50 10 JJGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)c1 38602941 RYRAWDPWWKSSDP-LFVJCYFKSA-N 466.541 4.940 50 10 JJGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)Nc1cc(C)ccc1C 39858832 FJYSFTNQETUXQC-HKWRFOASSA-N 480.524 4.966 50 10 JJGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)c2cc(OCC)c(OCC)c(OCC)c2)c1 40926539 PNWAMXBOTRNBCT-XDHOZWIPSA-N 453.491 4.572 50 10 JJGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OCC)cc1 40926870 DTTYNBOOUBUMTA-PDXKIULWSA-N 486.524 4.919 50 10 JJGE CCc1cc(C)cc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c1 59678506 YZLXHGMXOFZBBA-UVHMKAGCSA-N 467.953 4.846 50 10 JJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 254698133 OIHUQPHCQOVNRA-UHFFFAOYSA-N 461.474 4.757 50 10 JJGE Fc1cc2c(cc1Br)nc(CCl)n2C[C@H]1CN(Cc2ccccc2)CCO1 380502035 XWGBKEDJBNUYIN-OAHLLOKOSA-N 452.755 4.578 50 10 JJGE CC[C@@H](CBr)N(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 380972785 FCMPUXQABMDXEO-QMMMGPOBSA-N 454.011 4.550 50 10 JJGE CC1(C)CC(NC(=O)Nc2cccc(C(=O)Nc3ccc(SC#N)cc3)c2)CC(C)(C)N1 586629439 KDCLWWHPHDYHOK-UHFFFAOYSA-N 451.596 4.943 50 10 JJGE BrCc1c(Br)cccc1N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 705953006 ZLXFHSMABADRQL-CALCHBBNSA-N 450.218 4.912 50 10 JJGE CC(C)Cn1cc(C(=O)NNc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c2ccccc21 728716596 GYBHQABEDXZARK-UHFFFAOYSA-N 462.575 4.855 50 10 JJGE Cc1cc(C=NNC(=O)CC(=O)NCCc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 1084290608 UHYSXNGLHRXPAA-UHFFFAOYSA-N 471.388 4.600 50 10 JJGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)CSCc3cc(C)cc(C)c3)cc2)cc1 1084602749 LKZKPLKJFCCHHR-UHFFFAOYSA-N 491.613 4.713 50 10 JJGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(OCC(N)=O)cc2)cc1 1084631613 ITEGALZLTKGXHL-UHFFFAOYSA-N 453.583 4.834 50 10 JJGE CC(=O)CCc1ccc(OCc2cccc(C(=O)NNc3cccc(F)c3[N+](=O)[O-])c2)cc1 1623379067 BWKMETBCGHNAOV-UHFFFAOYSA-N 451.454 4.591 50 10 JJGE CC(=O)c1ccc(Nc2ccccc2C(=O)NNC(=O)Nc2ccc(OC(F)F)cc2)cc1 1639387623 MLRQOWCIFJLLNK-UHFFFAOYSA-N 454.433 4.701 50 10 JJGE CCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)c(OC)c2)c(OC)c1 1772720609 UEIHSYTYPVYEIS-UHFFFAOYSA-N 456.539 4.742 50 10 JJGE COc1cc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(OC)c1OC 1872748229 NYWIZMJFPNFKCE-VLGSPTGOSA-N 485.949 4.712 50 10 JJGE C[C@@H](Br)C(C)(C)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1913847943 NFGYIGMUNZZJSE-SSDOTTSWSA-N 468.038 4.844 50 10 JJGE Brc1ccc(CN2C[C@@H](Br)C[C@@]3(CCCO3)C2)c(Br)c1 1924249288 CBELASQITGYZTG-ZFWWWQNUSA-N 468.027 4.730 50 10 JJGE CS(=O)(=O)C1([C@H](Br)c2cc(Br)ccc2Br)CCC1 2047890448 NQFZISADQZBYME-LLVKDONJSA-N 461.013 4.615 50 10 JJGE CN(c1ncc(I)cc1Br)C1CCC(CBr)CC1 2069530264 WERYOXXMQYWJRH-UHFFFAOYSA-N 488.005 4.839 50 10 JJGE CC1(C)[C@@H](NC(=O)c2cc(I)ccc2Br)CC[C@H]1Cl 2142128043 XQZMSFLNUTWWLA-NEPJUHHUSA-N 456.549 4.580 50 10 JJGE ClC[C@@H]1CN(c2ncc(I)cc2Br)Cc2ccccc21 2189904287 TYESWJQXOYEWKK-LLVKDONJSA-N 463.544 4.791 50 10 JJGE O=C(NCC1CC2(CC[C@@H]2Cl)C1)c1cc(Br)ccc1I 2195349147 BWDZTEMYQGSIJQ-MEXZMNCTSA-N 468.560 4.581 50 10 JJGE O=C(c1ccc(Br)cc1I)N1C[C@@H](Br)CCC12CC2 2227506803 SVAXQHDBICUGDD-JTQLQIEISA-N 498.984 4.586 50 10 JJGE COc1cc(C=C(C#N)C(=O)NC2CCCCC2)cc(Cl)c1OCc1cccc(C(=O)O)c1 2294168261 AAPGSINQZSLMDD-UHFFFAOYSA-N 468.937 4.982 50 10 JJGE COc1ccc(C=C(C#N)S(=O)(=O)c2ccccc2)cc1Cn1nc(C)c(Br)c1C 2295422630 SFOGTUMQNDQABD-UHFFFAOYSA-N 486.391 4.658 50 10 JJGE COc1ccc(-n2c(C)cc(C=C(C#N)C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)c2C)cc1 2297335490 MVHJNPYLLQXPIA-UHFFFAOYSA-N 489.484 4.528 50 10 JJGE C[C@H]([C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)S(C)(=O)=O 2315450214 ZSJTXLOSZNXWKG-VHWMUFPASA-N 487.410 4.873 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCc2cc(F)ccc2C(F)F)C1 2316339416 XJLRPBPBGNKOLG-UONOGXRCSA-N 471.257 4.703 50 10 JJGE COc1cc(C=NNC(=O)c2ccccc2Cl)cc([N+](=O)[O-])c1OCc1cccc(C)c1 2323078717 ZKOXYYJXVYLOEQ-UHFFFAOYSA-N 453.882 4.908 50 10 JJGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4cccc(OC)c4)cs3)CC2=O)cc1 2331246741 RDCSEQHNIZHQPO-SFHVURJKSA-N 489.553 4.841 50 10 JJGE C[C@@H](Cl)CCCc1cn(Cc2ccc(I)c(Br)c2)nn1 2377434755 NGQGILQVLKIZJN-SNVBAGLBSA-N 468.564 4.644 50 10 JJGE CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@]3(CBr)CC3(F)F)C2)CC1 2379985926 LYHWTXTUHNUOLZ-VQIMIIECSA-N 451.396 4.766 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(O[C@H](C)CC)cc2)cc1 10296121 NGLDVRSHAJJCJL-GOSISDBHSA-N 471.623 4.772 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2)c(Br)c1 12403499 AUGDLTACXBLHHR-UHFFFAOYSA-N 485.378 4.505 50 10 JJGE CCCCOc1ccc(C(=O)NNC(=O)COc2cc(C)ccc2C(C)C)cc1Br 14041284 YARBOHOGEDYZNV-UHFFFAOYSA-N 477.399 4.900 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)N/N=C\C=C/c3ccco3)n2-c2ccc(C)cc2)cc1 19826269 YPAYYSGACJUCIS-XFNBXCMGSA-N 473.558 4.752 50 10 JJGE CC(C)(CCl)C(=O)Nc1ccc(N2CCCC2)c(S(=O)(=O)N[C@H]2CCCc3ccccc32)c1 34919408 NBBZJUNHJKNYJY-NRFANRHFSA-N 490.069 4.846 50 10 JJGE CCCN1C(=O)/C(=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2cc(OC)ccc21 38180330 KZVBJDNYGSMXSD-URGPHPNLSA-N 464.525 4.801 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@H]2CCCCl)cc1Br 155819866 XOWSSKAUJGPNPZ-LLVKDONJSA-N 459.631 4.692 50 10 JJGE Cc1ccc(NCc2nnc(S[C@H](C)C(=O)NN=Cc3ccccc3F)n2-c2ccccc2)cc1 252637607 XUIRPZQENSIFQL-LJQANCHMSA-N 488.592 4.958 50 10 JJGE O=C(NN=Cc1ccc2c(c1)OCO2)c1csc(-n2nc(C(F)(F)F)cc2-c2ccccc2)n1 254565625 BRDVDVROXHOSHD-UHFFFAOYSA-N 485.447 4.507 50 10 JJGE O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1csc(-n2nc(C(F)(F)F)cc2-c2ccccc2)n1 254707245 STYNODQJVHOSEN-UHFFFAOYSA-N 486.435 4.687 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2cccc(F)c2F)[C@@H](CI)C1 382706652 UCIZSSZVAYVODR-HOCLYGCPSA-N 457.258 4.752 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CCSC[C@H]1CCBr 689278176 KJSKHRHWBZSPRP-GFCCVEGCSA-N 472.040 4.554 50 10 JJGE Cc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 1083994815 NHMQQYVMGKNUHD-JOCHJYFZSA-N 454.914 4.620 50 10 JJGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865701208 OYSGTALHFLUMLA-FQEVSTJZSA-N 450.926 4.714 50 10 JJGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 1865759728 PJHJPAQGDPFVPC-INIZCTEOSA-N 453.489 4.687 50 10 JJGE CCc1ccc(-c2ccc(C(=O)N/N=C(\C)c3ccc4c(c3)N(C)C(=O)[C@@H](C)O4)c(C)n2)cc1 1865763648 VZBVNEVQISQZDQ-IUUQDGFPSA-N 456.546 4.517 50 10 JJGE C[C@H](Br)[C@@H](NC(=O)c1cc(Br)cc(Br)c1)C(F)(F)F 1882651566 KMBHDOJFNSJITB-SSDLBLMSSA-N 467.905 4.656 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@H](CBr)C2(CCC2)C1 1914493299 QALXAAUWRFMYAH-JTQLQIEISA-N 466.011 4.849 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 1985347762 YHLKULLKXMHLPE-IAGOWNOFSA-N 463.710 4.566 50 10 JJGE BrC1CC([C@H](Br)c2cc(I)cc3c2OCC3)C1 2020148357 LJCYFADSUAZVBS-KWPJZBAWSA-N 471.958 4.836 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CC[C@H](Br)C2(CC2)C1 2032260170 PMGVLLRCOQABOA-QMMMGPOBSA-N 458.013 4.663 50 10 JJGE CC(C)[C@H](Br)CCNC(=O)c1ccc(Br)cc1I 2086146371 YUDFPJYILXDMCP-LLVKDONJSA-N 488.989 4.593 50 10 JJGE Cn1nc(C[C@H](CBr)Cc2ccc(Br)cc2)cc1Br 2111925586 ZELWMFSQUBDHNT-LLVKDONJSA-N 451.000 4.741 50 10 JJGE O=S(=O)(c1cc(Cl)cc(CBr)c1Cl)N1CC[C@@H](OCc2ccccc2)C1 2123269399 QWMSSLRDFAJWHM-MRXNPFEDSA-N 479.223 4.868 50 10 JJGE O=S(=O)(c1cc(Br)cc(CCl)c1F)N(Cc1ccccc1)C[C@@H]1CCCO1 2152215937 ZGJNLQYOJLWFBQ-KRWDZBQOSA-N 476.795 4.697 50 10 JJGE Cc1ccc(I)c(C(=O)NCC2(CBr)CCCCC2)c1 2240919196 BYTLYINLWZXVGL-UHFFFAOYSA-N 450.158 4.675 50 10 JJGE CC(C)[C@@H](CBr)CNC(=O)Cc1cc(Br)cc(Br)c1 2277931284 WSQMUCIXTRTBDY-NSHDSACASA-N 456.016 4.537 50 10 JJGE C[C@H](Br)CN(C(C)(C)C)S(=O)(=O)c1cc(Br)ccc1Br 2288120131 BVTATUGICWUCHB-VIFPVBQESA-N 492.071 4.784 50 10 JJGE C[C@H](C(=O)Oc1cccc(C=C(C#N)c2cccc(Cl)c2)c1)N1C(=O)c2ccccc2C1=O 2320506918 UQDTWILFDPPQQR-MRXNPFEDSA-N 456.885 4.994 50 10 JJGE CCc1ccc(-c2ccc(C(=O)NN=C(C)c3ccc4c(c3)N(C)C(=O)[C@@H](C)O4)c(C)n2)cc1 2321274890 VZBVNEVQISQZDQ-GOSISDBHSA-N 456.546 4.517 50 10 JJGE CC(C)(CI)COc1c(Br)cc([N+](=O)[O-])cc1Br 2326710689 XCDHVLQNJZYCRS-UHFFFAOYSA-N 492.933 4.960 50 10 JJGE C=CC[C@H](Br)[C@@H]1CCN1C(=O)c1ccc(Br)cc1Br 2335810304 LYDWRCOWQQMKJZ-AAEUAGOBSA-N 451.984 4.766 50 10 JJGE C=CC[C@H](Br)[C@H]1CCN1C(=O)c1ccc(I)c(Br)c1 2335818264 PZVGXVIHYYQBOW-GXFFZTMASA-N 498.984 4.608 50 10 JJGE Fc1cc(Br)cc(N2CC(n3cc(Br)cn3)C2)c1CBr 2361657416 VHQWNJDKCZVYMY-UHFFFAOYSA-N 467.962 4.503 50 10 JJGE C[C@@H]1C[C@@H](C(F)(F)F)N(C[C@]2(CBr)CC2(F)F)CCN1C(=O)OC(C)(C)C 2379988216 VREPWJOMBKATKE-TYNCELHUSA-N 465.301 4.669 50 10 JJGE COc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(F)cc3)N(c3ccccc3)C2=O)cc1 2357483 CTCHJZVHMVQGIX-GPSDDGMOSA-N 473.529 4.899 50 10 JJGE O=C(NNC(=O)c1cccc(OCCc2ccccc2)c1)c1ccc(OCc2ccccc2)cc1 10331857 PTTJLKYCEFRUMX-UHFFFAOYSA-N 466.537 4.962 50 10 JJGE CC(=O)C1=C(C)NC(SCCCN2C(=O)c3ccccc3C2=O)=C(C#N)[C@H]1c1sccc1C 20426879 LJTDEOIAWGQCFN-OAQYLSRUSA-N 477.611 4.761 50 10 JJGE O=C(N/N=c1/oc2ccc(Br)cc2cc1C(=O)Nc1ccccc1)c1ccccc1 27495779 YSOBDKDWYUZKRG-SLEBQGDGSA-N 462.303 4.693 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccccc1Br 33849964 PYQALJOZZFMXKX-UYRXBGFRSA-N 491.341 4.900 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1OC 38659458 ZZQAAJKOHRSAER-VWLOTQADSA-N 472.497 4.540 50 10 JJGE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1 39858816 IGJKIEPJEQAIGH-SSZFMOIBSA-N 472.888 4.694 50 10 JJGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(Cl)cc4)c(C)c32)cc1 40813873 GMRPXIOOSNHECL-ZXVVBBHZSA-N 451.910 4.973 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3cccc(F)c3)cc2)cc1 58893309 WZDHWDFXIGCTIL-PFQJNYNCSA-N 450.510 4.767 50 10 JJGE CCN(CC)c1oc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1Sc1ccccc1[N+](=O)[O-] 84774010 BGHSVBLTWHOTQV-OEAKJJBVSA-N 483.506 4.857 50 10 JJGE COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)CCl)cc1OC 97914571 ZVXJWOCVFAKHFN-JOCHJYFZSA-N 465.015 4.523 50 10 JJGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NCC(C)C)c(=O)oc3c2)cc1 206544620 ROIHNNQIVLABRP-BKUYFWCQSA-N 488.540 4.870 50 10 JJGE N#C/C(=C/Nc1ncc(Br)cn1)C(=O)Nc1ccccc1Sc1ccccc1 217244084 WUYAKEMWIWDAMJ-KAMYIIQDSA-N 452.337 4.848 50 10 JJGE CC[C@@H](Br)c1nnc(-c2cc(I)ccc2Br)o1 233824334 MEZZOTIMWOLSPX-MRVPVSSYSA-N 471.918 4.950 50 10 JJGE C[C@@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)NN=Cc1cccnc1 254736554 DJVJSOIZXKWSQO-QGZVFWFLSA-N 492.008 4.559 50 10 JJGE CCCC(=O)[C@H](Br)Cc1ccc(I)c(Br)c1 300897611 IZHGTFQOCMLBGD-SNVBAGLBSA-N 459.947 4.729 50 10 JJGE Cc1cc(C(=O)CCl)c(C)n1-c1ccc(I)c(Br)c1 305996002 HVPWRCDZLWUDMO-UHFFFAOYSA-N 452.517 4.883 50 10 JJGE Nc1cc(Br)ccc1[C@@H]1CN(Cc2ccccc2)C[C@@H]1CI 394693458 QFZCHEORVGQXAI-WMLDXEAASA-N 471.180 4.682 50 10 JJGE C[C@@H]1CC[C@H](CBr)CN1C(=O)c1cc(Br)sc1Br 688646726 SZCWUOGZBGFVJA-HTQZYQBOSA-N 460.029 4.909 50 10 JJGE CC(C)(C)[C@@H](CCCl)NC(=O)c1ccc(I)c(Br)c1 721506768 DUOPQKYEPIIPSY-GFCCVEGCSA-N 458.565 4.827 50 10 JJGE CC(C)(C)C[C@H](CCl)NC(=O)c1ccc(I)c(Br)c1 721594713 RCLSIHAISPPPSG-SNVBAGLBSA-N 458.565 4.827 50 10 JJGE C[C@]1(CBr)CCCCN1C(=O)c1ccc(I)c(Cl)c1 723011925 JUTUXLUPOAVZPF-CQSZACIVSA-N 456.549 4.724 50 10 JJGE COc1ccc(C=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1[N+](=O)[O-] 1084251815 MAWCFOQVBZWNRR-UHFFFAOYSA-N 486.572 4.822 50 10 JJGE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C 1628638920 CDNDTQOVKZBJIK-FYWRMAATSA-N 457.452 4.857 50 10 JJGE C#CCN1CCC(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)CC1 1635160034 HMVNDJAYRHPJHF-UYRXBGFRSA-N 455.389 4.522 50 10 JJGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(F)cc4F)c(C)c32)c1 1772747927 SUXNLIACESOFBP-UHFFFAOYSA-N 453.445 4.598 50 10 JJGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(F)cc1 1865691249 NSCUVOGTBNOBLW-LJQANCHMSA-N 470.426 4.872 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1OC 1865706837 GOXMISHJDLYRRP-XMMPIXPASA-N 482.515 4.973 50 10 JJGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc(OC)c1O 1872795128 OUIMHJAHINYKOY-RIYZIHGNSA-N 454.504 4.623 50 10 JJGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OCc2ccc(F)cc2)c1 1873795331 YKZXDKQZKXMVOZ-YYHBXHNPSA-N 475.586 4.501 50 10 JJGE C[C@H](NC(=O)c1cc(Br)sc1Br)c1nnc(CBr)s1 1877559112 VKKJFDRWYRQSJS-BYPYZUCNSA-N 490.040 4.511 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@H](Br)Cc1c(Cl)cccc1Br 1884185874 ZDEPBKURFHNUDX-SNVBAGLBSA-N 457.549 4.705 50 10 JJGE C[C@@](CBr)(NC(=O)c1cc(Br)sc1Br)C(F)(F)F 2043171428 MWOCJJSMEUADMD-QMMMGPOBSA-N 473.934 4.719 50 10 JJGE FC(F)(F)c1ccnc(-n2nc(CCl)c(I)c2C(F)(F)F)c1 2078890325 NMKHPKPFXABFPQ-UHFFFAOYSA-N 455.527 4.648 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C2CCC1(CBr)CC2 2094090901 MLALVCPHMJSWLU-UHFFFAOYSA-N 451.984 4.744 50 10 JJGE CC(C)C[C@H](CCl)CNC(=O)c1cc(I)ccc1Br 2120748380 RLDBELSBPPXRKR-SNVBAGLBSA-N 458.565 4.685 50 10 JJGE O=C(N[C@@H]1CC[C@H]2C[C@@]21CBr)c1ccc(Br)cc1Br 2132117579 XKUPNFRNCKKMMO-REAQECSSSA-N 451.984 4.505 50 10 JJGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 2152214362 DIGHZZDUJPKSJK-SFHVURJKSA-N 472.832 4.866 50 10 JJGE O=C(c1cc(Br)ccc1I)N1C[C@H]2CCC[C@@]2(CCl)C1 2159399642 CGRBWDWUVUTTHC-MEBBXXQBSA-N 468.560 4.535 50 10 JJGE O=C(c1cc(Br)ccc1I)N1C[C@H](Cl)CCC12CCC2 2174540714 QUNFKMNWWLJRFD-LLVKDONJSA-N 468.560 4.820 50 10 JJGE CCn1cc(Br)c([C@@H](Br)c2cc(Br)cc3c2OCC3)n1 2181175673 MMQAWUQGIPLBDH-LBPRGKRZSA-N 464.983 4.847 50 10 JJGE CC1(C)C[C@H](CBr)CN1C(=O)c1ccc(Cl)c(I)c1 2268343469 BHCLYSAXDPPHQH-SECBINFHSA-N 456.549 4.580 50 10 JJGE O=C(N[C@@H]1CCC[C@@H](CBr)C1)c1ccc(Cl)c(I)c1 2268350060 SGHPYOFLGAXRNZ-MWLCHTKSSA-N 456.549 4.628 50 10 JJGE CCOc1cccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)c1 2294175307 ZILJLDOYZXVUAK-UHFFFAOYSA-N 470.573 4.875 50 10 JJGE COc1ccc(CNC(=O)C(C#N)=Cc2ccc(OC)c(COc3ccc([N+](=O)[O-])c(C)c3)c2)cc1 2295672360 PTSIOGFSNMUGSD-UHFFFAOYSA-N 487.512 4.723 50 10 JJGE COC(=O)c1ccc(NC=C(C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1 2296798407 PYKUKLBBKCUZNE-UHFFFAOYSA-N 474.454 4.588 50 10 JJGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCn2ccnc2)c1 2297466680 ZYIGZKMAPGPBIG-UHFFFAOYSA-N 480.572 4.638 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1OC 2314634551 HZWMCFDIKOJWGA-MUUNZHRXSA-N 498.535 4.939 50 10 JJGE COc1cc(Br)ccc1C(=O)N[C@H](CCBr)COCc1ccccc1 2320359384 BVVNHYWOZNUIFD-MRXNPFEDSA-N 471.189 4.558 50 10 JJGE CCOc1cc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OCc1ccccc1C 2328833140 JSOJGYQZKXBDIR-DEOSSOPVSA-N 483.609 4.972 50 10 JJGE CCOC(=O)c1cnn(-c2ccc(C)cc2)c1NC(=O)C(C#N)=Cc1cccc(Br)c1 2329699655 UOJGZJXEWDXNRR-UHFFFAOYSA-N 479.334 4.666 50 10 JJGE N#CC(=C(O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(F)cc2F)cs1 2331292976 DMMJSUKVQUPPHU-UHFFFAOYSA-N 470.457 4.783 50 10 JJGE Clc1ccc(CN2C[C@@H]3CCC[C@H](C2)C3Br)c(I)c1 2341008508 AKVBNBGZUFDXFK-ODOQXGPZSA-N 454.577 4.940 50 10 JJGE CN(Cc1cccc(I)c1)c1ccnc(Cl)c1CBr 2344711609 MZUKKLWHOBWNFG-UHFFFAOYSA-N 451.533 4.871 50 10 JJGE CC(C)[C@@H]1C[C@@H](Br)CN1C(=O)c1ccc(Cl)c(I)c1 2344768391 HOLRYKVZRYZCNX-MFKMUULPSA-N 456.549 4.579 50 10 JJGE O=C(N[C@@H]1C[C@H](CBr)C12CCC2)c1scc(Br)c1Br 2351635889 UNDSZJJFUNREHL-VXNVDRBHSA-N 472.040 4.957 50 10 JJGE COc1ccc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1I 14014910 VFWZKHOIRHRDGZ-OEAKJJBVSA-N 472.282 4.856 50 10 JJGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)ccc1Cl 38654851 YQOPQOFKNNXFSK-DEOSSOPVSA-N 491.887 4.759 50 10 JJGE COc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(Cc2cccs2)C(=O)CCl)cc1OC 97914821 DOQATELVOOVXJA-OGRDWSCISA-N 479.042 4.769 50 10 JJGE COc1ccccc1CN(C(=O)CCl)[C@H](C(=O)NC1CCCCCC1)c1ccc(F)cc1 97914889 MUSUMCXEHSDJNP-DEOSSOPVSA-N 460.977 4.982 50 10 JJGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1ccccc1Br 217254247 FDRZEBFDVCFJBQ-BENRWUELSA-N 482.119 4.820 50 10 JJGE O=C(NCC1CCC(Br)CC1)c1cc(Br)sc1Br 227784183 ONASOYKBJFFYLC-UHFFFAOYSA-N 460.029 4.957 50 10 JJGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCC(=O)O 1084485270 BIGQFXZDBQONAF-OQLLNIDSSA-N 461.301 4.740 50 10 JJGE CCCCCN1C(=O)C(=NNC(=O)COc2ccc(C)c(C)c2)c2cc(Br)ccc21 1772752325 VORIRZZCPLDMPL-UHFFFAOYSA-N 472.383 4.502 50 10 JJGE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)c1 1858685870 XCRWIHUZTVYSAO-INIZCTEOSA-N 450.451 4.624 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)cc1O 1865680943 AODNZBQAWVVHBZ-OAHLLOKOSA-N 483.233 4.827 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1ccc[nH]1 1865709839 HZYWOYWDKBRKTC-LJQANCHMSA-N 458.319 4.848 50 10 JJGE CCOc1cc(C(=O)NNC(=O)c2ccc(-c3ccc(C)cc3)nc2C)cc(OCC)c1OCC 1865757664 ORMHNTKXNOOEKW-UHFFFAOYSA-N 477.561 4.636 50 10 JJGE C[C@H]1c2ccc(CNC(=O)/C(C#N)=C/c3cccc(Cl)c3)n2CCN1C(=O)OC(C)(C)C 1866129756 JSBXOPKIJQQIJZ-IQFISFIMSA-N 454.958 4.677 50 10 JJGE CCC[C@H](NC(=O)C[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866732894 ZCXXMQIBTGMHPR-YADHBBJMSA-N 479.602 4.838 50 10 JJGE CC[C@@H](NC(=O)[C@H](c1ccc(OC)c(OC)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866994166 FBPOSIDUGIZEPQ-KNQAVFIVSA-N 455.580 4.550 50 10 JJGE Cc1cc2nc(C(=O)N[C@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)cc(C3CC3)n2n1 1867169120 JWXKLSCROORRMD-DEOSSOPVSA-N 482.569 4.598 50 10 JJGE CC1(C[S@](C)(=O)=NCC2(CBr)CCCCC2)CN(C(=O)OC(C)(C)C)C1 1877882222 PAIVLNZCIRCWCB-SANMLTNESA-N 451.471 4.687 50 10 JJGE C[C@H](Cl)CCCc1cn(-c2ccc(I)cc2Br)nn1 2132761179 VQIUEEKPXNYVCM-VIFPVBQESA-N 454.537 4.584 50 10 JJGE CN(C(=O)c1ccc(F)cc1I)[C@H]1CCCCC[C@@H]1Br 2172545879 BKYJLDXOINSWCA-JSGCOSHPSA-N 454.121 4.599 50 10 JJGE Cc1cc(Br)sc1CN(C)S(=O)(=O)c1cc(CBr)cs1 2179817996 UCOHRNHJKSEORG-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE Cc1c([C@@H](Br)c2cc(Br)cc3c2OCC3)c(Br)nn1C 2188146821 XXAFREKAOKYUBM-LBPRGKRZSA-N 464.983 4.673 50 10 JJGE CN([C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21)S(=O)(=O)c1cc(CBr)cs1 2190545893 CSQJIJGRVDHBCR-INDMIFKZSA-N 470.454 4.647 50 10 JJGE Cc1cc(C(=O)NCC[C@@H]2CCCC[C@@H]2Br)ccc1I 2207112307 XQDNDIFKDFFMJO-JSGCOSHPSA-N 450.158 4.673 50 10 JJGE CCn1ncc(Br)c1[C@@H](Br)c1ccc2c(c1Br)CCO2 2238062412 FUSUXKPWBAPFAJ-ZDUSSCGKSA-N 464.983 4.847 50 10 JJGE C=CC[C@]1(CCl)CCCN1C(=O)c1ccc(Br)cc1I 2287795431 ZRASOQFUDIQZAU-OAHLLOKOSA-N 468.560 4.843 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OCCOCCOc1ccccc1C 2293161036 TUAIWRWODACHAT-UHFFFAOYSA-N 490.556 4.685 50 10 JJGE O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)NN=CC=Cc1ccco1 2293724510 UTQLNGPYTCPERD-UHFFFAOYSA-N 450.998 4.984 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C(=O)OC)ccc1OC(=O)c1ccccc1 2295459603 FGDBIOCXHBYJCD-UHFFFAOYSA-N 470.481 4.637 50 10 JJGE Cc1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)cc3)o2)c(=O)n(-c2ccccc2)n1C 2296495462 SRAFPBCBBXARPY-UHFFFAOYSA-N 458.905 4.944 50 10 JJGE N#CC(=CNc1ccc(C(N)=O)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2296790134 QUEIKVQKBUGMGE-UHFFFAOYSA-N 493.342 4.754 50 10 JJGE COC[C@@]1([C@H](Br)c2sc(Cl)cc2I)CCCO1 2301086447 ODCPZRHLQQWECG-GHMZBOCLSA-N 451.551 4.638 50 10 JJGE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(OC)c2)cc1 2314532237 HOOAWFVYVIXPNL-UHFFFAOYSA-N 466.497 4.603 50 10 JJGE CC(C)[C@H](NC(=O)OC(C)(C)C)c1csc(NC(=O)N2CCC(Br)CC2)n1 2362634205 DIUALBWOPROTRE-AWEZNQCLSA-N 461.426 4.756 50 10 JJGE COc1cccc(C(O)(C(=O)NN(Cc2ccccc2)Cc2ccccc2)c2cccc(OC)c2)c1 27521404 BWNJJIRNLUJLKK-UHFFFAOYSA-N 482.580 4.673 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)c(OC)c1 38656778 IHTSWDWFBZLTGU-QHCPKHFHSA-N 462.889 4.795 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1OC 38658366 SNYQXFRMJXQPRS-RUZDIDTESA-N 492.915 4.560 50 10 JJGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c1 39858621 WKNUBCJNHXCYQZ-HKWRFOASSA-N 450.498 4.958 50 10 JJGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3F)nc3ccccn3c2=O)cc1 102846302 NQXYNQRYVQDICY-ICFOKQHNSA-N 470.460 4.570 50 10 JJGE CC(C)(CCCBr)CNC(=O)c1ccc(I)c(Cl)c1 227924265 PIVFFQMXSWSRIJ-UHFFFAOYSA-N 458.565 4.876 50 10 JJGE CC(=NNC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1)c1ccc(Br)s1 254617529 VVNNZUBYBXEUOL-GASCZTMLSA-N 492.439 4.833 50 10 JJGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3c[nH]c4c(CC)cccc34)cc2)cc1 254825166 DXMWNYRFPOFRJK-UHFFFAOYSA-N 490.585 4.694 50 10 JJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc(O)cc2)cc1OC 254876368 JGIZSGCVBGGOAX-UHFFFAOYSA-N 470.481 4.546 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3cccc4ccccc34)cc2)cc1 263631506 QUELWXUWPDNGDA-UHFFFAOYSA-N 481.508 4.547 50 10 JJGE CC[C@H]1[C@H](CCl)CCN1C(=O)c1cc(Br)ccc1I 385647187 KPZZQEIKJIUBHL-ZANVPECISA-N 456.549 4.533 50 10 JJGE C[C@@]1(CBr)CCCN(c2ncc(C(F)(F)F)cc2I)C1 686107808 ASQAHDJZDSXBID-LBPRGKRZSA-N 463.079 4.706 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)NCc2csc(Br)c2)c(-c2ccccc2)n1 915201061 GEDCSMSIUWUWMO-YVLHZVERSA-N 466.364 4.511 50 10 JJGE CCCCOc1ccc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 1083896592 MRYGBHOJEPAHSG-UHFFFAOYSA-N 493.629 4.828 50 10 JJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(Cl)c(Cl)c2)c2ccccc2F)cc1 1084523184 SQVRCFLCDGCTGS-UHFFFAOYSA-N 494.375 4.787 50 10 JJGE C/C(=C\C(=O)NNC(=S)Nc1cccc(Br)c1)c1ccccc1C(F)(F)F 1623472048 ZTZJKDNUXSVWQD-PKNBQFBNSA-N 458.303 4.889 50 10 JJGE C=CC[C@]1(C(=O)NNc2cc(Cl)ccc2Br)CCCN1C(=O)OC(C)(C)C 1651622297 IJVYWCPBZCPIHX-LJQANCHMSA-N 458.784 4.891 50 10 JJGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689823 XGTCJTVWWBVCFI-HXUWFJFHSA-N 495.377 4.828 50 10 JJGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707210 QZJYDTDXMOULHB-FQEVSTJZSA-N 450.926 4.719 50 10 JJGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714423 JXWPSZZELNRHAJ-SFHVURJKSA-N 486.167 4.924 50 10 JJGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CCl)sc1Br 1915017197 DSLMHMDXZGWSRY-HNNXBMFYSA-N 477.877 4.535 50 10 JJGE O=C(c1cc(Br)sc1Br)N1[C@H]2CC[C@@H]1C[C@@H](Br)C2 2037416774 ORAHIYWNEIVGGY-WHUPJOBBSA-N 458.013 4.804 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@@H]2CC(Br)C[C@H]2C1 2065396053 BSVRPYRXNOFWKU-BQBZGAKWSA-N 458.013 4.519 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@H]2[C@H]3CC[C@H]4[C@@H](C3)C[C@H]42)C1 2077680558 LDHRKTBAPVSNKR-SAKUIJKHSA-N 461.384 4.642 50 10 JJGE COc1cccc(-n2nc(CBr)c(I)c2C(F)(F)F)c1C 2079250115 AJMSCBFTEIIOLH-UHFFFAOYSA-N 475.046 4.708 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H](Br)C2(CCC2)C1 2108694887 LWMPHWABUPYARA-GFCCVEGCSA-N 451.984 4.601 50 10 JJGE Cc1nn(C)c(Br)c1C[C@@H](CBr)c1ccccc1Br 2129307261 HPMMQCCPJFZAIZ-JTQLQIEISA-N 451.000 4.975 50 10 JJGE Cl[C@@H]1CC[C@@H]2CCN(c3ncc(I)cc3Br)C[C@@H]2C1 2139262914 SMGANZZAFZQLKZ-OUAUKWLOSA-N 455.565 4.683 50 10 JJGE O=S(=O)(c1c(CBr)sc2ccccc12)N1CC[C@@H](OCc2ccccc2)C1 2179826047 OHZZBQZSFFYKMK-MRXNPFEDSA-N 466.422 4.776 50 10 JJGE BrC[C@@H]1C[C@H]2OCCN(Cc3cccc(Br)c3Br)[C@@H]2C1 2199761128 AVYYMTNCWCYDME-ZLKJLUDKSA-N 468.027 4.586 50 10 JJGE O=C(c1cc(I)ccc1Br)N1[C@@H](CCl)CCC12CCC2 2205772769 LCDVUKPQURZXBU-LLVKDONJSA-N 468.560 4.820 50 10 JJGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC[C@H]1C[C@H](Br)C1 2241638370 XRCMROFBRJVAMA-QAQDUYKDSA-N 471.395 4.595 50 10 JJGE C[C@H]1CCCN(C(=O)c2ccc(Cl)c(I)c2)[C@@H]1CBr 2268345877 ONLRCCHYBNXATO-TVQRCGJNSA-N 456.549 4.580 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(F)(F)F)CCN1CC1(CBr)CC(F)C1 2280358285 AFJAPFBIBVCXHZ-SMOJQAGNSA-N 461.338 4.667 50 10 JJGE COc1ccc([C@H](Br)c2ccc(OC)c(I)c2)c(F)c1 2285016172 XQIMLMXNKYCHDB-OAHLLOKOSA-N 451.073 4.932 50 10 JJGE CC1=NN(c2ccc(I)cc2)C(=O)C1=CNc1ccc(SC#N)cc1 2297511565 NHTLEGZYSBWDOO-UHFFFAOYSA-N 460.300 4.583 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Cl)cc2Cl)c(OC)c1 2314777756 SPKJRMNTVADBHM-UHFFFAOYSA-N 477.344 4.810 50 10 JJGE C[C@@H](Br)CN(c1ncc(I)cc1Br)C1CCCC1 2320005688 DPZIWUBSQIIJRI-SECBINFHSA-N 488.005 4.981 50 10 JJGE BrCc1cc(OCc2ccc(I)c(Br)c2)ccn1 2325385385 ALBBCPCIFTWTTK-UHFFFAOYSA-N 482.941 4.923 50 10 JJGE Cl[C@@H]1C[C@H](CNCc2ccc(I)c(Br)c2)C12CCC2 2349857854 DABKKDNKZOVKHH-BXUZGUMPSA-N 454.577 4.941 50 10 JJGE O=C(Cc1cccc(C(F)(F)F)c1)NN=Cc1cccn1-c1ccc(I)cc1 8451593 ILDVWEINXLWFPN-UHFFFAOYSA-N 497.258 4.794 50 10 JJGE Cc1ccc2nc(N(/N=C/c3ccco3)C(=O)c3cccc(N4C(=O)CCC4=O)c3)sc2c1 9149309 VZHZRUQCVTXBJU-AFUMVMLFSA-N 458.499 4.532 50 10 JJGE O=C(NNC(=O)c1ccc(-c2ccc(F)cc2)s1)c1cccc(OCc2cscn2)c1 10735789 BOOYCGBONIMVNQ-UHFFFAOYSA-N 453.520 4.665 50 10 JJGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)Cc2cccc3ccccc23)cc1Br 13977099 GSTIUPNZTQZPOM-UHFFFAOYSA-N 498.446 4.778 50 10 JJGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1 33931493 MCEHLIBRTSLLFG-SILNSSARSA-N 480.524 4.912 50 10 JJGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 38653879 ZCFIFWQGOQESHY-DEOSSOPVSA-N 469.453 4.597 50 10 JJGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)c1 38684392 KEUUVIIHHAYUDN-HHHXNRCGSA-N 470.525 4.986 50 10 JJGE CCN(c1cccc(C)c1)c1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40572483 VVJSNIRKLGUXRR-UHFFFAOYSA-N 461.309 4.915 50 10 JJGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-] 40649090 XLVNRYNQDXUEQF-UHFFFAOYSA-N 483.699 4.611 50 10 JJGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)COc2c(C)cc(Br)cc2C)c1 40934789 BPOXAXXIFOOWTP-LICLKQGHSA-N 458.308 4.520 50 10 JJGE CCc1ccc(N(C(=O)/C(C#N)=C/c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 40977761 VVLIOAVJKVNPDE-OQKWZONESA-N 460.555 4.895 50 10 JJGE COc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)NCCc3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 102976665 OEDNAHUVGQSQNH-SJCFVWOQSA-N 497.620 4.789 50 10 JJGE Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)NNC(=O)c1cc(-c2ccco2)nc2ccccc12 106089615 RULSATPXUUKTOT-UHFFFAOYSA-N 487.466 4.650 50 10 JJGE Cc1cccc(C)c1-n1c(SCC(=O)/C(C#N)=C2\Nc3ccccc3N2C)nc2ccccc2c1=O 209847183 VCSFWLHITGJXTP-LHLOQNFPSA-N 493.592 4.961 50 10 JJGE N#C/C(=C/c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(-c2ccco2)cs1 214015342 TVXFYUFPPVHPID-ZSOIEALJSA-N 479.499 4.849 50 10 JJGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\NCCc1ccc(Br)cc1 217241257 JVSJDRKATYYAMY-VLGSPTGOSA-N 470.367 4.584 50 10 JJGE O=C(NC[C@@H]1CCCC[C@H]1Br)c1cc(Br)sc1Br 232486715 RPBLCLAUGOYBJK-IONNQARKSA-N 460.029 4.957 50 10 JJGE COc1cc(C=NNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccc([N+](=O)[O-])cc1 254380548 CNVIVJOQDPGAOS-UHFFFAOYSA-N 490.428 4.601 50 10 JJGE O=C(NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1O 254876633 BUMSZCCRTSOLQY-UHFFFAOYSA-N 460.273 4.950 50 10 JJGE O=c1sccn1CCC(CBr)(CBr)c1ccccc1Br 700211341 KVTVXZTYGIFVBF-UHFFFAOYSA-N 484.051 4.790 50 10 JJGE C[C@H]1CCN(C(=O)c2cc(Br)sc2Br)C[C@H]1CBr 700420941 XRUFAXADZRJTPD-JGVFFNPUSA-N 460.029 4.766 50 10 JJGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1 1084062310 MAPUWMDXOJRXOI-UHFFFAOYSA-N 464.934 4.678 50 10 JJGE N#C/C(=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)N1CCN(c2ccccc2)CC1 1084303937 FHNZZEQQUWEIDU-NBVRZTHBSA-N 461.905 4.554 50 10 JJGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1 1084586672 JAKSGBSUQMCDEA-QHCPKHFHSA-N 467.363 4.992 50 10 JJGE CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1 1865683386 KPFIGGBTLNLLBN-GOSISDBHSA-N 473.886 4.888 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)c(OC)c1 1865708098 NYWNIKURFRCJFX-DEOSSOPVSA-N 482.515 4.973 50 10 JJGE CSCC[C@@H](NC(=O)Cc1nc(-c2ccccc2C)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866646464 RZLADRHLSWOWIG-OAQYLSRUSA-N 494.642 4.951 50 10 JJGE O=C(c1ccc(O)c(Br)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2003592481 ZKEKTPZYUGWJJR-KRWDZBQOSA-N 453.174 4.971 50 10 JJGE C[C@@H]1C[C@@H](CBr)CCN1C(=O)c1cc(Br)c(Br)s1 2052359729 MHMGJGGAOIGSRE-SFYZADRCSA-N 460.029 4.909 50 10 JJGE COc1cc(C)c(Cn2nc(CCl)c(I)c2C(F)(F)F)cc1C 2079210571 VEHOIUSOAPOPIN-UHFFFAOYSA-N 458.649 4.919 50 10 JJGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cn(C)c(Br)n1 2141625570 WGRMPCVOTSHONC-LLVKDONJSA-N 452.972 4.746 50 10 JJGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1c(Br)cccc1Br 2150490903 ZESRNVYYCCWJAR-MNUQUWEESA-N 466.011 4.988 50 10 JJGE O=C(NC[C@H]1CCCC[C@@H](Cl)C1)c1ccc(I)c(Br)c1 2163747603 CWJHFAYZASQWGC-CMPLNLGQSA-N 470.576 4.971 50 10 JJGE CN(C)CCCN(Cc1ccccc1)S(=O)(=O)c1cc(F)c(Cl)c(CBr)c1 2179862009 PLTDJFUIPZEQIL-UHFFFAOYSA-N 477.827 4.517 50 10 JJGE Fc1cc(Br)cc(N2CC[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1CCl 2185506549 BQMQRDIYEXRRAF-RTWAWAEBSA-N 453.783 4.807 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CCC[C@H]1CCCBr 2268356765 HWBQMROBGXEVEL-LLVKDONJSA-N 456.549 4.724 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1ccc(Cl)c(I)c1 2283668746 ZSJQSOUBRSFHEZ-AEHQLWAISA-N 468.560 4.627 50 10 JJGE Cn1nc(Br)c(Br)c1C(=O)N(Cc1ccccc1)C1(CCl)CCC1 2301120852 OFOZQNLBSNBERM-UHFFFAOYSA-N 475.612 4.749 50 10 JJGE CC[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@@H]1Br 2306226321 YQBVADBEGUCUBW-PWSUYJOCSA-N 472.990 4.659 50 10 JJGE N#CC(=Cc1cn(CC(=O)Nc2ccccc2)nc1-c1ccccc1)c1nc(O)c2ccccc2n1 2314433355 MQSSLQRJNHTOLQ-UHFFFAOYSA-N 472.508 4.902 50 10 JJGE C[C@H]1CCCN(C(=O)c2ccc(Cl)cc2I)[C@H]1CBr 2340057664 NRHHTMLYGWJGFS-ZANVPECISA-N 456.549 4.580 50 10 JJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Br)cc2C)cc1 14643340 SWAJPWUIJGHJST-YOEHRIQHSA-N 477.399 4.573 50 10 JJGE CN(C)c1ccc(NC(=O)C(C)(C)CCl)cc1CN(C[C@H]1CCCO1)C(=O)c1cccs1 34921662 YVONLSBXEOLNCW-LJQANCHMSA-N 478.058 4.839 50 10 JJGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc21 38650449 UUVNTJKNYABKPX-RUZDIDTESA-N 476.916 4.941 50 10 JJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1OC 38680827 MDEFEHGEUCKSQB-SANMLTNESA-N 484.508 4.706 50 10 JJGE O=C(NNc1ncnc(Nc2ccccc2Cl)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40648159 CUSRRXLTVPIOBV-UHFFFAOYSA-N 453.673 4.846 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)c(C)c2)cc1 40988138 IJMOXXMZQCOQSI-QGOAFFKASA-N 471.351 4.565 50 10 JJGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242018 OYPMZJJSODBEEB-NLTRVXJZSA-N 471.582 4.893 50 10 JJGE CC(C)N(CCCBr)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 147621033 PRAPIPABJLFZJC-UHFFFAOYSA-N 468.038 4.940 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(C)c(C)c1 206398648 VBPACCGZGDHPJY-UCQKPKSFSA-N 470.525 4.520 50 10 JJGE CCOc1ccc([C@H](Br)c2cnn(C)c2I)cc1Br 379209672 MHPIOUZVLCRPMF-LBPRGKRZSA-N 499.972 4.670 50 10 JJGE CCOc1ccc([C@@H](Br)c2cnn(C)c2Br)c(Br)c1 381883239 IDVGOQYMNYGMKM-GFCCVEGCSA-N 452.972 4.828 50 10 JJGE ClCCc1nc2cc(I)ccc2n1Cc1ccn(Cc2ccccc2)n1 389607332 CFTOUPMUWZIAKN-UHFFFAOYSA-N 476.749 4.715 50 10 JJGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1cnn(C)c1I 393656293 ULVUNIZUWQZYPY-JTQLQIEISA-N 475.939 4.777 50 10 JJGE C[C@H]1C[C@@H](CBr)CN(C(=O)c2cc(Br)sc2Br)C1 398699715 SOROHUJDIKGJQQ-YUMQZZPRSA-N 460.029 4.766 50 10 JJGE CC1(C)[C@@]2(/C=C/[C@@]34CC[C@@](C(=O)O)([C@H]3Br)C4(C)C)CC[C@@]1(C(=O)O)[C@H]2Br 675029669 DZCAUHVDKAGJQC-SUFVVCSXSA-N 490.232 4.852 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CCSC[C@H]1CCBr 689279943 PYHFKLQQHVUEAB-SNVBAGLBSA-N 472.040 4.554 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1 1084062009 WSLMKJYCPWJUPF-XMMPIXPASA-N 477.517 4.536 50 10 JJGE COc1cccc(C(=O)NN=Cc2ccc(Sc3nc4ccccc4c(=O)n3-c3ccccc3)o2)c1 1084480729 ZJSBGEHUTQOKET-UHFFFAOYSA-N 496.548 4.902 50 10 JJGE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NNC(=O)c1ccc(OCCC(C)C)cc1 1624302229 ASXKSZXQFHTYFF-JQIJEIRASA-N 450.457 4.875 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)cc1OCC 1865688886 DHIKESXBPHRTEX-DEOSSOPVSA-N 458.562 4.818 50 10 JJGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2CC(C)C 1865692829 JKTNMTIDYQPNCD-QFIPXVFZSA-N 474.561 4.840 50 10 JJGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)C(=O)N(c2c(C)cccc2C)C3=O)cc1 1866214234 YPSFBLKHPJTZFK-RCCKNPSSSA-N 495.535 4.675 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1C 1872746492 KJAQOSQHIGRHJK-MNDPQUGUSA-N 490.497 4.514 50 10 JJGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1 1873794937 KAZGJERWPJRSGP-IEIKYZJLSA-N 473.573 4.852 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@H](Br)Cc1cc(Br)cc(OC2CC2)c1 1900518023 DQNUVVCDXIEGDR-CQSZACIVSA-N 479.168 4.593 50 10 JJGE CC(C)(C)OC(=O)N[C@@H](CBr)Cc1cc(Br)ccc1OC(F)F 1984035573 WYRBFKPCCZGNAJ-LLVKDONJSA-N 459.125 4.881 50 10 JJGE C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1NCCSSCCNC(=O)OC(C)(C)C 1991591527 YSMDOBMHEYDDHK-IRXDYDNUSA-N 463.710 4.518 50 10 JJGE C[C@]1(CCl)CCCCN1C(=O)c1ccc(Br)cc1I 2142277976 XEEHWBNXNVFRJX-CQSZACIVSA-N 456.549 4.677 50 10 JJGE C[C@]1(CCl)CC(F)(F)CN1C(=O)c1cc(Br)ccc1I 2159054748 PFHTZJITHGSBSP-GFCCVEGCSA-N 478.502 4.532 50 10 JJGE Cc1cc(S(=O)(=O)N(C)[C@H]2CN(Cc3ccccc3)C(C)(C)C2)sc1CBr 2179824424 UZGKCHXLSCZIFK-QGZVFWFLSA-N 471.486 4.625 50 10 JJGE CO[C@](C)(COCc1ccccc1)Cn1c(CCl)nc2c(C)c(Br)cnc21 2184936705 ZIOGRVNTGQDGIG-FQEVSTJZSA-N 452.780 4.863 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCc1ccccc1C(F)(F)F 2220475473 XCIVSNWURVGECY-INIZCTEOSA-N 473.273 4.940 50 10 JJGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 2242382077 FIJCCJMEECSKAZ-YNEHKIRRSA-N 475.346 4.853 50 10 JJGE O=C(NCCSCCCBr)c1cc(Br)sc1Br 2299182276 KALKYSWDRSZOAD-UHFFFAOYSA-N 466.058 4.521 50 10 JJGE COC(=O)C(C#N)=Cc1cccc(OC(=O)COc2ccc(Br)cc2C(C)(C)C)c1 2314760335 LSXQBZLLAGAOBH-UHFFFAOYSA-N 472.335 4.811 50 10 JJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2ccc(Br)cc2Br)[C@H]1C 2344520767 PIRWEOJGMCURFV-AUTRQRHGSA-N 454.000 4.846 50 10 JJGE O=C(NNC(=O)c1ccccc1OCCc1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1 10509196 FTUCQZSNWUYQPH-UHFFFAOYSA-N 485.584 4.902 50 10 JJGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)Cc1cccc2ccccc12 13976976 JTJJKYBGOHUIOJ-UHFFFAOYSA-N 490.412 4.570 50 10 JJGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3)ccc21 38660661 KJKYTNMWHAPECU-JOCHJYFZSA-N 477.314 4.895 50 10 JJGE CCN(CC)CC(=O)N/N=C/c1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 39899604 WGQDVUDIIBZOSI-WYMPLXKRSA-N 474.790 4.505 50 10 JJGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c1 39992886 LMFHSTAHHCFPOQ-HMMYKYKNSA-N 450.498 4.958 50 10 JJGE CC(=O)c1cccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])c1 40593529 PWRDEMZEOAMLCU-UHFFFAOYSA-N 482.500 4.606 50 10 JJGE CCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc1 40814621 IIIOCXGQLVUEJK-SGWCAAJKSA-N 490.516 4.547 50 10 JJGE O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 59153452 RLUZRZWORISNBG-AFUMVMLFSA-N 464.478 4.962 50 10 JJGE C/C(=N/NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1)c1ccc(Br)s1 59664176 VVNNZUBYBXEUOL-MJXVQFDPSA-N 492.439 4.833 50 10 JJGE CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)N(C)c3ccccc3)c2C)cc1 96445785 PCWSRFHRIASKAF-BAVLMPOVSA-N 471.557 4.995 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N(CCCBr)C(C)C)cc1Br 155825417 KHOPJLMDZKMWPP-UHFFFAOYSA-N 492.071 4.704 50 10 JJGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)ccc2OC)cc1 205649715 AKQOKYHCAHKFML-PMKSQJLDSA-N 484.508 4.549 50 10 JJGE O=C(N[C@H]1CCCCC[C@H]1Cl)c1cc(I)ccc1Br 236042366 OMBGSVAJVCMVAD-OLZOCXBDSA-N 456.549 4.724 50 10 JJGE C[C@H](Br)C[C@@H]1CCCN1c1ncc(C(F)(F)F)cc1I 686113017 KMVKCPZNRVKJGB-WPRPVWTQSA-N 463.079 4.847 50 10 JJGE C[C@H]1CCCN(C(=O)c2cc(Br)ccc2I)[C@@H]1CCCl 700358369 HRKKODNXPFBSCC-IINYFYTJSA-N 470.576 4.923 50 10 JJGE Cc1sc([C@@H](Br)c2cnn(C)c2I)c(C)c1Br 724925986 XYXJBVWWYDGVLZ-VIFPVBQESA-N 490.002 4.950 50 10 JJGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OC 725422612 FUHYMOFAJSRMRP-NRFANRHFSA-N 475.383 4.549 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(CN3CCCC3=O)c2)c(C)n1-c1ccc(F)cc1 914610768 AJHDCEQMMHOFQQ-PXLXIMEGSA-N 456.521 4.901 50 10 JJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(Cc2ccccc2F)c2ccccc21 1084318497 FTPPREACUSTUEA-CQSZACIVSA-N 486.330 4.967 50 10 JJGE CC(=O)N1CC[C@H](NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)c2ccccc21 1525998966 VTDYGYVGLYAAQM-IJKLPWTBSA-N 456.521 4.754 50 10 JJGE O=[N+]([O-])c1cc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)ccc1Cl 1614618405 YBDMHJGFDDGUGL-HOTGVXAUSA-N 456.711 4.899 50 10 JJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)cc1OCC 1865688174 MCJBCVRTHBVSMQ-DEOSSOPVSA-N 460.534 4.595 50 10 JJGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865707649 CEOLSUNZIUPXPE-OAQYLSRUSA-N 450.926 4.714 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)c(OC)c1 1865708460 XFSNZHPITDDEQD-OAQYLSRUSA-N 471.344 4.782 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(C(=O)O)cc1)C(C#N)=C(N)O2 1865708550 AYFHVOZXZPCMPJ-FQEVSTJZSA-N 466.900 4.593 50 10 JJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc1 1865709324 UOEDJMXGVZGGFV-DEOSSOPVSA-N 492.535 4.861 50 10 JJGE CCCC[C@@H](NC(=O)c1cc(-c2ccc(F)c(F)c2)[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867091464 CVZPJQHYIAWAPO-LJQANCHMSA-N 469.517 4.855 50 10 JJGE COc1cc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccccc3Cl)cs2)cc(OC)c1OC 1872746632 QNKRBTSTFYQWDX-SDXDJHTJSA-N 485.949 4.712 50 10 JJGE CCOc1cc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCc1ccccc1C 1873795026 NZNXBSRMRVBCDZ-YGYFLSRZSA-N 481.593 4.822 50 10 JJGE FC1(F)[C@@H]2COC[C@@]21[C@@H](Br)c1sc(Br)cc1Br 1906051508 WEDKINGKANNISR-YRZRMSQOSA-N 452.940 4.991 50 10 JJGE CCN(C[C@@](C)(CBr)OCCOCCOCc1ccccc1)C(=O)OC(C)(C)C 1910530001 GQLPGADYANXMEV-JOCHJYFZSA-N 474.436 4.647 50 10 JJGE O=C(NCC[C@H]1CCC[C@@H]1Cl)c1cc(Br)ccc1I 1913715208 QZECUPJXYOFALG-SKDRFNHKSA-N 456.549 4.581 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@@]2(CCC[C@@H]2Br)C1 1918940000 PIJLAYDKFKLDBF-ZFWWWQNUSA-N 466.011 4.991 50 10 JJGE O=S1(=O)CCC[C@H]([C@@H](Br)c2cc(Br)c(Br)s2)C1 1942228091 SCNJRWFTUDCXFP-IMTBSYHQSA-N 467.042 4.534 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CC[C@]12C[C@@H](CBr)C2 2061803035 YDEOMLKGOFWOHP-HCJPZQEFSA-N 458.013 4.663 50 10 JJGE CC[C@@H]1CN(C(=O)c2csc(Br)c2Br)C[C@H]1CBr 2084901299 VAXFHOOVYRHSLB-HTQZYQBOSA-N 460.029 4.766 50 10 JJGE COc1ccc([C@@H](Br)c2cc(I)cc3c2OCC3)s1 2095796508 WDDMVBLBDFINCG-ZDUSSCGKSA-N 451.123 4.781 50 10 JJGE Fc1cc(I)ccc1-n1c(CCl)nc2cncc(Br)c21 2151793031 IJGQODAKAIUGPH-UHFFFAOYSA-N 466.479 4.666 50 10 JJGE O=C(c1scc(Br)c1Br)N1CCC(COCCBr)CC1 2167399180 YQDMZMTWEGITOF-UHFFFAOYSA-N 490.055 4.537 50 10 JJGE C[C@H]1CCC[C@@](CCl)(NC(=O)c2ccc(Br)cc2I)C1 2207269334 QJXWTSQABVSMSS-ZUZCIYMTSA-N 470.576 4.971 50 10 JJGE CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCCCI)C2)CC1 2248250241 ODYBVRQZMKJMIQ-QGZVFWFLSA-N 450.405 4.561 50 10 JJGE C[C@]1(CNC(=O)c2ccc(I)c(Cl)c2)CCC[C@H]1Br 2271298375 QYVBELIIIKWHIN-TZMCWYRMSA-N 456.549 4.628 50 10 JJGE O=C(NC[C@@]12CCC[C@@]1(CBr)C2)c1ccc(Cl)c(I)c1 2283664797 KIZKAFJDEZSKEZ-GJZGRUSLSA-N 468.560 4.630 50 10 JJGE Cn1nc(Br)c(Br)c1C(=O)N(Cc1ccccc1)[C@H](CCl)C1CC1 2301120394 HGWPJPPTCFLAOZ-CYBMUJFWSA-N 475.612 4.605 50 10 JJGE N#CC(=Cc1ccccc1OCc1ccccc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2314716973 FAHOGDQHRGGFGV-UHFFFAOYSA-N 457.555 4.850 50 10 JJGE COc1ccc(N(C(=O)C(C#N)=Cc2ccccc2OC)S(=O)(=O)c2ccc(Cl)cc2)cc1 2314777734 RWOZKFCJMQQBCK-UHFFFAOYSA-N 482.945 4.686 50 10 JJGE CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc(C(C)C)cc2Br)c(O)c1 5947094 LBTXDMXNUSRSLE-ZMOGYAJESA-N 462.388 4.653 50 10 JJGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1ccc2ccccc2c1 12583805 IJMMBNJCQIXSTQ-SSDVNMTOSA-N 462.141 4.894 50 10 JJGE C=CCc1ccc(OCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c(OC)c1 20228595 JTHZDBCQLNJYOI-OCSSWDANSA-N 484.531 4.945 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1cccc(Br)c1 38651492 QOFIWNXCGKYBQY-NRFANRHFSA-N 492.285 4.795 50 10 JJGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)c1 38684391 PIYFINWANXZNHU-MHZLTWQESA-N 486.524 4.687 50 10 JJGE CCCCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc1 40910539 FAZIPPGFAHJKCN-WSDLNYQXSA-N 484.188 4.920 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 40926369 YDNOFMQHZJDUOM-MHWRWJLKSA-N 495.875 4.682 50 10 JJGE COC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCCC(C)C)c(OC)c2)c(OC)c1 207166430 QMWKQQADZLGYOQ-TUZLPLBJSA-N 479.529 4.827 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CCCC[C@@H]1CCBr 232459626 OPPAZPCNIPTWRW-CYBMUJFWSA-N 454.000 4.991 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3cccs3)n2-c2ccc(C)cc2)cc1 254818912 MJWDKJSZFBKONS-UHFFFAOYSA-N 477.615 4.945 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccccc2Br)C1 382692991 UUIOJVBBLMXDFL-DGCLKSJQSA-N 466.157 4.835 50 10 JJGE COc1ccc(Oc2ncc(CCl)cc2Br)cc1I 712926262 RJLZORMYUMBHTI-UHFFFAOYSA-N 454.489 4.988 50 10 JJGE Cc1ccc(N(CC(=O)NN=Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)c1 1084579216 CIMPBNXJBFEULO-UHFFFAOYSA-N 490.412 4.956 50 10 JJGE CC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(COc3ccc(Cl)c(C)c3)cc2)cc1 1667045329 DHSBILYZQNCNQM-UHFFFAOYSA-N 451.910 4.897 50 10 JJGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 1865690634 XQQGQIBPQLKQOX-AREMUKBSSA-N 464.525 4.987 50 10 JJGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(Cl)c(O)c(OC)c1 1865707491 XXFRVTDPHHVCIH-LJQANCHMSA-N 466.925 4.554 50 10 JJGE CCc1nn(C)c([C@@H](Br)Cc2ccncc2Br)c1Br 1877176818 UUUKWALAARXIFS-VIFPVBQESA-N 451.988 4.581 50 10 JJGE CC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CS(=O)(=O)C1 1923073855 BUFWOACNYQGVBQ-ZCFIWIBFSA-N 487.460 4.797 50 10 JJGE C[C@@H]1CC[C@H](CCl)N(C(=O)c2ccc(I)c(Br)c2)C1 2110600548 VAOJMGSRWJNYEY-MWLCHTKSSA-N 456.549 4.533 50 10 JJGE O=C(NC[C@H]1CCCC[C@H](Cl)C1)c1cc(I)ccc1Br 2163753712 LQZSDJWBBLEJOV-QWRGUYRKSA-N 470.576 4.971 50 10 JJGE O=S1(=O)CCc2cc([C@H](Br)c3cc(Cl)c(Br)s3)ccc21 2170066191 FWMPIRYUYDFWPU-LBPRGKRZSA-N 456.608 4.978 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@]2(CCCN(CCCCCI)C2)C1 2214704425 DLPFQLWVTGKOLG-LJQANCHMSA-N 450.405 4.705 50 10 JJGE Cc1cc(C(=O)N2CCC[C@@H](CCCBr)C2)ccc1I 2234191316 KFTWEGBJBFIDGS-CYBMUJFWSA-N 450.158 4.627 50 10 JJGE CC1(C)CCCN(C(=O)c2ccc(Cl)c(I)c2)[C@@H]1CBr 2283667752 IYVAGTHVNIEPJH-CYBMUJFWSA-N 470.576 4.970 50 10 JJGE CC1(CBr)CCN(C(=O)Cc2cc(Br)cc(Br)c2)CC1 2295317354 LWPBQDASNPDXNN-UHFFFAOYSA-N 468.027 4.778 50 10 JJGE N#CC(=Cc1ccc(COc2ccc(Br)cc2)o1)C(=O)NCc1ccc2c(c1)OCO2 2295672640 GOEPJWFOSGZVLW-UHFFFAOYSA-N 481.302 4.573 50 10 JJGE CCOc1ccc(N(C(=O)C(C#N)=Cc2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 2314777665 OZWRXSMSLCGTGC-UHFFFAOYSA-N 476.554 4.731 50 10 JJGE COc1ccc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1OCc1ccc(C)cc1 2328833177 WLMYMLRAXZLJAD-QHCPKHFHSA-N 469.582 4.582 50 10 JJGE C[C@@](CI)(OC[C@@H]1O[C@H]2CC[C@H]1C2)c1ccccc1Br 2380671117 GDBMQCHGVMYDFR-APYUEPQZSA-N 451.142 4.683 50 10 JJGE Cc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)cc1 3038362 YZPZGGVYNATQEY-PWAGCUNGSA-N 485.024 4.638 50 10 JJGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(Cl)cc2Cl)c(OC)c1 6603483 LPZVTUPOBOINPZ-HUYUXTNASA-N 457.313 4.830 50 10 JJGE O=C(CN1CCOCC1)NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 19890644 YQHIMDQFIBWOFC-UHFFFAOYSA-N 491.202 4.662 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@@H]1c1cccc(F)c1 38678036 OGFZPDILERBRBE-QHCPKHFHSA-N 450.853 4.682 50 10 JJGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 40869987 VWHUKLQVHPFLSU-MXHDTTNDSA-N 498.535 4.555 50 10 JJGE COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 59146440 XPKGUGSAYMAWPA-WPWMEQJKSA-N 474.538 4.688 50 10 JJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/C(Cl)(Cl)Cl 59261653 DUWVLQJZGJCERE-MOSLJXCSSA-N 496.251 4.682 50 10 JJGE CCOC(=O)c1cc(Br)ccc1-c1ccc(/C=C2/C(=O)N=C(O)C(C#N)=C2C)o1 103586065 ZYJIZELRGYIMAZ-OQLLNIDSSA-N 455.264 4.606 50 10 JJGE C[C@@H](Br)C1CCN(C(=O)c2ccc(I)c(Cl)c2)CC1 235129966 QYNJSIRKEFILFH-SECBINFHSA-N 456.549 4.580 50 10 JJGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(N(CCCl)CCCl)cc1 254737735 ZHZUXWZLHMVDBW-UHFFFAOYSA-N 467.447 4.823 50 10 JJGE O=C1NCCCc2ccc([C@H](Br)c3sccc3I)cc21 312891044 ICGOVCWFXCDEKH-ZDUSSCGKSA-N 462.150 4.513 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccccc2S)C1 394745151 ZIWOYIWYAOYTLK-NVXWUHKLSA-N 453.345 4.763 50 10 JJGE C[C@@H]1C[C@@H](CBr)CN(C(=O)c2ccc(Br)cc2Br)C1 398839845 UBODUASEWOFBAB-ZJUUUORDSA-N 454.000 4.705 50 10 JJGE CCC(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccccc2)cc1 1083977372 KJLDJJIRFATOOS-UHFFFAOYSA-N 494.345 4.781 50 10 JJGE N#Cc1ccccc1COc1ccc(Br)cc1C=NNC(=O)CC[C@@H](O)c1ccccc1 1084021534 KUPSRWHTGRHCDI-HSZRJFAPSA-N 492.373 4.864 50 10 JJGE C#CCOc1ccc(F)cc1NC(=O)NNc1c(Br)cccc1Br 1476223742 FRVLJXPKKYPNJJ-UHFFFAOYSA-N 457.097 4.511 50 10 JJGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(N(C)C)cc2)cc1 1865683015 CVNSXWWVVPVZHO-LJQANCHMSA-N 453.468 4.543 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1OC 1865695187 MFZNNDUIQNUEFA-LJQANCHMSA-N 470.451 4.825 50 10 JJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865712275 USDBPBVSMWJZBY-XMMPIXPASA-N 480.524 4.783 50 10 JJGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCNC(=O)[C@@H]2c2cn(C)c3ccccc23)n1 1868278249 XKIZBTDWHQKFMG-VWLOTQADSA-N 483.601 4.525 50 10 JJGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3cccc(OCc4ccc(F)cc4)c3)nc2c1 1872727604 NGHRZOHOMUUKJZ-YBFXNURJSA-N 455.445 4.904 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@](C)(=O)=NCC2(CBr)CCCCC2)C1 1877586856 CJLXVKVJDBLUGR-JUYBDXISSA-N 451.471 4.733 50 10 JJGE C[C@@H](Br)C[C@@H](C)CNC(=O)c1ccc(Br)cc1I 2086151732 RUXVETLEUSDRKQ-RKDXNWHRSA-N 488.989 4.593 50 10 JJGE O=S(=O)(c1cc(CBr)ccc1Cl)N1CCC[C@H](OCc2ccccc2)C1 2129813451 BVZQRZODAOPQFM-KRWDZBQOSA-N 458.805 4.605 50 10 JJGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC(Br)C1 2241637935 PWUPFRPWIJMXRO-PVWAMWICSA-N 485.422 4.982 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1CCCC[C@@H]1Br 2277961464 UMNZHSFHFYZFNT-STQMWFEESA-N 454.000 4.576 50 10 JJGE COc1cc(C=C(C#N)C(N)=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 2294175300 WSRAQZOJWBJBKZ-UHFFFAOYSA-N 456.123 4.736 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1[C@H]2CC[C@@H](C2)[C@H]1CBr 2295314040 SJFWGZQMIXPSOU-LEWSCRJBSA-N 466.011 4.529 50 10 JJGE COc1cc(C=C(C#N)c2ccccc2OC)ccc1OC(=O)CCCN1C(=O)c2ccccc2C1=O 2320506913 UPMIPJJDOPWINR-UHFFFAOYSA-N 496.519 4.750 50 10 JJGE COc1ccc(C=C(C#N)C(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)cc1 2329618007 RNUWRJTZHVSTAA-UHFFFAOYSA-N 457.486 4.510 50 10 JJGE O=C(c1sccc1I)N1[C@H]2CCCC[C@H]2C[C@@H]1CBr 2333975862 UAUOJNJJXNWXNP-UMNHJUIQSA-N 454.171 4.521 50 10 JJGE O=C(NCC(F)(F)C(F)(F)CI)c1cc(Br)c(Cl)s1 2336527080 MCKVMAZPOLRCOI-UHFFFAOYSA-N 494.473 4.599 50 10 JJGE O=S1(=O)CC[C@H]([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)C1 2337090097 IVIFFCGIIKLWAX-XUOSJQGZSA-N 454.970 4.719 50 10 JJGE FC(F)(F)[C@@H]1CN(Cc2cc(I)ccc2Cl)C[C@H]1CBr 2380518951 IFBPZHPMXOUYBC-MWLCHTKSSA-N 482.509 4.950 50 10 JJGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 14031605 UMAHTLTZRLKEIV-INIZCTEOSA-N 493.357 4.749 50 10 JJGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 14668061 BKZHGPAXWIRNMO-UHFFFAOYSA-N 483.362 4.743 50 10 JJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OC(C)C)cc1 14668068 FYOUYTRIIBJVTP-HNNXBMFYSA-N 463.372 4.590 50 10 JJGE O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)[C@H]1CC1(c1ccccc1)c1ccccc1 35113033 FRYBIOZEBCJIKX-RUDKWAFVSA-N 480.318 4.519 50 10 JJGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2OC)c1 38658950 ZABJWJRFOJJCNL-VWLOTQADSA-N 486.524 4.930 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OC)c(Br)c2)cc1 40970578 PRIXLOHFJSWLFA-PJBLTWOLSA-N 483.362 4.900 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)NC2CCC(Br)CC2)cc1Br 136788653 ZFIGWIPDAKVOMZ-UHFFFAOYSA-N 490.055 4.504 50 10 JJGE O=S(=O)(Nc1cccc(CBr)c1)c1cc(Br)ccc1Br 137116564 QNSAFWPDOKGZBA-UHFFFAOYSA-N 484.007 4.907 50 10 JJGE O=C(c1cc(Br)ccc1Br)N(CCBr)CC(F)(F)F 231580010 UHXZBWKFEBINGX-UHFFFAOYSA-N 467.905 4.611 50 10 JJGE O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)/C(=C\c1ccccc1)NC(=O)c1ccccc1 254380018 FOWCLWLRDSTESM-UQKCPXHGSA-N 480.480 4.776 50 10 JJGE C[C@@H](Br)C[C@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1Br 312867451 SCEVUJJPURMGSJ-MWLCHTKSSA-N 490.055 4.538 50 10 JJGE COc1cc(C)c(Br)cc1[C@H](Br)c1cnn(C)c1I 381895182 KLPGUXFECQBKRP-LBPRGKRZSA-N 499.972 4.589 50 10 JJGE CC(C)(C)C[C@@H](CBr)NS(=O)(=O)c1cc(Br)ccc1Br 393464313 BHCXKBNEBQUTBT-JTQLQIEISA-N 492.071 4.690 50 10 JJGE CCn1ccnc1COc1c(Br)cc(Br)cc1CBr 692650138 DLLAWVOVOYTHQR-UHFFFAOYSA-N 452.972 4.902 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccc(OC(F)(F)F)cc2)C1 725425037 NNDRVDWDMPIDIO-JSGCOSHPSA-N 471.257 4.971 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)NC[C@@H](c2ccco2)N2CCCC2)c(-c2ccc(Cl)cc2)n1 834677018 CFGHDRAWUCLMDF-WNPPMXKSSA-N 488.979 4.570 50 10 JJGE COc1cc(C=NNC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(Cl)cc1 1084574416 QBUOIDLOAYZUIM-UHFFFAOYSA-N 465.937 4.633 50 10 JJGE O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NN=Cc1c(O)ccc2ccccc12 1084592764 CCCHQXMUNKSLLX-UHFFFAOYSA-N 493.972 4.544 50 10 JJGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(O)cc2O)c1 1865681895 ZNRFRKWTEKDDJX-XMMPIXPASA-N 464.525 4.845 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccn1 1865700150 LWKWCJCJOLUPHR-AWEZNQCLSA-N 452.223 4.811 50 10 JJGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705028 KIDKKZPCSCWSPP-RUZDIDTESA-N 492.535 4.881 50 10 JJGE CCOc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1 1865759146 KRRKNPMVRKKOQX-UHFFFAOYSA-N 474.344 4.603 50 10 JJGE COc1ccccc1-c1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(C)n1 1865760422 WVJOEBQXMOQYDF-CQSZACIVSA-N 474.344 4.601 50 10 JJGE CC[C@](C)(NC(=O)c1cc(-c2ccc(C)c(C)c2)n(C)n1)C(=O)Nc1ccc(SC#N)cc1 1866829032 AXFSIIPICXOCSN-VWLOTQADSA-N 461.591 4.814 50 10 JJGE N#C/C(=C(/O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2ccc(F)cc2F)cs1 1872817972 GHXCUQUEPPKPIX-JXAWBTAJSA-N 459.861 4.960 50 10 JJGE CCCCCOc1ccccc1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1873794859 FDCSSMWYDNVDGJ-YXMXGMKXSA-N 453.583 4.842 50 10 JJGE BrCc1cc(Br)cc(Br)c1OC[C@]12CCOC[C@@H]1C2 1880394530 FAVAQRBBOCFIHU-IINYFYTJSA-N 454.984 4.912 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@@H]1[C@@H](CBr)NC(=O)OC(C)(C)C 1885098474 YZLKXTMTJDCTMD-XHSDSOJGSA-N 461.441 4.996 50 10 JJGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C[C@@H](Br)C1 1886113912 HCVUGDKTBDMMOQ-QPHKYOTMSA-N 485.422 4.982 50 10 JJGE O=C(NCC[C@H]1CCC[C@@H]1Br)c1ccc(I)c(Cl)c1 1913722111 UJGUBZRLHGIARL-KOLCDFICSA-N 456.549 4.628 50 10 JJGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 1955614545 POYGEPRYRFGYCR-NYVOZVTQSA-N 466.441 4.740 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CCC[C@](F)(CBr)C1 2039794903 NVJJIODHPZBELF-NSHDSACASA-N 463.992 4.612 50 10 JJGE O=C(N[C@@H](CBr)c1cscn1)c1cc(Br)c(Br)s1 2055479201 JWFBCJOCDHXMJJ-LURJTMIESA-N 475.025 4.596 50 10 JJGE O=C(c1csc(Br)c1Br)N1CC[C@H](Br)[C@H]2CC[C@@H]21 2069997774 WRFGQGONIPJZHC-YEPSODPASA-N 458.013 4.661 50 10 JJGE O=C(NC1CC([C@H](F)CBr)C1)c1scc(Br)c1Br 2078366026 CMDGHUOHLPRPNZ-NPWHJSNTSA-N 463.992 4.515 50 10 JJGE CC1(C)[C@H](CBr)CCN1C(=O)c1cccc(Br)c1Br 2095202774 RDOVMOYIWLXCCY-VIFPVBQESA-N 454.000 4.847 50 10 JJGE CC(C)(C)OC(=O)N1CC(C[S@](C)(=O)=NCC2(CBr)CCCCCC2)C1 2109490518 FNGINUXPCNJORU-SANMLTNESA-N 451.471 4.687 50 10 JJGE FC(F)(CBr)CCNc1ncc(C(F)(F)F)cc1I 2128186888 BHIFLXPUYALTFU-UHFFFAOYSA-N 458.994 4.537 50 10 JJGE O=C(NC[C@H]1CCC[C@H](Cl)C1)c1ccc(Br)cc1I 2142284562 DVAHBUFSVVFRJD-ONGXEEELSA-N 456.549 4.581 50 10 JJGE CC1(C)CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@@H]1CBr 2148662029 KBDCFSHBPXPAHU-QMMMGPOBSA-N 465.660 4.596 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2150493571 BLTONQWRXOLXBV-BREBYQMCSA-N 466.011 4.990 50 10 JJGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N1CC[C@@H](COCc2ccccc2)C1 2179861748 LZAFZRAJDOQBLI-QGZVFWFLSA-N 472.832 4.771 50 10 JJGE O=C(NC12CCC(CBr)(CC1)C2)c1ccc(I)c(Cl)c1 2189331092 KUHPLRSLWHZTED-UHFFFAOYSA-N 468.560 4.772 50 10 JJGE O=C(N[C@@H](CCl)[C@@H]1CC=CCC1)c1cc(Br)ccc1I 2196159360 GHRZULWJUAPQTJ-YGRLFVJLSA-N 468.560 4.747 50 10 JJGE O=C(NC[C@H]1C[C@@H](Br)C1)c1c[nH]c2cc(Br)c(Br)cc12 2196903088 JOBLWJJLMCJWDE-OCAPTIKFSA-N 464.983 4.596 50 10 JJGE C[C@@H](Br)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(I)c2)C1 2268346713 RBAOFOCRCVOTNL-MWLCHTKSSA-N 456.549 4.580 50 10 JJGE CC[C@H](Br)[C@H](CC)NC(=O)Cc1cc(Br)cc(Br)c1 2277934500 AENKGSWAYUVIHY-STQMWFEESA-N 456.016 4.822 50 10 JJGE CCc1ccc(OCCCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)cc1 2314759937 ARCVLJOWYDUZJO-UHFFFAOYSA-N 458.514 4.830 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H]2CC[C@H]1C[C@H]2Br 2315496252 CKMFQYZMGNIPIQ-BKPPORCPSA-N 458.013 4.661 50 10 JJGE CC(C)COc1c(Cl)cc(C=NNC(=O)c2cc(-c3ccccc3)nc(O)n2)cc1Cl 2323693773 UZLKCTHYQCTELQ-UHFFFAOYSA-N 459.333 4.955 50 10 JJGE CC(C)(CI)CN1CCC[C@H]([C@H]2CCCCN2C(=O)OC(C)(C)C)C1 2326671405 CZMQMBLYIQLAGB-DLBZAZTESA-N 464.432 4.949 50 10 JJGE CCCO[C@@H]1[C@@H](Br)C[C@H]1Oc1cc(Cl)c(C)cc1I 2336557292 WTVCJBNMSATQOO-CUOATXAZSA-N 459.549 4.963 50 10 JJGE Cn1nc(Br)c(Br)c1[C@@H](Br)Cc1ccc(F)c(F)c1 2338864739 XUILPGDPJJCFRH-ZETCQYMHSA-N 458.926 4.902 50 10 JJGE CS(=O)(=O)c1csc([C@H](Br)c2ccc(Cl)cc2I)c1 2340066215 PLCSCSMDIICRGH-GFCCVEGCSA-N 491.597 4.894 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OC 6906079 NGNUONPCIMRSNQ-WZUFQYTHSA-N 466.675 4.574 50 10 JJGE C/C(=N/NC(=O)COc1c(C)cc(Br)cc1Br)c1ccc(C)cc1 12483271 IDGXYQCKUBTKKH-BKUYFWCQSA-N 454.162 4.748 50 10 JJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1 14644427 AVCFIYKFYCCQRD-UONOGXRCSA-N 483.790 4.610 50 10 JJGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(Cl)cc2)c(OCC)c1 33378295 TUMFPLPBONIHGQ-JXAWBTAJSA-N 457.910 4.973 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)c1OC 38659016 AGQXQRUDXYGRTN-DEOSSOPVSA-N 476.916 4.723 50 10 JJGE CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 40882643 YMAJBDXCYSQOEQ-KNTRCKAVSA-N 452.466 4.789 50 10 JJGE CCCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc1 40910490 MBHVGQQZCDVTIX-SRZZPIQSSA-N 470.161 4.530 50 10 JJGE COc1ccc(OC)c(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)c1 40910803 IRMSPUQJAKUFTB-AFUMVMLFSA-N 469.335 4.662 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)NCC2(CCl)CCCC2)cc1Br 160428163 PGNRBOOWKUCUOD-UHFFFAOYSA-N 459.631 4.598 50 10 JJGE CCOC(=O)c1cnn(-c2cc(C)c3cc(C)cc(C)c3n2)c1NC(=O)[C@@H](Br)CC 170509194 WQWAUKBGDPOISJ-KRWDZBQOSA-N 473.371 4.634 50 10 JJGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(N)=O)cc2OC)ccc1OCc1ccccc1C 206508867 RSSFKUGBCAYAKJ-LHVHFQOESA-N 498.535 4.602 50 10 JJGE C[C@@H](Br)[C@@H]1CCCN(C(=O)c2scc(Br)c2Br)C1 689024898 CJSRWLYEVZFZCT-HTQZYQBOSA-N 460.029 4.909 50 10 JJGE CN(C[C@@H]1CCC[C@H]1Br)C(=O)c1cc(Br)sc1Br 689296788 BIQHNTRSPNZDNE-IONNQARKSA-N 460.029 4.909 50 10 JJGE Cc1cccc(C(=O)N[C@H]2C[C@@H](Br)CC(C)(C)C2)c1I 693893058 MWRUBNAUGGFQLG-NEPJUHHUSA-N 450.158 4.672 50 10 JJGE BrCc1cc(Br)cc(Br)c1OCC1=CSC2=NCCN12 699166965 IYHNPFPKIZDEBF-UHFFFAOYSA-N 483.023 4.745 50 10 JJGE COC(=O)c1sc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1C 818070717 BUJGTSQNHIKRPX-LFIBNONCSA-N 479.949 4.819 50 10 JJGE O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NN=Cc1c(Cl)cccc1Cl 1084184821 UDFJAPBEUAYFFR-UHFFFAOYSA-N 496.803 4.992 50 10 JJGE C/C(=C/c1c(Cl)cccc1Cl)C(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 1596867095 UKMQENHJKUQQRP-KTKRTIGZSA-N 453.269 4.834 50 10 JJGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1 1865691130 KBOXYWSHBZEHBV-IBGZPJMESA-N 452.436 4.733 50 10 JJGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)cc2C1=O 1872752802 SPNOTQVYGAAYFF-ZZUBKFDBSA-N 473.510 4.883 50 10 JJGE C[C@@H](NC(=O)c1cc(Br)sc1Br)c1nnc(CBr)s1 1877559113 VKKJFDRWYRQSJS-SCSAIBSYSA-N 490.040 4.511 50 10 JJGE C[C@H](Br)[C@@H](NC(=O)c1cccc(Br)c1Br)C(F)(F)F 1882640662 VNIIASSYUABOOV-SSDLBLMSSA-N 467.905 4.656 50 10 JJGE CC[C@@H]1CN(C(=O)[C@H](Br)C2CCCC2)[C@H](CC)CN1C(=O)OCc1ccccc1 2110715340 MLALJZAXPFKMPY-NJDAHSKKSA-N 465.432 4.978 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@H](Br)[C@H]2CC[C@H]21 2133723442 PPXMQKYXOGBHHL-FRRDWIJNSA-N 451.984 4.600 50 10 JJGE O=C(N[C@@H](CCl)c1cccs1)c1ccc(Br)cc1I 2142290448 BQWDXZUYODAPDK-NSHDSACASA-N 470.557 4.825 50 10 JJGE CN1CCC(N(Cc2ccccc2)S(=O)(=O)c2ccc(CBr)cc2Cl)CC1 2179792987 NFZXCEUTZLCHAT-UHFFFAOYSA-N 471.848 4.520 50 10 JJGE Cc1cc(Br)sc1CN(C)S(=O)(=O)c1ccsc1CBr 2179868456 KVHJXQZMEIBVEM-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE Cc1nccc2c1nc(CCl)n2-c1ccc(Br)c(I)c1 2183320896 UCBZERSFHRRYKQ-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE CC1(C)C[C@H](NC(=O)c2ccc(Br)cc2I)C[C@H](Cl)C1 2207270675 CVGMPFRQEXRMSF-WDEREUQCSA-N 470.576 4.970 50 10 JJGE F[C@H](COc1c(Br)cc(CBr)cc1Br)[C@@H]1CCOC1 2229950526 ULZMXXGBHMBKCN-BXKDBHETSA-N 460.963 4.860 50 10 JJGE COc1ccc([C@H](CI)OC2CCN(Cc3ccccc3)CC2)cc1 2259465593 WJOJBZOWLQWSSY-NRFANRHFSA-N 451.348 4.853 50 10 JJGE O=C(NC[C@H]1CCC[C@@H](CBr)C1)c1ccc(Cl)c(I)c1 2283651256 DWJRRYJDGBJWCW-MNOVXSKESA-N 470.576 4.876 50 10 JJGE CCCN(CC(C)(C)CI)C1CCC(NC(=O)OC(C)(C)C)CC1 2306818959 PLSHPMGVRQOSHQ-UHFFFAOYSA-N 452.421 4.996 50 10 JJGE CCOc1cc(C=C2C(=O)N(CC)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314611265 RVEYARWTHLXBCV-UHFFFAOYSA-N 450.922 4.930 50 10 JJGE CC(C)(C)c1ccc(Cn2cccc(C(=O)NN=Cc3cccc(C(F)(F)F)c3)c2=O)cc1 2323659414 ODMIHHSAKRATOH-UHFFFAOYSA-N 455.480 4.977 50 10 JJGE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3cccc(Cl)c3)sc2c1 2329687555 VTPDLPKWIKCDID-UHFFFAOYSA-N 499.017 4.858 50 10 JJGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1ccc(Br)cc1Br 2330901134 KTLROQJDTLXZQA-NIUIZCCNSA-N 451.984 4.503 50 10 JJGE O=C(N[C@H]1CCCCC[C@@H]1Br)c1ccc(Cl)cc1I 2340054085 JALSIOBMZSPIOW-AAEUAGOBSA-N 456.549 4.771 50 10 JJGE C[C@@]1(CBr)CCCCN1C(=O)c1ccc(Cl)cc1I 2340059237 VJWGRHNXPHACFJ-AWEZNQCLSA-N 456.549 4.724 50 10 JJGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1ccc(Cl)c(F)c1Cl 2343414555 PIIJNYUKCSXWKV-CYBMUJFWSA-N 485.202 4.781 50 10 JJGE C[C@@H](Br)CN(C1CCCC1)S(=O)(=O)c1cc(Cl)c(Br)s1 2368871691 WECZCWIRTTXEIF-MRVPVSSYSA-N 465.660 4.881 50 10 JJGE CN(CC1CC(Br)C1)[C@](C)(C(=O)O)c1cc(Br)c(Br)s1 2374320093 MZIKGLKYFMHVGQ-ROKYYSGWSA-N 490.055 4.678 50 10 JJGE O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1OCCc1ccccc1 10508981 IIAVYPINYHRTEB-UHFFFAOYSA-N 450.538 4.901 50 10 JJGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)c1 12489230 SOHTUIUCSPHENN-UHFFFAOYSA-N 477.399 4.610 50 10 JJGE O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1sc2ccccc2c1Cl 12502489 AWOICUSVTREFHN-UHFFFAOYSA-N 488.805 4.576 50 10 JJGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 14644273 JCXAFLUOMJFVKC-HNNXBMFYSA-N 487.781 4.849 50 10 JJGE COc1nc(Oc2cccc(/C=C(/C#N)c3nc4cc(C)ccc4[nH]3)c2)nc(N2CCCCC2)n1 33926523 IFJXQUYLUUFWJZ-RGEXLXHISA-N 467.533 4.912 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1 38685667 VQMGNGJXTLJSII-VWLOTQADSA-N 476.916 4.941 50 10 JJGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)c1 40529827 GVQVWMBHPCBCAH-DEOSSOPVSA-N 469.453 4.597 50 10 JJGE Cc1c(C(=O)NCc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825817 WTLCEUNPPGARAH-MWAVMZGNSA-N 452.514 4.537 50 10 JJGE CC(C)c1ccc(OCC(=O)N/N=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1 40840344 CGNVJXYSVPBYIV-GNVQSUKOSA-N 461.949 4.910 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(Cl)cc1 40925709 GJLOOTRRPBBJQP-LDADJPATSA-N 450.878 4.774 50 10 JJGE COc1ccc(/C(C)=N/NC(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c(OC)c1 97729918 DAZBBGHBPFOHBI-JFLMPSFJSA-N 451.910 4.764 50 10 JJGE CC(CBr)(CBr)NC(=O)c1ccc(Br)c(C(F)(F)F)c1 126489475 UYAKRFQBPJNXOI-UHFFFAOYSA-N 481.932 4.746 50 10 JJGE CCOc1ccc(NS(=O)(=O)c2sccc2Br)cc1CBr 136542476 LHWIZWFYLMBISN-UHFFFAOYSA-N 455.193 4.605 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2Br)cc1Br 136948822 CUAHMNPUNZGMLT-BXKDBHETSA-N 490.055 4.504 50 10 JJGE C[C@@H](NC(=O)/C(C#N)=C\NCCc1cccc(Br)c1)c1ccc2c(c1)CCCC2 217204844 WQBSTPBLAMIYMP-VULIGXMUSA-N 452.396 4.745 50 10 JJGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C[C@@H]1CN(Cc2ccccc2)CCO1 312630805 MJOVXGMNVWOHNO-QAPCUYQASA-N 495.792 4.842 50 10 JJGE CC[C@@H](C[C@H](C)Br)NC(=O)c1cc(Br)ccc1I 716936019 DGFGMNDXVSOLOW-WPRPVWTQSA-N 488.989 4.736 50 10 JJGE C[C@@H](Cl)[C@H]1CCCN(C(=O)c2ccc(I)c(Br)c2)C1 721505462 AZMZLAJZVHOIGO-KOLCDFICSA-N 456.549 4.533 50 10 JJGE CC[C@H](Br)[C@H](CC)NC(=O)c1ccc(I)c(Br)c1 721606696 XAUYJJQIGFCFIM-CABZTGNLSA-N 488.989 4.736 50 10 JJGE BrCC(CBr)(CCO[C@H]1CCOC1)c1ccccc1Br 724986287 PWJNERYJWMVPHH-LBPRGKRZSA-N 471.027 4.672 50 10 JJGE COc1ccc(C(=O)NNC(=O)N[C@@H](c2ccc(C(C)C)cc2)c2cccs2)cc1OC 913635822 IBALHXSVFVIYIE-QFIPXVFZSA-N 453.564 4.622 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)c(-c2ccccc2)n1 914471447 BKPWXVMQVVVBGB-BTUGVJQXSA-N 467.529 4.567 50 10 JJGE O=C(NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1Br 1084121901 AQPUXEPRSOVLKU-UHFFFAOYSA-N 454.280 4.700 50 10 JJGE C#CCOc1ccc(Br)c(C=NNC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 1084262622 VLNOXAJHRHPOQE-MRXNPFEDSA-N 451.320 4.532 50 10 JJGE Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)NNC(=O)c1ccc(Br)cc1 1326747161 ZBVZBROJCHRWSF-LBPRGKRZSA-N 477.359 4.725 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)cc(Br)c1O 1865688124 KCDGJIOPEDJLSE-GOSISDBHSA-N 481.350 4.655 50 10 JJGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696448 NFLNYOZYXIOPRE-IBGZPJMESA-N 485.769 4.833 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)c1OC 1865700819 FAWWGSHJCZOWGW-QHCPKHFHSA-N 482.515 4.973 50 10 JJGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(Br)cc1 1865703985 KCXGELJEKYXIFW-OAQYLSRUSA-N 465.351 4.950 50 10 JJGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 1865709135 ORFKYWRRPFXLBE-HXUWFJFHSA-N 483.355 4.805 50 10 JJGE CC(C)NCc1cc(Br)cc(Br)c1OC[C@H]1C[C@H]1Br 1887832121 AEHJFZVXZZSTIF-ZYHUDNBSSA-N 456.016 4.872 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)Cc1c(Cl)ccc(Br)c1F 1905315129 VOULBJFMTCARMR-VIFPVBQESA-N 475.539 4.844 50 10 JJGE Cc1cc(Br)ccc1S(=O)(=O)N(Cc1ccccc1)[C@H](C)CBr 1995133181 YLNGUEBHSHDVKN-CQSZACIVSA-N 461.219 4.732 50 10 JJGE C[C@@H](Br)C[C@H]1CCCN1c1ncc(I)cc1Br 2015757423 TWRAXYUWEVDXQS-PSASIEDQSA-N 473.978 4.591 50 10 JJGE Cc1ccc(COc2c(Br)cc(Br)cc2CBr)nn1 2089437567 GOPHWFKHCISVHJ-UHFFFAOYSA-N 450.956 4.784 50 10 JJGE FC1(F)[C@@H]2CC[C@H]([C@H](Br)c3cc(I)cc4c3OCC4)[C@@H]21 2158333463 ONLFPLBEHFCXRU-RYDUCSDGSA-N 455.080 4.953 50 10 JJGE CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1CNC(=O)[C@H](Br)C1CCCC1 2194002176 FRFHYCIFGWCKHI-NVXWUHKLSA-N 457.434 4.652 50 10 JJGE Cl[C@@H]1CCC[C@H]2CN(c3ncc(I)cc3Br)CC[C@H]12 2225494534 ZKXHFQAWMOISEX-XHVZSJERSA-N 455.565 4.683 50 10 JJGE Cc1ccc(C(=O)NCC2CCC(CBr)CC2)cc1I 2232823241 JXOMRTOYDLKRSK-UHFFFAOYSA-N 450.158 4.531 50 10 JJGE Cc1c(Br)cnc2c1nc(CCCl)n2C[C@@H]1CC1(Br)Br 2233041480 UAINNMSYXBCDPO-QMMMGPOBSA-N 486.433 4.790 50 10 JJGE Cn1nc(Br)c([C@H](Br)c2ccc(Br)c3ccccc23)n1 2235270880 WWXQZOOMCPMIGP-GFCCVEGCSA-N 459.967 4.978 50 10 JJGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1CC(Br)C1 2241638077 SETINJWEUUNPLY-UHFFFAOYSA-N 471.395 4.593 50 10 JJGE C=CC[C@@]1(CCl)CCCN(c2ncc(I)cc2Br)C1 2272106904 WIDLRSSRQNTEJF-AWEZNQCLSA-N 455.565 4.850 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C(F)(F)F)CCN1CC1(CBr)CC(F)C1 2280358286 AFJAPFBIBVCXHZ-XCCIUEIHSA-N 461.338 4.667 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@]2(CCC[C@H]2Br)C1 2283664133 WRXSGHGPYVOYNB-UKRRQHHQSA-N 468.560 4.724 50 10 JJGE COc1ccc([C@H](Br)[C@@H]2OCC[C@H]2C(F)(F)F)cc1I 2285010628 OURDURSJHKEHIU-JFUSQASVSA-N 465.047 4.703 50 10 JJGE CN(C[C@H](Cl)COCc1ccccc1)C(=O)c1ccc(Cl)cc1I 2301796836 PTSDKMWYOXYDNC-HNNXBMFYSA-N 478.157 4.841 50 10 JJGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc(N(C)C)cc2)cc1OC 2313511343 DZSQBBQXQGBECD-UHFFFAOYSA-N 456.340 4.634 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1Cl 2314755127 URAHTJAXAZBMRF-UHFFFAOYSA-N 480.904 4.539 50 10 JJGE Clc1cc(I)c([C@H](Br)[C@H]2COC3(CCC3)CO2)s1 2316793183 WCGIAXYSYVLMCX-PSASIEDQSA-N 463.562 4.780 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCC2CCC(C(F)(F)F)CC2)C1 2327996752 RJDOKAIYFCKEOD-NWINJMCUSA-N 477.305 4.795 50 10 JJGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1cc(Br)cc2c1OCC2 2364063926 MWARGSOCXBYROO-JTQLQIEISA-N 485.401 4.971 50 10 JJGE CC(C)[C@@H](Br)C(C)(C)CN(C)C(=O)c1ccccc1I 2365991903 STUFMCPYMOXACN-CQSZACIVSA-N 452.174 4.809 50 10 JJGE Cc1ccc(NC(=S)NNC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)cc1Cl 20664028 KDVXRGJOAWGFQP-UHFFFAOYSA-N 461.975 4.568 50 10 JJGE CC1=C(C(=O)OC(C)C)[C@H](c2cccc(NC(=O)[C@@H](Cl)c3ccccc3)c2)NC(=O)N1C 35707611 CCCFPMSDKMHRJV-SFTDATJTSA-N 455.942 4.527 50 10 JJGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1 38677294 TWQOXEQJNOVJCU-LMKMVOKYSA-N 458.489 4.979 50 10 JJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)c1 38688758 HMSNLDBRRYQXJI-XMMPIXPASA-N 492.915 4.803 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 58893139 SUMWBGLGOUWAQD-RWFYVVHNSA-N 471.897 4.871 50 10 JJGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)C1=O 101333066 RWCKJTAMCZHGGO-HZHRSRAPSA-N 481.512 4.840 50 10 JJGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCCCS2(=O)=O)cc1Br 169106122 CMVNRMWFCPURSH-STQMWFEESA-N 475.040 4.923 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H](Br)C1)c1cc(Br)ccc1Br 227756808 SKTIOSXJHOAYKL-NXEZZACHSA-N 454.000 4.895 50 10 JJGE CCN(CC)c1oc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)cc1Sc1ccccc1[N+](=O)[O-] 254835524 BGHSVBLTWHOTQV-UHFFFAOYSA-N 483.506 4.857 50 10 JJGE O=S(=O)(Nc1cc(I)ccc1Br)c1ccccc1CCl 312462948 SWMOHEXWWPPVDA-UHFFFAOYSA-N 486.556 4.593 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2cc(Br)ccc2O)C1 382711596 HKWKEKMUYPZSAG-RHSMWYFYSA-N 469.173 4.902 50 10 JJGE CN(C[C@H]1CCC[C@H]1Br)C(=O)c1ccc(Br)cc1Br 689218070 KZFQGJOQASBOQG-BXKDBHETSA-N 454.000 4.847 50 10 JJGE Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1 729344382 GDMBHZMANPAPFO-INKLHFNDSA-N 467.529 4.558 50 10 JJGE COc1ccc(OC)c(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c1 1084190960 AOBVASKZLYMBGG-UHFFFAOYSA-N 489.359 4.507 50 10 JJGE CC(C)(C)c1cc(C=NNC(=O)CSCC(=O)Nc2ccccc2)cc(C(C)(C)C)c1O 1084634659 YSXZSVCMANNJLV-UHFFFAOYSA-N 455.624 4.809 50 10 JJGE C=CCn1ncc2ccc(NC(=O)NNC(=O)c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)cc21 1311251691 GONFFRNYLWDWBM-QGZVFWFLSA-N 451.596 4.901 50 10 JJGE CC(=O)c1ccc(OCCCC(=O)NNc2cccc(OC(F)F)c2Br)cc1 1471768898 CQHOUCFWHGHGPL-UHFFFAOYSA-N 457.271 4.555 50 10 JJGE COc1cc(C(=O)NNc2ccc(OCCOc3ccccc3Cl)cc2)cc(OC)c1OC 1858080775 UAVMYZNGWLDDOY-UHFFFAOYSA-N 472.925 4.581 50 10 JJGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1cccc(OC)c1OCC 1865693414 ODERCJDLFANWIX-NRFANRHFSA-N 460.534 4.594 50 10 JJGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)CC1=O 1872749845 KHLFSNOQLQBFGU-PDNPPFGYSA-N 477.517 4.890 50 10 JJGE C[C@H]([C@H](Br)c1cc(Br)ccc1OCc1ccccc1)S(C)(=O)=O 1899891448 GKAMNWTVKXTTFD-PXAZEXFGSA-N 462.203 4.897 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@H](Br)[C@@H]1C1CC1 2067016643 MYZGOHVANSYKGU-XCBNKYQSSA-N 458.013 4.661 50 10 JJGE CC1(C)CC[C@H](Br)CN1C(=O)c1ccc(I)c(Cl)c1 2099877541 CSIGDSWZTOMPGE-JTQLQIEISA-N 456.549 4.723 50 10 JJGE CC[C@@]1(NC(=O)c2ccc(CBr)cc2)CCCN(C(=O)OCc2ccccc2)C1 2106200728 HZJPVANRUSHVTN-HSZRJFAPSA-N 459.384 4.893 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2154105099 ASIMKHBJIRBBOR-ZKYQVNSYSA-N 468.560 4.865 50 10 JJGE O=C(NC[C@@]1(CBr)CC12CCC2)c1ccc(Br)cc1Br 2154204861 PHULIUILLHAPTI-HNNXBMFYSA-N 466.011 4.897 50 10 JJGE CN(CCN(C[C@H](CBr)c1ccccc1)CC(F)(F)F)C(=O)OC(C)(C)C 2163058896 OOLBBJZEZBWVNZ-INIZCTEOSA-N 453.343 4.896 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@@H](C(F)(F)CBr)C1 2197763951 QNXWXXLECNDNRS-SECBINFHSA-N 475.953 4.704 50 10 JJGE CC[C@@H](C)[C@@H](CBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 2201195690 LVWGWOKUCMOAKW-PRHODGIISA-N 492.071 4.608 50 10 JJGE C[C@@H](CC1CCN(CCCCCI)CC1)N(C)C(=O)OC(C)(C)C 2214705831 WTBJFCGTEOAZSJ-INIZCTEOSA-N 452.421 4.949 50 10 JJGE O=C(N[C@H]1CC[C@@H](CBr)CC1)c1ccc(Cl)c(I)c1 2268356698 HMVBBRNSPMYCIX-JGZJWPJOSA-N 456.549 4.628 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CCC[C@@H]1CCCBr 2268356766 HWBQMROBGXEVEL-NSHDSACASA-N 456.549 4.724 50 10 JJGE CNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1 2293039153 JITLXYAZKPYJAQ-KRWDZBQOSA-N 466.777 4.819 50 10 JJGE C[C@H]1[C@@H](Br)C[C@@H](C)CN1C(=O)Cc1cc(Br)cc(Br)c1 2295312880 BYWPSAMACXBBRJ-BFVZDQMLSA-N 468.027 4.775 50 10 JJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2cccnc2)cc1C 2296728748 MAUZMLVRUXQEQQ-UHFFFAOYSA-N 463.541 4.865 50 10 JJGE Cn1nc(Br)c(Br)c1C(=O)N(Cc1ccccc1)[C@@H](CCl)C1CC1 2301120395 HGWPJPPTCFLAOZ-ZDUSSCGKSA-N 475.612 4.605 50 10 JJGE N#CC(=Cc1ccc(OCc2ccc3c(c2)OCO3)cc1)C(=O)NCCc1c[nH]c2ccccc12 2313556522 BUPAGAHGLMDOIZ-UHFFFAOYSA-N 465.509 4.741 50 10 JJGE CC(C)Oc1ccc(C=NNC(=O)c2cccn(Cc3ccc(Cl)c(Cl)c3)c2=O)cc1 2323651846 LGOCZZNUJJFGEG-UHFFFAOYSA-N 458.345 4.755 50 10 JJGE CC(F)(F)C[C@@H](CCl)NCc1ccc(I)c(Br)c1 2325204099 LDRGLXZNJBVLBJ-VIFPVBQESA-N 452.508 4.796 50 10 JJGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1cccc(Br)c1 2325408254 QKWDQPQSRXSSAH-UHFFFAOYSA-N 482.119 4.820 50 10 JJGE O=C(N[C@@H]1C[C@@H](CBr)C12CCC2)c1cc(Br)sc1Br 2351630923 FYWGAQKEYDKUJH-IONNQARKSA-N 472.040 4.957 50 10 JJGE CC(C)(C)OC(=O)NC1CC(C[S@@](C)(=O)=NC[C@@](C)(CBr)C(C)(C)C)C1 2352114875 BLSXZARPGIKQTK-DRHPXXQESA-N 453.487 4.835 50 10 JJGE CN(CC[C@@H](Br)c1cccs1)C(=O)c1ccc(I)cc1 2366217461 MDRUPJPLWCMHBV-CYBMUJFWSA-N 464.166 4.951 50 10 JJGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)cc1OC 31901086 GXDHTSPFLXHJOD-PGMHBOJBSA-N 496.519 4.750 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OCCOc1ccc(Cl)c(C)c1 33594935 BGBGJUVHVVWEPA-UYRXBGFRSA-N 466.921 4.931 50 10 JJGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc(OC)c1OC 38651343 XSASFUFRSXDVBT-HSZRJFAPSA-N 492.915 4.803 50 10 JJGE Cc1c(C(=O)NCCc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811783 CGGCDIPSIBKTTM-VFCFBJKWSA-N 494.389 4.793 50 10 JJGE COc1cc(N/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C(C)=O)cc1OC 102421750 SHALIACKIFAPGS-PTNGSMBKSA-N 450.476 4.915 50 10 JJGE COc1cc(/C=N\NC(=O)c2ccccc2Cl)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 169886083 GGMGQQMFSSJDHZ-MXAYSNPKSA-N 453.882 4.908 50 10 JJGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 217234249 ZZACDZPRTQASSZ-LUAWRHEFSA-N 482.665 4.619 50 10 JJGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc3c(c2)OCO3)c1 254854432 ONXNPAUXCFPQCJ-UHFFFAOYSA-N 452.466 4.860 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cc(Cl)ccc2O)C1 382696842 LDKOVUCPAZPMCC-RHSMWYFYSA-N 471.722 4.833 50 10 JJGE CC(C)(C)[C@H](CBr)NC(=O)c1cc(Br)ccc1I 393957976 MNHYAXUBPCQGKJ-NSHDSACASA-N 488.989 4.593 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2ccccc2S)[C@@H](CI)C1 394745155 ZIWOYIWYAOYTLK-RDJZCZTQSA-N 453.345 4.763 50 10 JJGE CC1(CBr)CCN(C(=O)c2ccc(Br)cc2Br)CC1 401535249 KFZBJHYFNAHOKP-UHFFFAOYSA-N 454.000 4.849 50 10 JJGE FC(F)(F)Oc1cc(Br)c(I)c(CBr)c1 575695495 OWTZRAZCBQOIKR-UHFFFAOYSA-N 459.825 4.847 50 10 JJGE C[C@H]1C[C@H](CBr)CN(C(=O)c2scc(Br)c2Br)C1 705463443 JFEDSZNXDIJSNU-JGVFFNPUSA-N 460.029 4.766 50 10 JJGE BrCCOCCOc1c(Br)cc(Br)cc1Br 716365631 LHVJQTUAUMRKAJ-UHFFFAOYSA-N 481.804 4.764 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)[C@H](C)SCc3ccccc3)cc2)cc1 1084420995 LLIRKZJJWQLXFU-IBGZPJMESA-N 468.600 4.535 50 10 JJGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(N(C)C)cc1)C(C#N)=C(N)O2 1865683569 MRKWXYLEKCKYPJ-OAQYLSRUSA-N 451.933 4.570 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1OC 1865694915 FNQWXDMQTQZBKZ-HXUWFJFHSA-N 484.478 4.884 50 10 JJGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)cc1OC 1865696224 YOZPHLFOOJKGFF-VWLOTQADSA-N 474.561 4.985 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCN(Cc2ccccc2)CC1(C)C 1985346836 ITGBIPDROBYZAU-HXUWFJFHSA-N 453.718 4.783 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 1985347761 YHLKULLKXMHLPE-DLBZAZTESA-N 463.710 4.566 50 10 JJGE C[C@@H]1CC[C@](CBr)(NC(=O)c2cc(Br)sc2Br)C1 2074212909 REKVDDJWQXOGER-KRTXAFLBSA-N 460.029 4.957 50 10 JJGE CC[C@@H](CCBr)CNC(=O)c1ccc(Br)cc1I 2086146790 FHMWVPILHWWALU-VIFPVBQESA-N 488.989 4.595 50 10 JJGE CC(C)(C)OC(=O)N1CC[C@H]([S@@](C)(=O)=NCC2(CBr)CCCCCC2)C1 2106786756 VXBOOBDOGNEHQS-YHAMSUFESA-N 451.471 4.829 50 10 JJGE Cc1cccc(C(=O)N[C@@H](C)CCCCCI)c1I 2117895883 VYPRPZCGHPLZIB-LBPRGKRZSA-N 485.147 4.713 50 10 JJGE CC(C)C[C@H](CBr)CNC(=O)c1cccc(Br)c1Br 2120738356 UXJJVLSYXIPCFI-SNVBAGLBSA-N 456.016 4.999 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@H](Br)[C@H]1C1CC1 2130610992 IXLUZBRYQHZYFO-QWHCGFSZSA-N 451.984 4.600 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H](CBr)[C@@H](C(F)(F)F)C1 2163354540 ZJKBECMZNCNDAJ-RITPCOANSA-N 499.972 4.919 50 10 JJGE Cn1nc(Br)c([C@@H](Br)Cc2ccc(Br)cc2Cl)n1 2221699519 JBINRIGKOHTXTD-QMMMGPOBSA-N 458.379 4.672 50 10 JJGE O=C(NC[C@]1(CBr)CC12CCC2)c1ccc(Cl)c(I)c1 2283659335 IJCHRDLCFDNCTD-OAHLLOKOSA-N 468.560 4.630 50 10 JJGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2COCCO2)c1Br 2315448978 JBQJVWCRGQSNNB-VXNVDRBHSA-N 467.354 4.856 50 10 JJGE COc1cc(C=NNC(=O)Cc2ccc(O)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 2323341191 DHGJTBMXLOFZLZ-UHFFFAOYSA-N 459.329 4.979 50 10 JJGE N#CC(=Cc1cccc(Br)c1)C(=O)Nc1ccc(I)cc1 2329697748 LDONUPDVPLVPPS-UHFFFAOYSA-N 453.077 4.599 50 10 JJGE COC(=O)c1ccc(C(C#N)=Cc2ccc(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)o1 2331048525 UXGNMDSGSHOUSR-UHFFFAOYSA-N 460.486 4.773 50 10 JJGE CC(C)[C@H](Br)C(C)(C)NS(=O)(=O)c1cc(Cl)c(Br)s1 2340406718 LUMGYUDATNZSRF-VIFPVBQESA-N 453.649 4.640 50 10 JJGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1cc(F)c(F)c(F)c1F 2364062739 BQACZOYJWVOBFD-YFKPBYRVSA-N 480.879 4.986 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CC[C@H](CBr)C12CCC2 2365595237 HYZMPCGGVMKFTR-SNVBAGLBSA-N 468.560 4.724 50 10 JJGE COc1ccccc1N[C@@H](C)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1 8683136 BPRUALHCBVHCOB-AEIQVQRHSA-N 482.378 4.987 50 10 JJGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)c2sc3ccccc3c2Cl)cc1 14022095 NCLRQVFVYJKWSN-UHFFFAOYSA-N 476.023 4.929 50 10 JJGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 14644491 BOFYIYOFAJOEAD-ZIAGYGMSSA-N 491.769 4.638 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1 21315786 BSPMCHAADGSEHO-NCELDCMTSA-N 467.569 4.920 50 10 JJGE O=C(NNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1cccc([N+](=O)[O-])c1 33809159 AWGXCNHPAVTSHP-UHFFFAOYSA-N 489.491 4.947 50 10 JJGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 38654123 HXIVBESTFRBGSZ-SANMLTNESA-N 485.496 4.921 50 10 JJGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)c1C 40814544 RNQBQZOYUPBNEN-SGWCAAJKSA-N 474.517 4.765 50 10 JJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C)cc2C(C)(C)C)c(OC)c1 40853103 AUOVZWGGWSHESR-CPNJWEJPSA-N 451.519 4.756 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccccc1 40934938 MLJJNSWMKWCPCE-LTGZKZEYSA-N 474.513 4.666 50 10 JJGE CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc(Br)c1O 40961569 JMSMXUCPMGDUKN-FIKYGGOLSA-N 463.372 4.769 50 10 JJGE O=C(NC[C@H]1CCC[C@@H](Br)C1)c1cc(Br)sc1Br 227759345 SCJLAALYINXGRK-JGVFFNPUSA-N 460.029 4.957 50 10 JJGE CC[C@@H](Br)c1nnc(-c2cc(Br)ccc2I)o1 233823908 ZDMPNIZNNAVPLL-MRVPVSSYSA-N 471.918 4.950 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C)c(C)c3)cc2OCC)cc1 254606820 DWKNRLAETMPOIN-UHFFFAOYSA-N 490.556 4.849 50 10 JJGE CCOc1cc(C=NNC(=O)c2ccncc2)ccc1OCCOc1ccc(C(C)(C)C)cc1 254841463 RWWRKYPCZFVQSR-UHFFFAOYSA-N 461.562 5.000 50 10 JJGE CC(C)C(=O)[C@@H](Br)Cc1cc(I)ccc1Br 300885318 AIMLKVJDYSIIJB-NSHDSACASA-N 459.947 4.585 50 10 JJGE BrCc1cc(Br)c(OCO[C@@H]2CCCOC2)c(Br)c1 394020218 BHJBPOBYNIVBGU-SNVBAGLBSA-N 458.972 4.638 50 10 JJGE CC[C@@H](Br)CCCNC(=O)c1cc(Br)ccc1I 398529508 BFORDPAGCWNMIL-SECBINFHSA-N 488.989 4.737 50 10 JJGE O=C(NC1(CBr)CCCCCC1)c1ccc(F)cc1I 713490528 RITWTQPKRBIHBV-UHFFFAOYSA-N 454.121 4.648 50 10 JJGE Cc1ccccc1NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 782092139 COHNJCBNTLKGBR-OFBHVFLISA-N 487.947 4.903 50 10 JJGE COc1ccc2ccccc2c1CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 914470990 FSOAVJTYTANXBJ-JWGURIENSA-N 461.525 4.849 50 10 JJGE CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NN=Cc2cccc(Cl)c2)cc1 1084357462 QHVBSJFYHWQYSQ-UHFFFAOYSA-N 476.385 4.724 50 10 JJGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744138 QQTPRXVHPUSERU-UHFFFAOYSA-N 483.484 4.767 50 10 JJGE CC(C)c1cc(Br)ccc1OCC(=O)NN=Cc1cccc(Br)c1 1772755788 SFRNWZXSIQLXRN-UHFFFAOYSA-N 454.162 4.864 50 10 JJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865687197 LSTUTCBUAFQLTK-XMMPIXPASA-N 480.524 4.789 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(F)cc1F 1865702423 VJROLVTYLSOCNM-MRXNPFEDSA-N 450.342 4.586 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC)ccc1OCc1ccccc1C 1865705400 UVCKVUTXSMHNJX-DEOSSOPVSA-N 458.562 4.970 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc(Br)cc1 1865714836 REYRIKHJIKFKEL-HNNXBMFYSA-N 461.241 4.872 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1C 1872746747 WICCYYGHWXDXEJ-VZCXRCSSSA-N 459.527 4.996 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@]2(CCC[C@H]2Cl)C1 1918933487 GVKUFUZGLNFWIC-HIFRSBDPSA-N 468.560 4.677 50 10 JJGE O=C(N[C@@H](CCl)CC1CCCC1)c1ccc(I)c(Br)c1 1926736182 NJWZOBWMQLALCE-GFCCVEGCSA-N 470.576 4.971 50 10 JJGE FC1(F)CN(Cc2cc(Cl)ccc2I)CC[C@@H]1CBr 2090184760 UXQYGOUFPNMCGS-SNVBAGLBSA-N 464.519 4.797 50 10 JJGE C[C@H](NC(=O)c1cc(Cl)ccc1I)[C@@H]1CCC[C@@H]1Br 2111558475 QCGANDVKGBBEKK-PEXQALLHSA-N 456.549 4.627 50 10 JJGE CCCC(CBr)(CCC)CN1CC2(C1)CS(=O)(=NC(=O)OC(C)(C)C)C2 2126372416 SGCNNRIKBIGXHH-UHFFFAOYSA-N 451.471 4.687 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@H](Br)[C@@H]1C1CC1 2130610993 IXLUZBRYQHZYFO-STQMWFEESA-N 451.984 4.600 50 10 JJGE Cc1c(Br)ccc([C@H](Br)[C@H]2CCCS(=O)(=O)C2)c1Br 2138862967 KVOYCASMIUSLOF-TVQRCGJNSA-N 475.040 4.781 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CCC2(CC1)C[C@H]2CBr 2148910616 SCEDFRWJZFDKRF-JTQLQIEISA-N 466.011 4.849 50 10 JJGE CCO[C@@H]1CC[C@H]([C@H](Br)c2cc(I)cc3c2OCC3)C1 2174889303 RQHPOJKTUNKNPO-ZBINZKHDSA-N 451.142 4.867 50 10 JJGE CCC[C@H](CBr)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2177248600 KCOQSUVWBGNBFM-MRVPVSSYSA-N 468.038 4.845 50 10 JJGE O=S(=O)(c1cc(Cl)cc(CBr)c1F)N1CC[C@@H](COCc2ccccc2)C1 2179862544 XVRJYEZSVWUVEE-OAHLLOKOSA-N 476.795 4.601 50 10 JJGE O=C(N[C@H](CCl)[C@@H]1CC=CCC1)c1ccc(Br)cc1I 2207264619 HNWLKQPRAZZMNE-QMTHXVAHSA-N 468.560 4.747 50 10 JJGE O=C(c1ccc(Br)cc1I)N(CCCl)Cc1cccs1 2207271244 GWFXNVUVBVTNJP-UHFFFAOYSA-N 484.584 4.996 50 10 JJGE CCCN(CCCCCI)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2214705007 MBLZYFCGTBLJQA-QGZVFWFLSA-N 452.421 4.951 50 10 JJGE Cc1ccc(I)c(C(=O)N[C@H]2CCCC[C@H]2CCBr)c1 2240902383 ZIRUOUJPMPSNTJ-WFASDCNBSA-N 450.158 4.673 50 10 JJGE Cc1cccc(C(=O)N(C[C@H](C)Br)CC(C)(C)C)c1I 2288063300 XSCFFQPXGZXXNY-LBPRGKRZSA-N 452.174 4.871 50 10 JJGE CCOC(=O)C(C#N)=C1S[C@@H](Cc2cccc(C)c2)C(=O)N1c1ccc(Br)cc1 2293039102 CIZOHIQWEIQESR-IBGZPJMESA-N 471.376 4.747 50 10 JJGE CC1(C)OCCO[C@@H]1[C@@H](Br)c1sc(Cl)cc1I 2300949272 JWVALPLGGZTPFV-WCBMZHEXSA-N 451.551 4.636 50 10 JJGE N#CC(=Cc1c(Oc2ccccc2F)nc2ccccn2c1=O)C(=O)Nc1ccccc1Cl 2314533829 UFCQEZUKZOYRFZ-UHFFFAOYSA-N 460.852 4.825 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@@]2(CBr)CC[C@H]1C2 2314878395 UGQHXWIUQKMVSG-MADCSZMMSA-N 458.013 4.663 50 10 JJGE CS(=O)(=O)c1cscc1[C@@H](Br)c1sc(Cl)cc1I 2316601704 WXQZWMADWJNKLG-SECBINFHSA-N 497.626 4.955 50 10 JJGE COc1ccc(Br)c(C(=O)N[C@H](CCBr)COCc2ccccc2)c1 2320356536 NTGSJVUYSSSZEZ-OAHLLOKOSA-N 471.189 4.558 50 10 JJGE C[C@H]1[C@H](C)N(C(=O)c2csc(Br)c2Br)CC[C@H]1Br 2321281426 BBRLXPLMGMCQBZ-ACLDMZEESA-N 460.029 4.907 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1 2328799145 GUDIDUFKJLTDRK-NRFANRHFSA-N 457.958 4.769 50 10 JJGE C=CC[C@@H](Br)[C@@H]1CCN1C(=O)c1cccc(Br)c1Br 2335817906 NVSJPDWCNHOJDB-PWSUYJOCSA-N 451.984 4.766 50 10 JJGE CC(C)c1ncccc1CO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2342161449 YZSBMTALGLHPCH-HXUWFJFHSA-N 474.383 4.926 50 10 JJGE CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)CCCCBr)[C@@H](C(F)(F)F)C1 2362896924 GMUCCBAEDXUCPU-ZIAGYGMSSA-N 459.347 4.636 50 10 JJGE Cn1cc(C(=O)c2ccc(Cl)cc2)cc1/C=C(\C#N)S(=O)(=O)c1ccc(C(F)(F)F)cn1 6143280 CNXLISIUHVJSBK-GIJQJNRQSA-N 479.867 4.662 50 10 JJGE N#C/C(=C/C1=C(N2CCOCC2)/C(=C/c2cccc([N+](=O)[O-])c2)CC1)C(=O)Nc1ccccc1F 33538357 UZIJVCHJJSDCHH-XPIFUUQGSA-N 474.492 4.586 50 10 JJGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2)cc1 38653131 BNJIFJDUNPQNSJ-CPJLOUKISA-N 458.489 4.979 50 10 JJGE Cc1ccccc1C(=O)NNc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 40646403 VVZCQLFHTXBHFQ-UHFFFAOYSA-N 455.478 4.615 50 10 JJGE CCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2OC)CCC3)cc1 40813211 SVJWHSOWXTXOGO-VFCFBJKWSA-N 461.518 4.718 50 10 JJGE O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 48573364 ZQFUADYOTLOZCD-KIBLKLHPSA-N 488.283 4.973 50 10 JJGE Cc1ccc(/C=N/NC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1 58990481 KYCSOZZEYOPVSI-OVVQPSECSA-N 455.587 4.603 50 10 JJGE CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)CCl)cc1OC 97914658 HZKJEEFMRZXGNT-AREMUKBSSA-N 487.040 4.894 50 10 JJGE O=C(NC[C@H](Br)c1ccccc1)c1ccc(I)c(Cl)c1 232348941 MGCZOOMGRRFDRR-LBPRGKRZSA-N 464.528 4.811 50 10 JJGE Cc1ccc(NC(=O)C(=O)NN=Cc2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 263622335 OXXRGEGPGHIGSE-UHFFFAOYSA-N 465.509 4.765 50 10 JJGE C[C@@H]1CCCN(C(=O)c2cc(Br)c(Br)s2)[C@@H]1CBr 688625478 VZGGQVPSKLOOSV-VXNVDRBHSA-N 460.029 4.909 50 10 JJGE CC(C)[C@@](C)(CBr)NC(=O)c1ccc(I)c(Br)c1 721606627 ADOVSLQPETYESH-CYBMUJFWSA-N 488.989 4.593 50 10 JJGE C[C@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)C(=O)Nc1cccc(Cl)c1 761380730 CNIQWISGYGVESW-NFBGKYEXSA-N 473.920 4.595 50 10 JJGE C#CCN(C(=O)/C(C#N)=C/c1cc(C)n(-c2cccc3ccccc23)c1C)C1CCN(C)CC1 1536121499 ARGIIBGLDSIIFR-NCELDCMTSA-N 450.586 4.710 50 10 JJGE CC(C)(C)c1ccc(OCCCC(=O)NN=Cc2ccccc2C(=O)O)c(Br)c1 1772755420 GZHCDKYFZHZZCR-UHFFFAOYSA-N 461.356 4.754 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)ccc1O 1865681774 WTGGLJKDLRWKLC-DEOSSOPVSA-N 480.524 4.870 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)cc(Br)c1O 1865687834 BEDKKCNHKFYJHU-FQEVSTJZSA-N 495.377 4.828 50 10 JJGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 1865759811 SYQCGRGJWARICX-GFCCVEGCSA-N 480.298 4.871 50 10 JJGE CC1(C)C[C@H](Br)CN(C(=O)c2cc(Br)sc2Br)C1 1923151350 PMEUVYZNKRQKCQ-ZETCQYMHSA-N 460.029 4.909 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC2(CC2)C[C@@H]1CBr 2099156054 ZUNISMOPYTXWFF-SNVBAGLBSA-N 451.984 4.601 50 10 JJGE C[C@]1(CCBr)CCN(C(=O)c2ccc(Br)cc2Br)C1 2131898871 JUHVVHIYQGXEPB-AWEZNQCLSA-N 454.000 4.849 50 10 JJGE O=C(NCC1CCC(Cl)CC1)c1ccc(Br)cc1I 2142284686 GMYXIFHRBXEIFZ-UHFFFAOYSA-N 456.549 4.581 50 10 JJGE CC1CCC(CBr)(NC(=O)c2cc(I)ccc2F)CC1 2169665891 XKMNZYLSIBGKOF-UHFFFAOYSA-N 454.121 4.504 50 10 JJGE O=S(=O)(NCC[C@@H]1CCCC[C@@H]1Br)c1cc(Cl)c(Br)s1 2179630793 XMICOQQTZLQFBA-IUCAKERBSA-N 465.660 4.786 50 10 JJGE Cc1c(CBr)cccc1S(=O)(=O)N(Cc1ccccc1)CC1CCOCC1 2179779233 JXQNSPKLVCGFLN-UHFFFAOYSA-N 452.414 4.507 50 10 JJGE C=CC[C@@]1(CCl)CCCN1C(=O)c1ccc(I)c(Br)c1 2287745513 PZQQNIULURLHTD-HNNXBMFYSA-N 468.560 4.843 50 10 JJGE C=CC[C@@]1(CCl)CCN(C(=O)c2cc(I)ccc2Br)C1 2287748841 VHUCPWWSOSPKHQ-HNNXBMFYSA-N 468.560 4.701 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1OC 2293656533 XDAYDZCGUSHJEB-UHFFFAOYSA-N 485.540 4.966 50 10 JJGE Brc1cc(Br)cc(C[C@H](Br)[C@H]2CCn3nccc3C2)c1 2295346105 VJXCVOKRNJOFFB-NHYWBVRUSA-N 463.011 4.977 50 10 JJGE Cc1c(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C 2296538179 DKSGCVFMCGQGEZ-UHFFFAOYSA-N 464.525 4.609 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(OC)c2)sc2c1CC[C@H](C)C2 2296836433 ZCLNRSLAYBJQDW-AWEZNQCLSA-N 454.548 4.612 50 10 JJGE Cc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)c1 2314531390 AEIFMWIXXUNYMA-UHFFFAOYSA-N 456.889 4.994 50 10 JJGE CCCCCCOc1ccccc1C(=O)C=NNC(=O)CSc1nc2ccccc2n1C 2322910843 UVKPDSBDGSJHBD-UHFFFAOYSA-N 452.580 4.609 50 10 JJGE BrC[C@@]12CC[C@@H](CN1Cc1ccc(I)c(Br)c1)C2 2325226634 QWHZLHKTBMFNAL-RISCZKNCSA-N 485.001 4.803 50 10 JJGE F[C@H](CBr)C1CCN(Cc2ccc(Cl)c(I)c2)CC1 2337226940 FGPRETKBOAFYST-CYBMUJFWSA-N 460.556 4.890 50 10 JJGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)C1CCCCC1 14648672 ADEKCTQXOUZTPF-UHFFFAOYSA-N 484.460 4.624 50 10 JJGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)c1 14668227 ZNKZWWXKBWKCJI-UHFFFAOYSA-N 491.426 4.784 50 10 JJGE CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 33738038 BPXPNQVZXSSVKF-GHXNOFRVSA-N 450.676 4.955 50 10 JJGE COc1cc(/C=N/NC(=O)COc2ccccc2Br)ccc1OCc1ccccc1 40911080 NKBWEFDXDJHXQQ-AFUMVMLFSA-N 469.335 4.566 50 10 JJGE COc1cc(/C=N/NC(=O)CSc2ccccc2C)ccc1OCc1ccc(C(=O)O)cc1 59166207 FEADKICJGKGGGH-VULFUBBASA-N 464.543 4.523 50 10 JJGE COc1ccc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1 59250235 GQEBXVGCTCFIEI-BRJLIKDPSA-N 471.966 4.697 50 10 JJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OC 101234733 DIXKGUJEKBRAPF-QGOAFFKASA-N 486.355 4.758 50 10 JJGE COc1ccc(CCNC(=O)/C(C#N)=C\c2cn(Cc3ccccc3)nc2-c2ccccc2)cc1OC 207036505 HXLPASAFYJYPBO-BWAHOGKJSA-N 492.579 4.881 50 10 JJGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 214248805 QZNJDZQJJXHQQI-YNJLWJOVSA-N 478.552 4.863 50 10 JJGE CC(=NNC(=O)Cc1ccc(Br)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 252627231 RPHRMELWFKATII-UHFFFAOYSA-N 468.326 4.923 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=C/C=C\c3ccccc3)n2-c2ccccc2)cc1 254672058 ZYVJJWFTZJFKKK-MPUZODINSA-N 469.570 4.850 50 10 JJGE CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NN=Cc2ccc(Cl)c(Cl)c2)cc1 254845761 ZCBOCCMVRXODBQ-UHFFFAOYSA-N 456.395 4.568 50 10 JJGE O=C(CBr)c1c(Br)ccc(I)c1C(F)(F)F 575695415 NKMIADLHQINEIF-UHFFFAOYSA-N 471.836 4.650 50 10 JJGE CCn1cc([C@@H](Br)c2cc(Br)cc3c2OCC3)nc1Br 698388439 BYSLLODIQCEUAN-LBPRGKRZSA-N 464.983 4.847 50 10 JJGE CC1(C)CO[C@@H](C[C@H](Br)c2cc(I)cc3c2OCC3)C1 717148379 IMQDQSIESWLUDC-JSGCOSHPSA-N 451.142 4.867 50 10 JJGE Cc1ccc(NC(=O)COC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c(C)c1 782092020 BEQFUSCSTAPREA-MOSHPQCFSA-N 487.947 4.823 50 10 JJGE CC(C)C(=NNC(=O)COc1ccc(Br)cc1Br)c1ccccc1 1084032864 OBNVBKKWMYHYBD-UHFFFAOYSA-N 454.162 4.767 50 10 JJGE O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NN=Cc1cccc([N+](=O)[O-])c1 1084188351 YKUJWAHTADSPOG-UHFFFAOYSA-N 457.515 4.894 50 10 JJGE C[C@H](c1nnc(SCC(=O)NN=C2C[C@H]3CC[C@@]2(C)C3(C)C)n1-c1ccc(Cl)cc1)N(C)C 1087755658 WVOCPTUZRZLXFF-DQIAKBPPSA-N 489.089 4.954 50 10 JJGE CCOc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)cc1OC 1614618970 UTUXBYMAHFEIRI-MOPGFXCFSA-N 451.348 4.745 50 10 JJGE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(Cl)c(Br)c1 1646504106 HFHGVOGBJNOIDK-CYBMUJFWSA-N 453.164 4.582 50 10 JJGE COc1ccc(-c2cccc(C(=O)NN=Cc3cc([N+](=O)[O-])cc(Br)c3O)c2)cc1 1772718538 UKGYKWRXNXURNZ-UHFFFAOYSA-N 470.279 4.502 50 10 JJGE Cc1cc(NC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)no1 1772750143 VOZVULOYXDGYKG-UHFFFAOYSA-N 491.331 4.679 50 10 JJGE CCCCCOc1ccc(C=NNC(=O)COc2ccc(Br)c(C)c2)cc1OC 1772754172 DDHGJCKFWIAIKV-UHFFFAOYSA-N 463.372 4.864 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)ccc1O 1865681168 GTJOFGUAJFBLTJ-RUZDIDTESA-N 494.551 4.929 50 10 JJGE CC(C)(C)c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(Cc2ccc4c(c2)OCO4)C3=O)n1 1872747602 LBOCCLNVGCQHEE-PYCFMQQDSA-N 487.537 4.915 50 10 JJGE N#C/C(=C(/O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(F)c(F)c2)cs1 1872751396 GEDKXEXEPDQZGZ-RGEXLXHISA-N 496.451 4.866 50 10 JJGE Brc1cc(CNC2CC2)cc(Br)c1OC[C@@H]1C[C@@H]1Br 1887832782 JYLATZSGMVPNCB-ONGXEEELSA-N 454.000 4.626 50 10 JJGE CCN(C[C@@](C)(CI)OC[C@@](C)(F)C(F)(F)F)C(=O)OC(C)(C)C 2017070605 RYXSVIAPBRAXAZ-ZIAGYGMSSA-N 471.273 4.744 50 10 JJGE COc1cc(C=C(C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC(F)F 2040445964 BCOHIWPYKYFXDA-UHFFFAOYSA-N 464.273 4.950 50 10 JJGE CCOC(=O)C(C#N)=Cc1ccc(OCC(=O)Nc2ccc(C)cc2Br)c(OCC)c1 2053490350 FKXKFLAZGQBKLC-UHFFFAOYSA-N 487.350 4.644 50 10 JJGE CCOc1ccc(Br)cc1C=C(C#N)C(=O)Nc1ccccc1I 2053624734 RKKARQTUUVJLCT-UHFFFAOYSA-N 497.130 4.998 50 10 JJGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C(=O)[C@H](Br)C1CCCC1 2110715342 MLALJZAXPFKMPY-PWRODBHTSA-N 465.432 4.978 50 10 JJGE Cl[C@@H]1CC[C@@H]2CCCN(c3ncc(I)cc3Br)[C@H]2C1 2133372791 DQEKTXGKFDYTKD-CWSCBRNRSA-N 455.565 4.825 50 10 JJGE Cl[C@@H]1CC[C@@H]2CCCN(c3ncc(I)cc3Br)[C@@H]2C1 2133372793 DQEKTXGKFDYTKD-OPQQBVKSSA-N 455.565 4.825 50 10 JJGE COCCn1ncc(Br)c1C[C@@H](Br)c1cccc(Br)c1 2169798391 CWSLFVHPUYRVNH-GFCCVEGCSA-N 466.999 4.733 50 10 JJGE C[C@@H](CBr)CC1CN(C(=O)c2cccc(Br)c2Br)C1 2230532468 PHHYXWIWPHDEIQ-SECBINFHSA-N 454.000 4.705 50 10 JJGE CC(C)(CCCBr)CNC(=O)c1ccc(Cl)c(I)c1 2268348198 NKFFQHBUWINYSN-UHFFFAOYSA-N 458.565 4.876 50 10 JJGE C[C@H](Br)CN(C(=O)c1cc(Cl)ccc1I)C(C)(C)C 2272479587 ORQCQSOPUWRIDJ-VIFPVBQESA-N 458.565 4.969 50 10 JJGE COc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 2296719456 VMIJGBUCCUEQPJ-UHFFFAOYSA-N 466.497 4.658 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@H](Br)[C@H]2CC[C@H]21 2310810169 MOZRILJNTQBWRI-ZXFLCMHBSA-N 458.013 4.661 50 10 JJGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(C(C)C)c(C)c2)c(OC)c1 2314808152 FFLNAZADPWATPZ-UHFFFAOYSA-N 494.588 4.561 50 10 JJGE CCCOc1c(OC)cc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1[N+](=O)[O-] 2318415739 VOKNHDXIUQATJJ-UHFFFAOYSA-N 450.495 4.516 50 10 JJGE N#CC(=Cc1cccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)c1)c1ccccc1F 2320511154 LLGVSVQPERQLKP-UHFFFAOYSA-N 454.457 4.872 50 10 JJGE Cc1ccc(COc2ccc(C=NNC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)cc1 2321721610 TVJPGVNUCXXZNS-QFIPXVFZSA-N 451.567 4.671 50 10 JJGE COCCOc1ccc(C=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2325107810 RPGVYOWTHPIGFW-UHFFFAOYSA-N 481.596 4.553 50 10 JJGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NN=Cc4cccc(Cl)c4Cl)c(=O)c23)C1 2325903218 HAPWNMCRSCPRDL-RYUDHWBXSA-N 463.390 4.601 50 10 JJGE CCOc1cc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1ccccc1Cl 2328794943 MRFJYEJTLRKQCO-INIZCTEOSA-N 475.973 4.681 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccc(F)cc2)cc1 2328821154 SNQMQSOSIYYSCR-JTSKRJEESA-N 457.546 4.794 50 10 JJGE Cc1cc(I)c(Oc2c(CBr)c(C)nn2C)cc1Cl 2336550939 KSMBADPXFQLQBZ-UHFFFAOYSA-N 455.521 4.982 50 10 JJGE C[C@H](Br)CN(C(=O)c1ccc(Cl)cc1I)C1CCC1 2340060420 CEHFNFAMYLJEMQ-VIFPVBQESA-N 456.549 4.723 50 10 JJGE FC1(F)CN(Cc2ccc(I)c(Br)c2)CC[C@@H]1CCl 2349833806 JABGHSQXZAJZGI-SNVBAGLBSA-N 464.519 4.750 50 10 JJGE C[C@@H](Br)C12CCC(CC1)N2C(=O)c1ccc(Cl)cc1I 2365598598 QYNOSWNBIRIUMU-IWPPJYEWSA-N 468.560 4.865 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(O[C@@H](C)CC)c2)cc1 10672415 RGKPBGFOMSZFJS-SFHVURJKSA-N 471.623 4.772 50 10 JJGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1cc(C)cc(C)c1 14648243 FNKWOVXCAQNCHU-UHFFFAOYSA-N 477.399 4.865 50 10 JJGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(I)c2O)cc1 33338309 NKNNSIMWGABDAV-SDQBBNPISA-N 483.103 4.613 50 10 JJGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2Br)cc1 100154551 VTNNDFUROZBJML-UHFFFAOYSA-N 492.439 4.748 50 10 JJGE O=c1[nH]c2ccc([C@H](Br)c3cc(Br)c(Br)s3)cc2[nH]1 128861826 QUCDYXYLZPJLHI-JTQLQIEISA-N 466.980 4.927 50 10 JJGE O=S(=O)(NC[C@@H](Br)c1ccccc1)c1cc(Cl)c(Br)s1 136748507 GKLJHHDUDBRIKW-SECBINFHSA-N 459.612 4.579 50 10 JJGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)cc1 210035033 HSDGOCHFLKBROC-IWIPYMOSSA-N 483.549 4.957 50 10 JJGE C[C@@H]1CCC[C@](CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)(N(C)C)C1 727727769 GMDKYOWUWXPAQC-DFOFCZJBSA-N 479.028 4.651 50 10 JJGE COc1cccc(Cc2cnc(NC(=O)NNC(=O)c3c(Cl)cccc3Cl)s2)c1 727840549 LMOBSQUPOVYZOW-UHFFFAOYSA-N 451.335 4.516 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2cccc(Cn3cccn3)c2)c(-c2ccc(Cl)cc2)n1 914736373 HUNIHQQMHSQYQH-QNGOZBTKSA-N 481.947 4.908 50 10 JJGE O=C(NN=Cc1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1)c1ccccc1 1083915655 DORIAQQIBMIAQM-UHFFFAOYSA-N 466.522 4.894 50 10 JJGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c(C)c1 1084336541 IKCWJEJWIIEMFF-ZVBGSRNCSA-N 457.486 4.653 50 10 JJGE CC(=O)c1ccc(C(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(C(C)C)cc2)c(F)c1 1136795784 IBQAJZWGLGEJLA-UHFFFAOYSA-N 458.493 4.608 50 10 JJGE Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1 1858684143 FNSREPPQRRDAMR-AWEZNQCLSA-N 470.869 4.969 50 10 JJGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865705513 XNFOMLZVGBIXRH-OAQYLSRUSA-N 465.351 4.949 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1865705855 HGQMNJZTFJEAIC-MRXNPFEDSA-N 475.814 4.730 50 10 JJGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)COc1ccc(Cl)cc1 1865759833 UNMNWXBYNGJTSD-UHFFFAOYSA-N 464.736 4.857 50 10 JJGE CCc1ccc(OCCCC(=O)NNC(=O)CCC(=O)c2ccc(C)cc2C)c(Br)c1 1865760190 LHHYEHNNKHYPOH-UHFFFAOYSA-N 489.410 4.598 50 10 JJGE COc1cccc(-c2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3O)c(C)n2)c1 1865760620 HEPRNORRPNFTTG-MYKKPKGFSA-N 474.742 4.951 50 10 JJGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C)[C@@H](c3ccc(F)cc3)C2)n1 1868253546 KXPKNXHPEMSWHC-JOCHJYFZSA-N 478.597 4.614 50 10 JJGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C(=O)C3CCCCC3)CC2)n1 1868278146 UHPIOHGVXWBUQT-UHFFFAOYSA-N 450.612 4.585 50 10 JJGE N#CSc1ccc(Nc2cc(N3CCNC(=O)[C@@H]3c3ccc(F)cc3)nc(-c3cccnc3)n2)cc1 1868564438 AEDMAVHSBXXFBY-DEOSSOPVSA-N 497.559 4.672 50 10 JJGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)CN2C(=O)c3ccccc3C2=O)n1 1872755296 HKAHPKOWAARYIB-MNDPQUGUSA-N 465.918 4.869 50 10 JJGE CC[C@@H](CBr)COCc1cc(I)ccc1Br 1902213160 NBTXCGLWZFJWMB-VIFPVBQESA-N 461.963 4.991 50 10 JJGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(I)c(O)c1 1915075788 JFXKONINPNPJDV-HNNXBMFYSA-N 488.163 4.813 50 10 JJGE Cc1sc(Br)cc1C(=O)N(C)C[C@H](Br)COCc1ccccc1 1916388870 TWDJBYGIBKGSNT-AWEZNQCLSA-N 461.219 4.871 50 10 JJGE O=S1(=O)CCC([C@H](Br)c2cc(Br)c(Br)s2)CC1 1942225488 HCBDBYFPJRQKIS-VIFPVBQESA-N 467.042 4.534 50 10 JJGE CS(=O)(=O)C1([C@H](Br)c2sc(Br)cc2Br)CCC1 2001802420 FVFYSWSEQCRRNN-SECBINFHSA-N 467.042 4.676 50 10 JJGE CCN(C[C@@](C)(CI)OCCOC1CCCCC1)C(=O)OC(C)(C)C 2027133391 ODHOTGBZISZGBD-LJQANCHMSA-N 469.404 4.803 50 10 JJGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2c1ncc(I)cc1Br 2069529805 UDXXAXSTVOLUAZ-ZIYJGFGOSA-N 485.989 4.589 50 10 JJGE CCCc1cccc(-n2nc(CBr)c(I)c2C(F)(F)F)n1 2078916767 XVOLHMJDGAPHDO-UHFFFAOYSA-N 474.062 4.738 50 10 JJGE CCOC(=O)C12CC(CI)(C1)O[C@@H]2C(c1ccccc1)c1ccccc1 2080415675 AVNUNNRGSZTJBX-JSRJAPPDSA-N 462.327 4.734 50 10 JJGE COC[C@@H]1CC[C@H]([C@H](Br)c2cc(I)cc3c2OCC3)C1 2181797859 RAQGVBVWWLQJFT-ZETOZRRWSA-N 451.142 4.725 50 10 JJGE CC(C)(C)OC(=O)NC1(CNC(=O)[C@@H](Br)C2CCCC2)CCC(F)(F)CC1 2201484642 YVZMNDXIMWDDPG-AWEZNQCLSA-N 453.368 4.529 50 10 JJGE COC[C@@]1([C@H](Br)c2cc(Br)c(Br)cc2F)CCCO1 2225617593 UWFOEMXIWQRCRW-CHWSQXEVSA-N 460.963 4.982 50 10 JJGE Cc1ccc(C(=O)N[C@]2(CBr)CCC[C@H](C)C2)cc1I 2232825125 DAIVOORHERGJOI-MEDUHNTESA-N 450.158 4.673 50 10 JJGE C[C@@]1(CNC(=O)c2cc(Br)sc2Br)CCC[C@H]1Br 2258808591 FQTHOPNPUGABKY-PELKAZGASA-N 460.029 4.957 50 10 JJGE Cc1cccc(C[C@H]2SC(=C(C#N)C(=O)NCCc3ccccc3)N(c3ccc(F)cc3)C2=O)c1 2293039146 INLNTABMIMQIFQ-RUZDIDTESA-N 485.584 4.919 50 10 JJGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 2314611576 XMQYUMUZXIIYHY-UHFFFAOYSA-N 494.551 4.559 50 10 JJGE CCCc1ccc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OCC)cc1 2314754756 AOSCFFNHPVLCSX-UHFFFAOYSA-N 488.540 4.839 50 10 JJGE Cc1cc(I)ccc1NC=C(C#N)C(=O)Nc1cccc2c(O)cccc12 2324915365 MTRQUYBFRSZURE-UHFFFAOYSA-N 469.282 4.917 50 10 JJGE CCOc1cc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCc1ccccc1 2328799149 HTLOFKHIDFIOKX-NRFANRHFSA-N 467.566 4.514 50 10 JJGE COc1c(Br)cc(Br)cc1C=C(C#N)S(=O)(=O)c1ccccc1 2331030362 HTVYFJUUOORBHL-UHFFFAOYSA-N 457.143 4.559 50 10 JJGE CCCO[C@@H]1[C@H](Br)C[C@H]1Oc1cc(Cl)c(C)cc1I 2336557293 WTVCJBNMSATQOO-OWYVNGRQSA-N 459.549 4.963 50 10 JJGE CC(C)[C@H](CBr)N(C)C(=O)Cc1cc(Br)cc(Br)c1 2341388848 YOONRLKPARPPOB-ZDUSSCGKSA-N 456.016 4.632 50 10 JJGE C[C@H]1[C@H](C)N(C(=O)c2ccc(Cl)c(I)c2)CC[C@H]1Br 2344521209 SQSRARMQTRBPCK-ATZCPNFKSA-N 456.549 4.579 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1[C@H]2CC[C@@H]1C[C@H]2CBr 2360163444 AYWQCWGUOSDDMJ-GDLCADMTSA-N 466.011 4.529 50 10 JJGE COc1ccc(C[C@@H](Br)c2c(Br)c(Br)nn2C)cc1F 2364031261 HWUAUOCNSRGOBZ-MRVPVSSYSA-N 470.962 4.772 50 10 JJGE C[C@]12C[C@H](C1)[C@H](CO[C@@H](CI)c1cccc(Br)c1)CO2 2366736726 XMVSHYRPHKDXBH-VDERGJSUSA-N 451.142 4.757 50 10 JJGE COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OC(=O)c1cccc2ccccc12 2901835 OSAWBAAGUZJFFD-OCSSWDANSA-N 467.525 4.938 50 10 JJGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)COc1ccc(Br)c(C)c1 10683534 PSGZMDWTIYIVQH-MGPUTAFESA-N 477.399 4.655 50 10 JJGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 14668093 CDCCAIMJWUIJGK-UHFFFAOYSA-N 483.362 4.890 50 10 JJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c(Br)c1 14832370 LTNCBQVRYGRTAU-RHSMWYFYSA-N 477.399 4.573 50 10 JJGE COc1cc(/C=N\NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1ccc(Cl)cc1 33155034 TWMSPWALEPKULY-ROTLSHHCSA-N 470.982 4.577 50 10 JJGE O=C(CCCNC(=O)c1ccccc1Cl)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 33959062 CDXKZNYVRHDIAE-MUFRIFMGSA-N 498.366 4.873 50 10 JJGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OC(C)C)cc3)ccc21 38650029 KLBNFHPEXVMTHR-RUZDIDTESA-N 456.498 4.920 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)ccc2OC)cc1 38659782 GURVTXGDUMJUCI-RUZDIDTESA-N 472.497 4.540 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1c(F)cccc1Cl 38680254 CYMVEMWEFUMGQB-HXUWFJFHSA-N 465.824 4.825 50 10 JJGE COc1cc(C[C@@H](Br)c2cc(I)ccc2Br)ncn1 234986461 LAHZPBYMSAFVLM-GFCCVEGCSA-N 497.956 4.531 50 10 JJGE O=C(c1cc(Cl)ccc1I)N(CCBr)C1CCCC1 236064958 QVLLYODVHPDHHR-UHFFFAOYSA-N 456.549 4.724 50 10 JJGE C/C(C=NNC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1)=C\c1ccccc1 252634111 WKFYCNUAOKZDQB-ORAPQETNSA-N 452.558 4.729 50 10 JJGE O=C(NN=CC1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1)c1ccc(Br)cc1 254347808 KOSDTXCXBFVERW-CQXLTOIFSA-N 466.379 4.628 50 10 JJGE COc1ccc(OCC(=O)NN=C(C)CC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 254589902 MEFXSPLEPDARGG-UHFFFAOYSA-N 475.501 4.503 50 10 JJGE CC(C)(C)C[C@@H](CBr)NC(=O)c1cc(Cl)ccc1I 393478011 MUMUDAXFRJFOFY-JTQLQIEISA-N 458.565 4.874 50 10 JJGE Brc1cc([C@H]2CCC[C@H](CI)O2)cc2c1OCCCO2 394248601 SHZVUISELLOXCA-DGCLKSJQSA-N 453.114 4.656 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H](C)C[C@H](C)Br)cc1Br 398609042 XXMADSWKNMXYBQ-WPRPVWTQSA-N 492.071 4.608 50 10 JJGE FC(F)(F)Oc1cc(Br)c(CBr)cc1I 575696109 RWYRZXGKFOPIFW-UHFFFAOYSA-N 459.825 4.847 50 10 JJGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1ccc(I)c(Cl)c1 686180168 RLZJGCXJGQMOGI-GCDPNZCJSA-N 468.560 4.721 50 10 JJGE BrCc1cc(Br)c(OCC2=CSC3=NCCN23)c(Br)c1 699166200 BSFGJPUCJLPPMK-UHFFFAOYSA-N 483.023 4.745 50 10 JJGE O=S(=O)(NC1(CBr)CCCCCC1)c1cc(Cl)c(Br)s1 713450886 CLUGQURANWVBOP-UHFFFAOYSA-N 465.660 4.930 50 10 JJGE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C=NNC(=O)CN(Cc1ccccc1)Cc1ccccc1 1083885643 FEXZFBQDLAZHRU-UHFFFAOYSA-N 496.571 4.550 50 10 JJGE COc1cc(C=NNC(=O)c2cccc(I)c2)ccc1OCc1ccccc1 1084410182 SDDBBDLFQNGBLL-UHFFFAOYSA-N 486.309 4.643 50 10 JJGE CCN(CC)c1ccc(C=NNC(=O)COc2ccc3ccccc3c2Br)c(O)c1 1084532405 CUFZCMSIHKBRHT-UHFFFAOYSA-N 470.367 4.683 50 10 JJGE Cc1ccccc1C(=O)N1CCC(C(=O)NN=Cc2ccccc2OCc2ccccc2)CC1 1565519363 OPFJMYFYCSXPBK-UHFFFAOYSA-N 455.558 4.577 50 10 JJGE CC(=O)N1CCC[C@@H](CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc4ccccc34)c2C)C1 1586568997 UEMGHMIFKCRDBL-JOODZBNRSA-N 454.574 4.529 50 10 JJGE CC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)CCSc3ccc(F)cc3)cc2)cc1 1638037862 ZIPGFGKVIIBTFW-UHFFFAOYSA-N 452.507 4.764 50 10 JJGE Cc1c(C(=O)N2CCC(C)CC2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744581 XEZZFUMNYQEEAI-UHFFFAOYSA-N 472.383 4.693 50 10 JJGE CCCCCN1C(=O)C(=NNC(=O)COc2cc(C)cc(C)c2)c2cc(Br)ccc21 1772752386 CKPOGVNIJLBANS-UHFFFAOYSA-N 472.383 4.502 50 10 JJGE CCCc1ccc(OCC(=O)NN=Cc2ccc(OCC)c(OCC)c2)c(Br)c1 1772756072 KPTMYHHFARVEAH-UHFFFAOYSA-N 463.372 4.728 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680795 WDNAHDOKUQOBSX-QFIPXVFZSA-N 486.915 4.831 50 10 JJGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865693723 QIYOAEDGUSEYBQ-QHCPKHFHSA-N 458.562 4.818 50 10 JJGE N#C/C(=C\c1ccc(Br)cc1)C(=O)NCCc1cccc(Br)c1F 1866128860 PTPNWFJRFCHOLR-GXDHUFHOSA-N 452.121 4.617 50 10 JJGE CCOC(=O)c1sc(NC(=O)/C(C#N)=C/c2cccc(Br)c2)c(C(=O)OCC)c1C 1866131722 KOQZIIXGZSKAGC-NTEUORMPSA-N 491.363 4.718 50 10 JJGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)CC1=O 1872751330 BZZKDMQXDKWEAQ-AWMROSOHSA-N 481.480 4.721 50 10 JJGE Cc1cc(C(=O)N[C@H](CCBr)COCc2ccccc2)c(Br)s1 1902790025 DTULBFQCBAIKOO-CQSZACIVSA-N 461.219 4.919 50 10 JJGE BrCC[C@H]1CN(Cc2cccc(Br)c2Br)CCS1 2031484396 BSUKPZFUSPJYKF-NSHDSACASA-N 458.057 4.914 50 10 JJGE O=C(NC[C@H]1CCC[C@@H](Br)C1)c1csc(Br)c1Br 2032953284 GMRFFVATXXYNBC-JGVFFNPUSA-N 460.029 4.957 50 10 JJGE O=C(NC[C@]1(F)C[C@H](CBr)C1)c1csc(Br)c1Br 2049518235 SOIZEXMITOECJQ-MHWOZMEASA-N 463.992 4.516 50 10 JJGE FC(F)(F)C[C@H](CBr)NCc1ccc(I)c(Cl)c1 2086657442 FIYMDXNQGVFCBY-MRVPVSSYSA-N 456.471 4.750 50 10 JJGE O=S(=O)(c1ccc(CBr)c(Cl)c1)N(Cc1ccccc1)C[C@H]1CCCO1 2123209395 YTSPXZSNFSLHSV-QGZVFWFLSA-N 458.805 4.605 50 10 JJGE CC(C)(C)[C@@]1(CCl)CCN(c2ncc(I)cc2Br)C1 2133383135 CKSQMCHMZZSCOM-CQSZACIVSA-N 457.581 4.930 50 10 JJGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cn(C)c(Br)n1 2139010244 ATQUQVHMWIOPDS-LLVKDONJSA-N 452.972 4.746 50 10 JJGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cn(C)nc1Br 2141645630 KRFDVYVCORHYAY-LLVKDONJSA-N 452.972 4.746 50 10 JJGE O=S(=O)(c1cc(CCl)sc1Br)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 2163341671 MDAPOYSFVZRPLZ-LJQANCHMSA-N 489.888 4.536 50 10 JJGE O=C(NCC[C@H]1CCCC[C@@H]1Br)c1ccc(F)cc1I 2179634092 DBHDWSOTMCEDOH-MFKMUULPSA-N 454.121 4.504 50 10 JJGE CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(CBr)c(Cl)c2)CO1 2179774235 DHERCQDUZHIZSG-QGZVFWFLSA-N 472.832 4.993 50 10 JJGE C[C@@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1ccc(Cl)c(CBr)c1 2197757460 SNZHTBGHYLOCGV-FQEVSTJZSA-N 472.832 4.995 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CN(CCCCCI)CC[C@@H]1C(F)(F)F 2220216782 NCDGMRDAQLESJJ-KGLIPLIRSA-N 478.337 4.617 50 10 JJGE Cc1ccc(C(=O)N(C)[C@@H]2CCCCC[C@@H]2Br)cc1I 2232832658 FLFGEWWWYRAPGV-DZGCQCFKSA-N 450.158 4.768 50 10 JJGE Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C)CBr)cc1I 2232834679 WIINQVKEFVHKPJ-SWLSCSKDSA-N 450.158 4.625 50 10 JJGE Cc1ccc(C(=O)N[C@@H](CCBr)C2CCCC2)cc1I 2232837487 UIGKIAAFAHTRKL-HNNXBMFYSA-N 450.158 4.673 50 10 JJGE C[C@@]1(CBr)CCCN1Cc1ccc(I)c(Br)c1 2306227200 KCKCTLJVVICDBO-ZDUSSCGKSA-N 472.990 4.803 50 10 JJGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1cc(Br)c(Br)s1 2310046589 IBOFUKNHDPDJFB-XZMZPDFPSA-N 458.013 4.565 50 10 JJGE COc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)ccc1OCc1ccccc1 2314571504 GDMKMQJPXCKVGG-UHFFFAOYSA-N 487.581 4.859 50 10 JJGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(C(C)C)cc2)C(=O)N1c1ccc(OCC)cc1 2314593350 LOFLWPUOVIRYKC-DEOSSOPVSA-N 475.614 4.937 50 10 JJGE CCOc1cc(C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314618155 IHFVYJNESSLRML-QHCPKHFHSA-N 486.568 4.744 50 10 JJGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)c1 2331325373 REVNDLQBCFLMGK-UHFFFAOYSA-N 469.475 4.703 50 10 JJGE COc1cc(CBr)cc(OCc2ccc(Cl)cc2I)n1 2365649689 HTXYUDMUAPCBDQ-UHFFFAOYSA-N 468.516 4.822 50 10 JJGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 12466926 TWWQXVUZPWNEQW-VLBGROSNSA-N 463.946 4.676 50 10 JJGE O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCCC1 20071734 ZWKSWGLKTFVQGY-ZMOGYAJESA-N 465.337 4.811 50 10 JJGE Cc1cccc(Cl)c1COc1ccc(/C=N/NC(=O)c2cccc(N3CCCC3=O)c2)o1 20291613 SFKOMNRKNPCNMZ-VULFUBBASA-N 451.910 4.711 50 10 JJGE Cc1cc(O[C@@H](C)C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)ccc1Cl 20352430 HHELRUVZYHQKGL-DTZICQQMSA-N 490.579 4.797 50 10 JJGE COC(=O)c1cc(C)sc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)c(OC)c1 34983084 UYVKMANIQJGAGG-UNOMPAQXSA-N 462.527 4.976 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1OC 38659556 HOJCCUQIONVTAB-MHZLTWQESA-N 486.524 4.605 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1OCC 38679011 AHUIVRKDOVQIEH-AREMUKBSSA-N 486.524 4.930 50 10 JJGE COC(=O)/C(C#N)=C/c1cccc(OC(=O)CCCOc2ccc(C)cc2Br)c1 40944677 DHZVVABCDBOFEF-SFQUDFHCSA-N 458.308 4.602 50 10 JJGE C/C(=N\NC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1)c1ccc(F)cc1 97729906 SJEGDFRVNGVBDG-VULFUBBASA-N 454.299 4.995 50 10 JJGE O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1 100500223 KEEVAUZEIAXRQH-UHFFFAOYSA-N 470.205 4.714 50 10 JJGE O=C(COc1ccc(Cl)cc1Cl)NN=Cc1ccc(OC(=O)/C=C/c2ccco2)cc1 252643218 ZTLCBGZNHONBPX-OUXVMITHSA-N 459.285 4.734 50 10 JJGE CCCOc1ccc(C(=O)NCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 254443362 ZAMQAXAHMVFQAN-UHFFFAOYSA-N 495.583 4.517 50 10 JJGE CC1(C)CN(C(=O)c2cc(Br)ccc2I)CC[C@H]1Cl 394057531 UZPUNDXYOMFFRO-GFCCVEGCSA-N 456.549 4.533 50 10 JJGE CC(C)(C)N(CCBr)c1ncc(C(F)(F)F)cc1I 686108451 NJCSFMIXEIUALT-UHFFFAOYSA-N 451.068 4.705 50 10 JJGE Oc1nc2cc([C@H](Br)c3occc3Br)c(Br)cc2[nH]1 696526572 DKZUSYAALTUWCE-JTQLQIEISA-N 450.912 4.871 50 10 JJGE C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)c(Br)s2)[C@@H]1CCBr 697194352 QCIFZRQVXZWTJD-WCBMZHEXSA-N 465.660 4.738 50 10 JJGE O=C(Nc1ccccc1C(=O)NN=Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 1084182418 OVBUUAGMWQHYOP-UHFFFAOYSA-N 457.273 4.918 50 10 JJGE C=CCn1c(SCC(=O)NNc2cccc3c2CCCC3)nnc1-c1ccc(Cl)cc1 1636803236 NIQVREGXCKXENB-UHFFFAOYSA-N 453.999 4.899 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865683414 CUFCJXVOAHUYLS-DEOSSOPVSA-N 464.525 4.839 50 10 JJGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)c1 1865706470 XNYFBVDYNGHGRK-GOSISDBHSA-N 469.423 4.693 50 10 JJGE N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Br 1866128680 FYXNGCAMHLCKCX-YRNVUSSQSA-N 451.074 4.665 50 10 JJGE CC[C@@H](NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867194419 AYCVMPFZNXAKNY-OAQYLSRUSA-N 496.596 4.994 50 10 JJGE Cc1ccc(COc2ccccc2/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1 1873793027 SHEGSPXAFBZDFM-RWPZCVJISA-N 456.498 4.518 50 10 JJGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 1915074222 OQJWIRZHVLOSAH-OAHLLOKOSA-N 461.219 4.814 50 10 JJGE COc1ccc(C(=O)Oc2ccc(C=C(C#N)c3nc(O)c4ccccc4n3)cc2OC)cc1 2040467219 ZPGUARVXDQRJRL-UHFFFAOYSA-N 453.454 4.636 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2CC[C@@]2(CBr)C1 2078147526 OEEHKDMUESXJFB-JVXZTZIISA-N 458.013 4.520 50 10 JJGE C[C@@H](CCBr)CCNC(=O)c1ccc(Br)cc1I 2086150716 FBHHLGYHGXCENC-VIFPVBQESA-N 488.989 4.595 50 10 JJGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCCS(=O)(=O)C2)cc1Br 2089861864 VPAUIGUYUXCNEB-ZANVPECISA-N 475.040 4.781 50 10 JJGE BrCCCO[C@@H]1CCN(Cc2cccc(Br)c2Br)C1 2142047355 ZFNZFZQGQKDOOJ-GFCCVEGCSA-N 456.016 4.588 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1C[C@@H]2CCC[C@@]2(CBr)C1 2159409229 POVRBYWKLIWXKG-ZUZCIYMTSA-N 468.560 4.582 50 10 JJGE O=C(NC[C@H]1CCCC[C@H](Br)C1)c1cccc(F)c1I 2163751082 LRULOOJZMKQOLQ-QWRGUYRKSA-N 454.121 4.504 50 10 JJGE Fc1cc(Br)cc(N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)c1CCl 2170696418 DKUZVBLSGNLFRK-SFTDATJTSA-N 453.783 4.807 50 10 JJGE Cc1c([C@H](Br)c2cc(Br)c3c(c2)CCO3)c(Br)nn1C 2188140484 DWJPLGYUOSJOBX-GFCCVEGCSA-N 464.983 4.673 50 10 JJGE O=S(=O)(NC1(CCCBr)CCC1)c1cc(Br)ccc1Br 2205777690 YEXCUWPKFRAUOE-UHFFFAOYSA-N 490.055 4.588 50 10 JJGE Cc1ccc(I)c(C(=O)N[C@@H](CBr)c2ccsc2)c1 2232163036 BOOZLDAIYOZQTL-ZDUSSCGKSA-N 450.139 4.527 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](Cl)CC12CCCC2 2241026958 PXAXKMHHMLWKCL-LLVKDONJSA-N 468.560 4.820 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CCCCI)CC2)C1 2248251400 YDLYFIMPTQKXSX-KRWDZBQOSA-N 450.405 4.561 50 10 JJGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(OC)cc1 2314593708 RQNXYCDBHVIDHE-HXUWFJFHSA-N 488.396 4.730 50 10 JJGE C[C@@H](Br)CCCN(C)C(=O)c1cc(I)ccc1Br 2314599023 QMNXIGJRKVFMTL-SECBINFHSA-N 488.989 4.689 50 10 JJGE Brc1cc(CN2[C@H]3CC[C@@H]2C[C@@H](Br)C3)ccc1I 2325227191 XVKNSZCGZQWXDG-CNDDSTCGSA-N 485.001 4.944 50 10 JJGE CC(C)[C@H]1[C@@H](Br)CCN1C(=O)c1ccc(Cl)cc1I 2340056443 DZLMGWFEVAWOJI-AAEUAGOBSA-N 456.549 4.579 50 10 JJGE CSCC[C@H](Br)CCNC(=O)c1ccc(Cl)cc1I 2340065137 UFIPHKCTQISXBV-SECBINFHSA-N 476.605 4.581 50 10 JJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)sc(C)c1C 34702160 FTOFQLKWELNSCU-VBKFSLOCSA-N 464.503 4.786 50 10 JJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1 38683244 OHXLVTSCEAPDIK-QFIPXVFZSA-N 460.873 4.564 50 10 JJGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1 38687545 MZXFFWOZWTZREJ-RRPNLBNLSA-N 498.535 4.829 50 10 JJGE Nc1c(NNC(=O)c2cccc3ccccc23)ncnc1Nc1ccc(Br)cc1F 40793285 ZGWCNUPXTXENAM-UHFFFAOYSA-N 467.302 4.614 50 10 JJGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242306 HGKPLHCEMMOALE-CKVBZJJFSA-N 493.972 4.684 50 10 JJGE COc1ccc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)c(Br)c1O 169891221 UICFPOGTCXRDBB-SKBUGYKVSA-N 456.340 4.533 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CCC[C@H]1CCCBr 232484414 YULIUGQIWICEIU-CYBMUJFWSA-N 454.000 4.991 50 10 JJGE CC[C@H](Nc1ccc(I)cc1)C(=O)NN=Cc1ccc2ccccc2c1 254391709 SEVCWJANJYHQSP-FQEVSTJZSA-N 457.315 4.785 50 10 JJGE Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NN=C3CCSc4ccc(F)cc43)cc2)cc1 254671043 ZXGHPXPQWXNUCP-UHFFFAOYSA-N 497.617 4.585 50 10 JJGE CN(C[C@@H]1CCC[C@H]1Br)c1ncc(C(F)(F)F)cc1I 686116452 RASGRFGYEAKDGZ-WCBMZHEXSA-N 463.079 4.705 50 10 JJGE O=C(NCC[C@@H]1CCCO1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238696 WKSOXULWINLHLN-LPHOPBHVSA-N 474.932 4.765 50 10 JJGE CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNc3ccc(F)c(F)c3F)cc2)cc1 728716816 GABFJOQDWHMREG-UHFFFAOYSA-N 491.535 4.637 50 10 JJGE Cc1cc(C)cc(NC(=O)COC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1 782093951 CBTVPPQBPNOWKG-MOSHPQCFSA-N 487.947 4.823 50 10 JJGE CC(C)c1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084220857 VIYFHXFSXPRCJM-UHFFFAOYSA-N 484.021 4.805 50 10 JJGE O=C(COc1cccc(Br)c1)NN=Cc1cccn1-c1ccc(Br)cc1 1084474350 QBHIUBTUUMNPPW-UHFFFAOYSA-N 477.156 4.531 50 10 JJGE C#CCN1CCC[C@@H](NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C1 1644638884 ZRZIDIHBKZBDCK-JAORQVBISA-N 455.389 4.522 50 10 JJGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(O)cc1)CCC2 1772744751 IZDDGLRSLSEUFC-UHFFFAOYSA-N 451.910 4.978 50 10 JJGE Cc1ccnc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)c1 1772749121 WXNHCLLNDKRWHE-UHFFFAOYSA-N 481.896 4.576 50 10 JJGE COc1ccccc1NCCC(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866888904 CDVGQTUWGFGLJG-DEOSSOPVSA-N 460.559 4.567 50 10 JJGE C[C@H]1[C@H](C)[C@@H](NCCSSCCNC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 1903284930 UXMHZSXFNKJXOV-ULQDDVLXSA-N 463.710 4.516 50 10 JJGE C[C@@](CCl)(CI)OCc1cc(I)ccc1Cl 1904943230 UJLRWIPMCYAFDC-LLVKDONJSA-N 484.930 4.894 50 10 JJGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)Cc1ccccc1I 1914656879 JTWOIMCDMBFTCR-CQSZACIVSA-N 472.164 4.646 50 10 JJGE CCC(CBr)(CBr)NC(=O)c1cscc1OCc1ccccc1 1939525736 AFGDTGASWCRNSS-UHFFFAOYSA-N 461.219 4.996 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2C[C@H]1CC[C@@H]2Br 2088645831 DJPOFMNUTBROCP-UISBYWKRSA-N 451.984 4.600 50 10 JJGE CC1(C)C[C@H](Br)CCN1C(=O)c1c(Br)cccc1Br 2113593930 PCDDEYLPXBTSFC-SECBINFHSA-N 454.000 4.990 50 10 JJGE C[C@H]1C[C@@H](CBr)CCN1C(=O)c1c(Br)cccc1Br 2115831134 HXVRHEDWLGUJEC-UWVGGRQHSA-N 454.000 4.847 50 10 JJGE O=S(=O)(c1cc(CBr)c(Cl)cc1Cl)N1CC[C@@H](OCc2ccccc2)C1 2123251293 GNEVEOZTKHEKCE-OAHLLOKOSA-N 479.223 4.868 50 10 JJGE O=C(N[C@@H]1CCC[C@@H]1CCCl)c1ccc(Br)cc1I 2142280171 ZZBITHVYWGFTOB-NOZJJQNGSA-N 456.549 4.581 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H]2[C@@H](Br)CCC[C@H]2C1 2150957387 DFQCHMJQOQYMPE-TUAOUCFPSA-N 468.560 4.580 50 10 JJGE Cn1nc(CC(CBr)(CBr)C2CCOCC2)c(Br)c1Cl 2152988672 YRCHHUQZGBYMEG-UHFFFAOYSA-N 493.465 4.581 50 10 JJGE CCOC(=O)C12CC(CI)(C1)O[C@H]2c1ccc(NC(=O)OC(C)(C)C)cc1 2162150938 ZOZKQGWOAQVZEW-VMEOHVCESA-N 487.334 4.622 50 10 JJGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)c(CBr)c1 2179791701 VFJMXNBLSHWTQE-SFHVURJKSA-N 471.848 4.520 50 10 JJGE CC(C)[C@H]1[C@@H](Br)CCN1c1ncc(C(F)(F)F)cc1I 2182484876 ADGKVZATWIGGMQ-ONGXEEELSA-N 463.079 4.703 50 10 JJGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)c1Br 2201079330 RTALCXQFTPYDAA-HFGIQWQSSA-N 487.051 4.555 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@H](Cl)C2)c1ccc(I)c(Br)c1 2204574068 KORCGRGPDHSXNY-TWOBJEBXSA-N 468.560 4.580 50 10 JJGE Cc1ccc(I)c(C(=O)N[C@@]2(CBr)CCC[C@H](C)C2)c1 2240912262 HLMSYWAZGPBKHH-LRDDRELGSA-N 450.158 4.673 50 10 JJGE C[C@H](NC(=O)c1ccc(Cl)c(I)c1)[C@H]1CCC[C@@H]1Br 2268351144 FKRJITRRTULDOC-GDPRMGEGSA-N 456.549 4.627 50 10 JJGE COc1ccc(NC(=O)C(C#N)=Cc2ccc(OCCOc3cccc(OC)c3)c(OC)c2)cc1 2293544113 CIBKNTYRCRQCKT-UHFFFAOYSA-N 474.513 4.716 50 10 JJGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2)cc1)C(=Cc1cccs1)NC(=O)c1ccccc1 2293968632 MATZHVMTRBTCBZ-UHFFFAOYSA-N 495.560 4.889 50 10 JJGE C[C@H]1C[C@@H](Br)[C@H](C)CN1C(=O)Cc1cc(Br)cc(Br)c1 2295309742 NEKVBIRKSKAPBV-ISTVAULSSA-N 468.027 4.775 50 10 JJGE COCCn1c(C)cc(C=C(C#N)C(=O)OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1C 2297335834 PRPBNVBBCVSILX-UHFFFAOYSA-N 483.874 4.512 50 10 JJGE FCC12CC([C@H](Br)c3sc(Cl)cc3I)(CO1)C2 2301081347 OBTXSCOANPCRJQ-KPPDAEKUSA-N 451.526 4.961 50 10 JJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)C=Cc3ccc([N+](=O)[O-])cc3)cc2)cc1 2313862327 QWUAZJCEVGUETR-UHFFFAOYSA-N 486.528 4.619 50 10 JJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)NCc1ccccc1 2314522366 FXBODIPHFOXVOE-UHFFFAOYSA-N 462.509 4.534 50 10 JJGE Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1 2314753315 ZLNRONZJRPFOHX-KRWDZBQOSA-N 464.905 4.838 50 10 JJGE N#CC(=CNCCc1ccc(Br)cc1)C(=O)NC(c1ccccc1)c1ccccc1 2324837794 VDRBAUQKGOWNLP-UHFFFAOYSA-N 460.375 4.894 50 10 JJGE COc1cc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)ccc1OCc1ccccc1F 2328835359 YPLWFKOLXZPLTQ-UHFFFAOYSA-N 487.572 4.949 50 10 JJGE CCN(C[C@@](C)(CI)OC[C@@H]1C[C@H]1C1CCOCC1)C(=O)OC(C)(C)C 2332865272 FCMUNUSGXZAZPR-ABSDTBQOSA-N 481.415 4.516 50 10 JJGE CC(C)(C)n1c(CBr)nnc1-c1ccc(Cl)cc1I 2340058025 MQWBKDFZKAXLAC-UHFFFAOYSA-N 454.537 4.853 50 10 JJGE CN(C(=O)c1ccc(Cl)cc1I)C1CCC(CBr)CC1 2365581121 BTMJYPIRITWEEN-UHFFFAOYSA-N 470.576 4.970 50 10 JJGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCc2ccccc2)ccc1Cl 33744870 BFLFWWZRFUAQMP-ZHZULCJRSA-N 484.943 4.980 50 10 JJGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(C)c3C)ccc21 38650538 KSUWSYNXFZRXOH-MHZLTWQESA-N 470.525 4.905 50 10 JJGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccccc2C)c1 39993033 ALNISOZRDQFLKO-HMMYKYKNSA-N 450.498 4.958 50 10 JJGE Cc1ccc(Oc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1C 40659571 UWKYYLBPLLLZHC-UHFFFAOYSA-N 478.292 4.623 50 10 JJGE CCCc1nn2c(=O)cc(COc3ccc(/C=C(/C#N)c4nc5ccccc5[nH]4)cc3)nc2s1 50807334 TZXDLWHBNULRPD-ATVHPVEESA-N 468.542 4.623 50 10 JJGE COc1ccc(O)c(/C=N/NC(=O)c2ccccc2OCc2ccc(Br)cc2)c1 96095910 QGCWZHMTJDIZAJ-ZMOGYAJESA-N 455.308 4.506 50 10 JJGE COc1ccc([C@H](C(=O)NC2CCCCCC2)N(CCc2ccccc2)C(=O)CCl)cc1 97915017 ZRBLCBOROREJLB-RUZDIDTESA-N 457.014 4.885 50 10 JJGE CCOc1ccc(NC(=O)c2csc(I)c2)cc1CBr 124235843 UPCKQDUTOKBGFL-UHFFFAOYSA-N 466.138 4.899 50 10 JJGE CC(C)C[C@H](CBr)NC(=O)c1cc(I)ccc1Br 232626354 YDIREGINSXHQFV-SNVBAGLBSA-N 488.989 4.593 50 10 JJGE C[C@@]1(CI)CC[C@@H](c2c(Br)cncc2Br)O1 394511569 BGLMGAJVUUQLIX-ONGXEEELSA-N 460.935 4.652 50 10 JJGE CN(C(C)(C)CCBr)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 688318920 JRFVEEFOBCFBBP-UHFFFAOYSA-N 468.038 4.940 50 10 JJGE Cc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccccc1Br 1084169225 RCSXHWUCYDVSEJ-QFIPXVFZSA-N 454.368 4.821 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cc(C(=O)O)ccc3Cl)c2C)cc1 1084605023 UBMNUFMGHVPOSA-DEOSSOPVSA-N 497.979 4.808 50 10 JJGE CC1(C)[C@H]2CC[C@]1(C)C(=NNC(=O)CSc1nnc(-c3ccc(F)cc3)n1C[C@@H]1CCCO1)C2 1087755523 DAKXHKNGCPLQTM-FXJWSJNKSA-N 485.629 4.674 50 10 JJGE O=C(Nc1ccc(F)cc1[N+](=O)[O-])Oc1c(Br)cc([N+](=O)[O-])cc1Br 1088693498 FAGFFWIIFDVLEI-UHFFFAOYSA-N 479.012 4.778 50 10 JJGE N#CC1=C2Sc3ccccc3N2C(N)=C(C(=O)c2ccccc2)[C@H]1c1ccc2c(c1)OCO2 1088719478 JZZGTTLCUQVSOQ-QFIPXVFZSA-N 451.507 4.913 50 10 JJGE O=C(COc1ccccc1)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 1772752248 DIZGODKCWKRISE-UHFFFAOYSA-N 498.764 4.549 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1O 1865682107 GFFVFJNNDVYOMN-QGZVFWFLSA-N 476.842 4.536 50 10 JJGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865692073 AELOGJLORFSVOE-JOCHJYFZSA-N 462.525 4.648 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1OC 1865695186 MFZNNDUIQNUEFA-IBGZPJMESA-N 470.451 4.825 50 10 JJGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OC(C)C)c(OC)c1 1865696332 DTGAAESFKFCXHG-JOCHJYFZSA-N 460.534 4.593 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865703948 JJHVKUKRSVSRKI-HSZRJFAPSA-N 496.498 4.662 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)c(OC)c1 1865707796 GOBMMAOMGVVJLT-FQEVSTJZSA-N 484.478 4.802 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865711975 MOLQJJAXZVKEDC-XMMPIXPASA-N 482.515 4.973 50 10 JJGE COc1cc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc(OC)c1OC 1872756801 BGIXYXDXVAZJBE-ZZEZOPTASA-N 493.585 4.984 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCN(Cc2ccccc2)CC12CCC2 2010826238 YPRASSZTDSRVKX-OAQYLSRUSA-N 465.729 4.927 50 10 JJGE COc1cc(C=C(C#N)c2nnc3n2CCCCC3)ccc1OC(=O)c1ccc2ncccc2c1 2053611977 VTUJXRQOISXHCV-UHFFFAOYSA-N 465.513 4.845 50 10 JJGE O=C(NC1CC([C@H](F)CBr)C1)c1cc(Br)c(Br)s1 2078362662 WOKAQNQQELBVRF-NPWHJSNTSA-N 463.992 4.515 50 10 JJGE COc1c(Br)cc(C)cc1[C@H](Br)c1cnn(C)c1Br 2139006267 RPNYJHMDKYHNGC-NSHDSACASA-N 452.972 4.746 50 10 JJGE CC1(C)CCC[C@@]1(CCl)NC(=O)c1cc(I)ccc1Br 2150543201 RFSBUYMXYYPKFQ-HNNXBMFYSA-N 470.576 4.971 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@@H](C(F)(F)F)[C@@H](CBr)C1 2163357806 FKJZUDIOKDMRBZ-NTSWFWBYSA-N 499.972 4.919 50 10 JJGE O=C(c1cccc(Br)c1Br)N1[C@H](CBr)C[C@H]2CCC[C@@H]21 2164661231 AWDZRLZUFBZZCK-NRUUGDAUSA-N 466.011 4.990 50 10 JJGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3cn(C)nc3Br)c2O1 2173183902 SHGBKJQSTVGDKA-MADCSZMMSA-N 464.983 4.753 50 10 JJGE Cc1cc(C(=O)N[C@@H]2C[C@H](Br)CC(C)(C)C2)ccc1I 2207106316 WZIMMZRHCBUWOJ-QWHCGFSZSA-N 450.158 4.672 50 10 JJGE CN(C(=O)c1cc(Br)c(Br)s1)[C@@H](CBr)CC1CC1 2219032886 XXICSHDPNOHBGQ-MRVPVSSYSA-N 460.029 4.909 50 10 JJGE C[C@@H]1OCCO[C@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272728149 JIMJQKGZABUMML-KGJILKGTSA-N 464.926 4.730 50 10 JJGE CN(C)C(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(Br)cc1 2313568186 PHMWBJYAJWYOQG-UHFFFAOYSA-N 464.157 4.786 50 10 JJGE FC(F)(CI)C(F)(F)CNCc1cc(Br)ccc1Cl 2336538231 FVRBROWZZJPACZ-UHFFFAOYSA-N 474.461 4.898 50 10 JJGE CC(C)CCN(CCBr)C(=O)c1ccc(Cl)cc1I 2340063646 AXMRCUHKJFWFST-UHFFFAOYSA-N 458.565 4.828 50 10 JJGE F[C@H]1[C@H](Cl)C[C@H]2CC[C@H]1N2Cc1ccc(I)c(Br)c1 2349835019 ILKGIAQOVMMJNY-IMJCEVDSSA-N 458.540 4.736 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@@](C)(=O)=NC[C@@](C)(CBr)C(C)(C)C)C1 2352081071 MUWNEGPZZXYFBY-KOXKUGEPSA-N 453.487 4.835 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CC[C@@H]2CC[C@H](Br)[C@H]1C2 2355760363 FGXBMNDAQCQAFW-DUFXMDAXSA-N 468.560 4.723 50 10 JJGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)NCc3ccco3)N(c3ccc(C)cc3)C2=O)cc1 935001 SHHHDWGMZPYKMV-GPSDDGMOSA-N 457.555 4.639 50 10 JJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(N3CCCCC3)o2)sc2c1CCCC2 14150892 NKCCXXWIXASUSZ-JQIJEIRASA-N 453.564 4.933 50 10 JJGE CC(C)c1ccc(-c2csc3[nH]c(SCC(=O)N/N=C/c4ccco4)nc(=O)c23)cc1 19651451 GQNDYWLNFPFFJH-AUEPDCJTSA-N 452.561 4.610 50 10 JJGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3ccc(OC)cc3)ccc21 38681867 VPYAOLNSUHPUNY-MHZLTWQESA-N 470.525 4.850 50 10 JJGE COc1ccc([C@H](Br)c2ccccc2I)c(OC)c1OC 40289940 RMTBGGZNHMGNDX-CQSZACIVSA-N 463.109 4.801 50 10 JJGE CCOc1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(OC)c1 40846856 VXGQSIJNTQHJQE-JFLMPSFJSA-N 468.937 4.855 50 10 JJGE C/C(=N\NC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccccc1 58990784 NCPNPUKCYKJODW-NHFJDJAPSA-N 455.587 4.685 50 10 JJGE Cc1nc2ccccn2c1C(=O)N/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21 59168975 BCDPIHDBCIZSCZ-HFTWOUSFSA-N 478.339 4.630 50 10 JJGE CC(C)([C@@H](Br)c1cc(Br)sc1Br)S(C)(=O)=O 69716372 NPMHELSWUVUNCE-ZETCQYMHSA-N 455.031 4.532 50 10 JJGE Cn1c(=O)n(C)c2cc([C@@H](Cl)c3cc(Br)c(Br)s3)ccc21 128560003 MBCCTDXWQYPRSF-GFCCVEGCSA-N 450.583 4.792 50 10 JJGE CCCOc1ccccc1/C=C(/C#N)C(=O)Oc1ccc(N2C(=O)c3ccccc3C2=O)cc1 206990995 HKJRVOZPXLBMPZ-MNDPQUGUSA-N 452.466 4.789 50 10 JJGE O=C(Nc1nc(CCl)cs1)c1cc(I)ccc1Br 236040117 HEQBPNIYPBENFI-UHFFFAOYSA-N 457.518 4.501 50 10 JJGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/NC(=O)c1ccccc1Br 253566344 IUWNNEJQHVMEPD-PCLIKHOPSA-N 466.383 4.697 50 10 JJGE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNC(=O)COc2cc(C)ccc2C(C)C)o1 254818034 BBIKOSIEKNHFFM-UHFFFAOYSA-N 451.479 4.824 50 10 JJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 254869752 IIWLTZJTGYBMHU-UHFFFAOYSA-N 461.474 4.757 50 10 JJGE BrCc1ccc(Br)cc1N1CC[C@@H](N2CCN(Cc3ccccc3)CC2)C1 312687478 QBDDONAXHXOKTK-OAQYLSRUSA-N 493.287 4.741 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CCC[C@@H](CCl)CC1 378706067 PSTYDKIYTNTBBU-SNVBAGLBSA-N 456.549 4.535 50 10 JJGE O=C(CBr)c1cc(I)c(Br)cc1C(F)(F)F 575691788 OQIXEDBVLXGTSQ-UHFFFAOYSA-N 471.836 4.650 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2C[C@@H]2C(C)(C)C)CC1 705828849 SECPOPWUKNGGIS-CABCVRRESA-N 451.389 4.890 50 10 JJGE C[C@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)C(=O)Nc1cccc(Cl)c1 761380708 CNIQWISGYGVESW-AMRJIULGSA-N 473.920 4.595 50 10 JJGE Cc1cc(C)cc(N(CC(=O)NN=Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 1083990465 RFHPJQMPXOTTFV-UHFFFAOYSA-N 490.412 4.956 50 10 JJGE Cc1cccc(-n2c(SCC(=O)/C(C#N)=C3/Nc4ccccc4N3C)nc3ccccc3c2=O)c1C 1087641289 JKMQUQLXFBFOTP-QOMWVZHYSA-N 493.592 4.961 50 10 JJGE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1c(Cl)cccc1Br 1161586299 CAOAZOWOCANTBF-GFCCVEGCSA-N 453.164 4.582 50 10 JJGE O=C(NN=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(F)(F)C(F)(F)C(F)(F)F 1565518781 COQFZQQJNCZFSP-UHFFFAOYSA-N 461.677 4.791 50 10 JJGE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702510 BFVOLIJBSYWDFX-VWLOTQADSA-N 463.541 4.935 50 10 JJGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707250 RUGPEQUPDBNPKH-FQEVSTJZSA-N 468.916 4.609 50 10 JJGE C[C@H]1CC[C@@](CCl)(NC(=O)c2ccc(I)c(Br)c2)C1 1880930658 DHGIXUCLZVKACQ-LKFCYVNXSA-N 456.549 4.581 50 10 JJGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C(F)(F)F 1892593979 TYVNUGSHDVSSHC-JHJVBQTASA-N 475.346 4.853 50 10 JJGE CCCc1nc(Br)c(Br)n1CC(C)(C)CI 1904646824 NBGBLDMBKAVOOF-UHFFFAOYSA-N 463.983 4.822 50 10 JJGE O=C(NCC[C@H]1CCC[C@H]1Br)c1ccc(I)c(Cl)c1 1913722112 UJGUBZRLHGIARL-MWLCHTKSSA-N 456.549 4.628 50 10 JJGE CCC(CC)(CBr)CN=[S@@]1(=O)CC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 2106788868 UFEJZPZDICQDTA-NIYFSFCBSA-N 451.471 4.829 50 10 JJGE BrCCO[C@@H]1CCCN(Cc2cccc(Br)c2Br)C1 2113855549 DOXTVOKJQYCYEG-GFCCVEGCSA-N 456.016 4.588 50 10 JJGE C[C@@H](Br)CN1CCCN(Cc2cc(Br)ccc2Br)CC1 2176833636 ZPAJQTMDIMWOGP-GFCCVEGCSA-N 469.059 4.503 50 10 JJGE CCc1ccc(S(=O)(=O)N2CCC[C@@H](OCc3ccccc3)C2)cc1CBr 2186381064 MUHBGNCGFKUWLK-HXUWFJFHSA-N 452.414 4.514 50 10 JJGE Brc1ccccc1[C@@H](CI)OC[C@@H]1CC12CCOCC2 2198366684 NQMWOWWUFOCCFP-SWLSCSKDSA-N 451.142 4.759 50 10 JJGE Cc1ccc(I)c([C@@H](Br)c2cc(S(C)(=O)=O)cs2)c1 2232221764 CSVMYHDLLNPEMK-CYBMUJFWSA-N 471.179 4.549 50 10 JJGE BrC[C@@H]1CC[C@H]2CN(Cc3ccc(Br)cc3Br)C[C@H]2O1 2289185931 JUPKFNFKPHYOTR-CORIIIEPSA-N 468.027 4.586 50 10 JJGE CC1(C)OCCO[C@H]1[C@H](Br)c1sc(Cl)cc1I 2300949271 JWVALPLGGZTPFV-SCZZXKLOSA-N 451.551 4.636 50 10 JJGE Cc1ccc(Br)cc1C(=O)N[C@H](CCBr)COCc1ccccc1 2303537138 DSVQKNYDHKZAIK-QGZVFWFLSA-N 455.190 4.858 50 10 JJGE COc1cc(C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314616772 JJXBFQTZBAKZEW-UHFFFAOYSA-N 460.505 4.948 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(N3CCCCC3)o2)sc2c1CCCC2 2314646774 NKCCXXWIXASUSZ-UHFFFAOYSA-N 453.564 4.933 50 10 JJGE C=CC[C@@H](Br)[C@@H]1CCN1C(=O)c1c(Br)cccc1Br 2335817487 KLXRUQKJJJLEDG-SKDRFNHKSA-N 451.984 4.766 50 10 JJGE CC(C)[C@@H]1C[C@H](Br)CN1C(=O)c1ccc(Cl)c(I)c1 2344768386 HOLRYKVZRYZCNX-GWCFXTLKSA-N 456.549 4.579 50 10 JJGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1cccc(O)c1 12491487 QXLGSIZSKMNAGD-LSHDLFTRSA-N 478.140 4.600 50 10 JJGE CCc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)c(Br)c1 14038741 QGQCMSDSVHHSMP-QGZVFWFLSA-N 497.389 4.672 50 10 JJGE Cc1ccc(/C=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)o1 58990652 KNVAAZJJOUZMAU-ZXVVBBHZSA-N 473.602 4.977 50 10 JJGE CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)c1C 97657758 KBJGWOQVISVUOA-NDENLUEZSA-N 478.574 4.736 50 10 JJGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 101337348 IIKKUWDEYYVYBL-UKKLRFBMSA-N 462.933 4.690 50 10 JJGE COc1ccc(/C=C(/C#N)C(=O)Oc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2OC)cc1 206185995 FVYNBHSSBCECRC-UYRXBGFRSA-N 465.461 4.679 50 10 JJGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)c(OC)c1 206397117 KFPQAUVKVQXNNG-TZOKSIDISA-N 498.535 4.555 50 10 JJGE CCCOc1ccccc1/C=C\C(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OC 207004167 OMZDBVVDMMQCAS-UHWZNUCSSA-N 486.524 4.919 50 10 JJGE CC(C)(C)OC(=O)COc1ccc(C=NNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 254291381 BBVUTKQYBCQTSO-UHFFFAOYSA-N 499.611 4.729 50 10 JJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cc(C(C)C)ccc3C)cc2)cc1OC 254699941 SXINUCPQSJLYOE-UHFFFAOYSA-N 490.556 4.884 50 10 JJGE C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl 575627180 PGAGVJAYRDPYKY-CGOXZFRCSA-N 484.976 4.668 50 10 JJGE BrCC(CBr)(Cc1ccncc1Br)C1CCOCC1 702867871 MHJRVADAPOAKAQ-UHFFFAOYSA-N 456.016 4.589 50 10 JJGE CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C 728258734 CTSXWQWHPGUYMU-JLPGSUDCSA-N 472.564 4.891 50 10 JJGE CCOC(=O)CCN(Cc1cccnc1)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C 743837613 DENQTYUYZFYZTG-HAHDFKILSA-N 474.536 4.517 50 10 JJGE C=CCOc1c(Br)cc(C=NNC(=O)c2ccccc2Br)cc1OC 812370765 GCRGNRFDEZGKCR-UHFFFAOYSA-N 468.145 4.549 50 10 JJGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)NN=C(C)c1ccc(Br)cc1 1083995886 UKKWEKKVEDOVTG-UHFFFAOYSA-N 498.450 4.644 50 10 JJGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNC(=O)c1ccccn1)CCC2 1772746864 HUUZIMDJWQYYEP-UHFFFAOYSA-N 479.540 4.937 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)ccc1OCCc1ccccc1 1865688237 NOOWSQBPKWHMMX-VWLOTQADSA-N 478.552 4.935 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)c1OC 1865701222 PHOLBLBVNYRUAZ-KRWDZBQOSA-N 490.869 4.839 50 10 JJGE C[C@@H](CCCl)N(Cc1ccccc1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 1901045058 RXHHJWABDDLBLW-FQEVSTJZSA-N 491.053 4.692 50 10 JJGE CN(C[C@@H](Cl)COCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1Cl 1916333691 WXJHQWPPXAXQNS-OAHLLOKOSA-N 467.212 4.547 50 10 JJGE O=C(Nc1cc(I)ccc1Br)[C@H](Br)C1CCCC1 2048138854 DVMPPUQDLMTPEX-GFCCVEGCSA-N 486.973 4.946 50 10 JJGE CCN(C[C@@](C)(CI)OC[C@@H]1CCC(C)(C)CO1)C(=O)OC(C)(C)C 2076725278 MFTWTVVEBVKQES-HNAYVOBHSA-N 469.404 4.659 50 10 JJGE FC(F)(F)c1c(I)c(CCl)nn1Cc1cccc(OC2CC2)c1 2079208812 WRKOHSRSGSZMQL-UHFFFAOYSA-N 456.633 4.835 50 10 JJGE CCn1ncc(Br)c1[C@@H](Br)c1cc2c(cc1Br)OCC2 2150662408 CCWLLTLSUUEJRZ-ZDUSSCGKSA-N 464.983 4.847 50 10 JJGE O=S(=O)(c1cc(Cl)c(Br)s1)N(CCBr)Cc1ccsc1 2171095739 QIMIMDFBAORMOV-UHFFFAOYSA-N 479.668 4.811 50 10 JJGE C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)CC[C@@H]1CCBr 2172480486 WTNXVTOEXOHRRK-BDAKNGLRSA-N 465.660 4.596 50 10 JJGE CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)F)N(Cc2ccc(CBr)cc2)CC1 2182844219 AYPRBNQYTYJNQX-MRXNPFEDSA-N 451.327 4.955 50 10 JJGE Cc1cc(C(=O)N[C@@]2(CBr)CCCC2(C)C)ccc1I 2207096402 KBDNNKYGDZMANY-MRXNPFEDSA-N 450.158 4.673 50 10 JJGE Cc1cc(C=C(C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(I)cc1 2294956773 AZMSOVZAPLMGFK-UHFFFAOYSA-N 481.337 4.922 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)c(Cl)c(C)c1 2314737468 NOGGLJCPEDWILK-UHFFFAOYSA-N 494.931 4.766 50 10 JJGE COc1cc(C=NNC(=O)Nc2cccc(Cl)c2)cc([N+](=O)[O-])c1OCc1ccccc1 2323831825 IAEHGXFKFPKEFO-UHFFFAOYSA-N 454.870 4.991 50 10 JJGE Brc1cc2c(cc1[C@@H](Br)c1cnsc1Br)OCCO2 2337304501 UMIPHHOMMKTMHM-LLVKDONJSA-N 469.980 4.924 50 10 JJGE CC(C)[C@H]1[C@H](Br)CCN1C(=O)c1ccc(Cl)cc1I 2340056446 DZLMGWFEVAWOJI-YPMHNXCESA-N 456.549 4.579 50 10 JJGE CN(C(=O)c1ccc(Cl)cc1I)[C@H]1CCCC[C@@H]1Br 2340058778 SSPLEYWIRYZJJC-AAEUAGOBSA-N 456.549 4.723 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]([S@@](C)(=O)=NC[C@](C)(CBr)C(C)(C)C)C1 2352081482 NWKPWSRIOMKWHJ-SRPFZCJZSA-N 453.487 4.931 50 10 JJGE CCC[C@H]1CN(C(=O)c2ccc(Cl)cc2I)C[C@@H]1CBr 2365586107 IKKCZWAOPJCQJY-QWRGUYRKSA-N 470.576 4.828 50 10 JJGE FC(F)(F)[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@H]1CCl 2377323014 AMXGLXLYZCVYIK-NXEZZACHSA-N 482.509 4.903 50 10 JJGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1 38700679 YFOXOUJTDABSTI-DEOSSOPVSA-N 482.517 4.952 50 10 JJGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1 39992844 TWFFLDGMQWRVON-HMMYKYKNSA-N 450.498 4.958 50 10 JJGE COc1ccccc1NC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2C)nc2c(C)cccn2c1=O 39993145 AFEHSIZLRQIZLW-HMMYKYKNSA-N 480.524 4.966 50 10 JJGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccncc3)CCC4)c2n1 40814038 QQUNFGFKZLZPNG-VUTHCHCSSA-N 454.486 4.529 50 10 JJGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1/C(=N\NC(N)=O)CC(C)(C)C2 101110240 YVDPKKUISYRGLG-ANYBSYGZSA-N 458.562 4.775 50 10 JJGE O=S(=O)(N[C@@H]1CCCC[C@H]1Br)c1c(Cl)cc(Br)cc1Cl 136951967 SBVCDEYAHPAHEW-LDYMZIIASA-N 466.022 4.740 50 10 JJGE C[C@@H]1CN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2ccc(Oc3ccccc3)cc2)CCN1 207966921 YTTGZVDAXFOYEO-HOYKHHGWSA-N 484.021 4.674 50 10 JJGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)C1=O 214262151 VSZQVTGSGXQZLW-XHFXOGKZSA-N 466.541 4.939 50 10 JJGE BrC[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccccc1I 382688967 ORXPPWJQIIRVEM-RDJZCZTQSA-N 456.165 4.902 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(F)c(F)c2)[C@@H](CI)C1 382696102 KSLUIWWOXFNRSS-JKSUJKDBSA-N 457.258 4.752 50 10 JJGE CC(C)[C@@](C)(CBr)NC(=O)c1cc(I)ccc1Br 398560479 LZLLMVYINZIYNX-CYBMUJFWSA-N 488.989 4.593 50 10 JJGE O=C(CBr)c1c(C(F)F)ccc(I)c1Br 575688093 ZVQNCOJCJHLKQK-UHFFFAOYSA-N 453.846 4.569 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H](CBr)[C@H](C(F)(F)F)C1 709806078 ZJKBECMZNCNDAJ-PHDIDXHHSA-N 499.972 4.919 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H]2C[C@H](Br)C[C@H]1C2 709806764 LUGGLNRHKZZXQD-BIIVOSGPSA-N 458.013 4.661 50 10 JJGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3cn(C)c(Br)n3)c2O1 720044388 RKNZKKLBLKJTBX-JMCQJSRRSA-N 464.983 4.753 50 10 JJGE CCN(C(=O)c1ccc(I)c(Br)c1)C(C)(C)CBr 721512763 YCCMKPCXAVMNOH-UHFFFAOYSA-N 488.989 4.689 50 10 JJGE O=C(NC[C@@H]1CCC[C@H](Cl)C1)c1ccc(I)c(Br)c1 721614245 ADVQGYLPPQXHOY-KOLCDFICSA-N 456.549 4.581 50 10 JJGE O=C(N[C@@H](CCBr)C1CCCCC1)c1ccccc1I 725037913 QYEFWFXWZPYZNN-HNNXBMFYSA-N 450.158 4.755 50 10 JJGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)NN=Cc1cccc(Cl)c1 1084555593 VWRPYDWETHGKAM-UHFFFAOYSA-N 476.993 4.775 50 10 JJGE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 1472473231 MLOCLMDBGDUCDV-UGEDRFTOSA-N 458.436 4.757 50 10 JJGE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NNc2cccc(F)c2)ccc1Cl 1545949290 OSOYEIUNEDMGGW-UHFFFAOYSA-N 459.930 4.617 50 10 JJGE CCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 1772720225 JLCIISVSGVJNBV-UHFFFAOYSA-N 456.539 4.742 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1O 1865682130 GVRDBUKJAFMHTF-HSZRJFAPSA-N 468.488 4.670 50 10 JJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)c1 1865692461 MHHRSNNDLGVNNT-GOSISDBHSA-N 490.869 4.839 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1cccnc1 1865700210 NEQHMYLTOQGFAO-HNNXBMFYSA-N 466.250 4.870 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@@H]2COC3(CCCCC3)C2)C1 1879030761 WKWGCZVCLLWXQQ-JXFKEZNVSA-N 479.399 4.700 50 10 JJGE COc1cc(C)c([C@@H](Br)c2cnn(C)c2Br)cc1Br 1901674612 KXHQNZHBUSSWGS-GFCCVEGCSA-N 452.972 4.746 50 10 JJGE O=C(N[C@@H](CCBr)C(F)(F)F)c1c(Br)cccc1Br 1918520191 LIRBRUOBCFVXDG-QMMMGPOBSA-N 467.905 4.657 50 10 JJGE CS(=O)(=O)C1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1 2002551839 PTMKUJLJHMUKKC-LURJTMIESA-N 487.460 4.940 50 10 JJGE CC(C)[C@@H]1[C@H](Br)CCN1C(=O)c1cc(Br)c(Br)s1 2062179352 OVZGLPUUYCLBSW-GMSGAONNSA-N 460.029 4.907 50 10 JJGE CC(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1cc(Br)c(Br)s1 2062179353 OVZGLPUUYCLBSW-OIBJUYFYSA-N 460.029 4.907 50 10 JJGE CC(C)[C@H]1[C@@H](Br)CCN1C(=O)c1csc(Br)c1Br 2062182985 LKCOWSQBHFUZPW-WPRPVWTQSA-N 460.029 4.907 50 10 JJGE CC1(C)CC[C@H](CBr)N1C(=O)c1cc(Br)ccc1Br 2140850567 KOQKCNNYHNSNOO-SNVBAGLBSA-N 454.000 4.990 50 10 JJGE CC1(C)C[C@@H](CCl)CN(C(=O)c2cc(I)ccc2Br)C1 2172587229 VNAVRKKPJSEKOU-JTQLQIEISA-N 470.576 4.781 50 10 JJGE Cn1cc([C@H](Br)c2cc(Br)c3c(c2)CCCO3)c(Br)n1 2173183930 SIJLWJHBBORCPS-GFCCVEGCSA-N 464.983 4.754 50 10 JJGE C[C@@]1(CCBr)CCN(c2ncc(C(F)(F)F)cc2I)C1 2188434461 JIGCDPOTVWTYFU-GFCCVEGCSA-N 463.079 4.706 50 10 JJGE CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1CNC(=O)[C@@H](Br)C1CCCC1 2194002177 FRFHYCIFGWCKHI-RDJZCZTQSA-N 457.434 4.652 50 10 JJGE CN(C[C@@H]1C[C@@H]1Br)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(C(F)(F)F)c1 2196913148 CAEIITZBOHBJNK-AAEUAGOBSA-N 451.283 4.908 50 10 JJGE O=S1(=O)CCC[C@H]([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)C1 2201612588 BZQVTGFARQNLMP-QUBYGPBYSA-N 452.542 4.642 50 10 JJGE Cn1nc(Br)c([C@@H](Br)c2ccc(Br)cc2Br)n1 2214373682 SXKMQVLQBIEIEA-QMMMGPOBSA-N 488.803 4.587 50 10 JJGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCS(=O)(=O)C2)c(C)c1Br 2227350582 IEQRQHBSLKSYQV-RNCFNFMXSA-N 475.040 4.699 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@H](Br)Cc1cccc(Cl)c1Br 2242029925 WNELERSBJKPPRK-LLVKDONJSA-N 457.549 4.705 50 10 JJGE CC(C)CN(CCBr)C(=O)Cc1cc(Br)cc(Br)c1 2277917282 QASJUXJTGXXRHM-UHFFFAOYSA-N 456.016 4.634 50 10 JJGE BrCc1csc(OCc2ccc(I)c(Br)c2)n1 2306306695 IESFRDDRKWXJMZ-UHFFFAOYSA-N 488.970 4.984 50 10 JJGE N#CC(=Cc1cn(Cc2ccccc2)c2ccc(Br)cc12)C(=O)NC[C@H]1CCCO1 2313624625 YSEZQYZZFLEWOF-OAQYLSRUSA-N 464.363 4.654 50 10 JJGE FC(F)(F)C[C@@H](CBr)NCc1ccc(Cl)c(I)c1 2315553148 ODBZXKSMXWBAEB-QMMMGPOBSA-N 456.471 4.750 50 10 JJGE BrCc1ccncc1OCc1cc(I)ccc1Br 2319167651 UUKPMCDPUPCWKY-UHFFFAOYSA-N 482.941 4.923 50 10 JJGE CC(C)C[C@H](CBr)CN=[S@](=O)(C(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2353823832 GMEAVWDRNURGTN-XJCBTKLQSA-N 453.487 4.929 50 10 JJGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3c(Br)ncn3C)c2O1 2362433637 YTTIATPQEHSJMX-HQJQHLMTSA-N 464.983 4.753 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CCC[C@@H](CCCBr)C1 2365585489 BMHYRKJZHHUPAS-LLVKDONJSA-N 470.576 4.972 50 10 JJGE CC1(C)CCCN(C(=O)c2ccc(Cl)cc2I)[C@H]1CBr 2365592410 PWVMYXLRSHSLKL-ZDUSSCGKSA-N 470.576 4.970 50 10 JJGE COc1ccc(/C=N/N(C(=O)c2cccc(N3C(=O)CCC3=O)c2)c2nc3ccc(C)cc3s2)cc1 9628840 SVCFXBBZTSGXQG-LQKURTRISA-N 498.564 4.948 50 10 JJGE CCc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccccc2[C@H](C)CC)c(Br)c1 9873612 JXXVIFBHDFVSQP-CVEARBPZSA-N 477.399 4.519 50 10 JJGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 10683763 LITMVZDKAHATQH-KDOFPFPSSA-N 497.817 5.000 50 10 JJGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1 16739774 QVYKINCZMPCHJM-SCIJIFGBSA-N 477.973 4.984 50 10 JJGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 33378265 FPNQWEQEWLQXGE-YBEGLDIGSA-N 450.476 4.671 50 10 JJGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)ccc1Cl 38654846 YQOPQOFKNNXFSK-XMMPIXPASA-N 491.887 4.759 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 38655038 XNEWBWBZEJYYPJ-QHCPKHFHSA-N 461.861 4.614 50 10 JJGE COc1ccc(/C=C(\C#N)C(=O)N(c2ccc(OC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 40971391 HSNAEEXGCYKTAU-OBGWFSINSA-N 482.945 4.686 50 10 JJGE O=C(N/N=C1\C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1ccc(Br)cc1 59148347 KNYHIDBXABODMK-ZVBBRHTMSA-N 460.331 4.643 50 10 JJGE C#CCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1Br 59165508 DSJRKBDWQFZHCX-OGLMXYFKSA-N 490.401 4.614 50 10 JJGE O=C(N/N=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1ccc([N+](=O)[O-])cc1 59471813 TVURUFVVUHVAPN-QQTULTPQSA-N 469.284 4.583 50 10 JJGE COc1cc(Br)c(Oc2c(CBr)c(C)nn2C)cc1Br 218338298 OLELDDOCLKNAAZ-UHFFFAOYSA-N 468.971 4.949 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2ccc(O)c(Br)c2)C1 382684603 BVUNTPJRXVCQTQ-HOTGVXAUSA-N 469.173 4.902 50 10 JJGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 1084017589 QLPNOQGYGVLFKE-VWLOTQADSA-N 456.502 4.562 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(Br)cc1 1084440868 QYSYECNMXOTDPS-UHFFFAOYSA-N 473.758 4.599 50 10 JJGE CN(C(=O)OC(C)(C)C)C1CCC(NCCSSCCNC(=O)OC(C)(C)C)CC1 1256665021 WEUFZDYZQCCIOF-UHFFFAOYSA-N 463.710 4.660 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccc([N+](=O)[O-])cc2Cl)C1 1614635989 MZHBXZWEZREQPJ-GXFFZTMASA-N 466.703 4.634 50 10 JJGE CCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc([N+](=O)[O-])c2)CCC3)cc1 1772746528 WWSOBMUPKYINHB-UHFFFAOYSA-N 460.490 4.781 50 10 JJGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865693494 WHALLUOTJBCUKR-QFIPXVFZSA-N 494.979 4.781 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1 1865694047 OOPMUEBVUVTLNX-SFHVURJKSA-N 458.415 4.706 50 10 JJGE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702205 PGWKAFNLUNWKQA-SFHVURJKSA-N 459.706 4.954 50 10 JJGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707420 WTFMWMSDYKYPNA-GOSISDBHSA-N 457.317 4.674 50 10 JJGE C[C@@H]([C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)S(C)(=O)=O 1899891454 GKAMNWTVKXTTFD-YVEFUNNKSA-N 462.203 4.897 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC2CC(C(F)(F)F)C2)C1 1947649913 FFCFRZGMKIQZPW-QOZQQMKHSA-N 463.278 4.549 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@]2(CCC[C@H](CI)O2)C(F)(F)CC1 2020325599 AAHDRWRCARUJRP-CZUORRHYSA-N 459.315 4.786 50 10 JJGE Cc1ccc(I)c(C(=O)N[C@@H]2CCCC[C@@H]2CCBr)c1 2240902381 ZIRUOUJPMPSNTJ-IUODEOHRSA-N 450.158 4.673 50 10 JJGE CC(C)CN(C[C@@H](C)Br)c1ncc(I)cc1Br 2250512423 XFPYCPCHCVQQKI-SECBINFHSA-N 475.994 4.695 50 10 JJGE C[C@@H]1C[C@@H](CBr)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2295312259 VUCHTCPEBKEWDK-MNOVXSKESA-N 468.027 4.776 50 10 JJGE Cc1cc(=O)oc2cc(OCC(=O)NN=Cc3cccc(OCc4ccc(Cl)cc4)c3)ccc12 2328804082 BQFQRWCDFUMFMW-UHFFFAOYSA-N 476.916 4.863 50 10 JJGE CCOC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1NC(=O)C(C#N)=Cc1ccc(F)cc1 2329641190 IOTMWNOODRWEJU-UHFFFAOYSA-N 497.324 4.805 50 10 JJGE CC1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CS(=O)(=O)C1 2337084381 KVGLXQVWJVIHRG-SNVBAGLBSA-N 499.421 4.875 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@]2(CBr)CC[C@H]1C2 2361579231 RLCOWLVEBRLMHA-ZFWWWQNUSA-N 466.011 4.530 50 10 JJGE CCn1nc(C)c(CBr)c1OCc1ccc(Cl)cc1I 2365648829 YUBJTFKAGZTYFH-UHFFFAOYSA-N 469.548 4.943 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@@H]2CCCCC23CCOCC3)C1 2368371283 JONZJJUCIPBBDL-UTKZUKDTSA-N 493.426 4.947 50 10 JJGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)cc1 14650735 KFYPNUSVFLMCJX-UHFFFAOYSA-N 490.398 4.687 50 10 JJGE C#CCOc1ccc(Br)c(/C=N/NC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 20311253 VLNOXAJHRHPOQE-FYHAJLKWSA-N 451.320 4.532 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@H]1c1cccc2ccccc12 38657689 WJDQSKHGJYHFAU-HHHXNRCGSA-N 493.475 4.951 50 10 JJGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OC)cc3)ccc21 40529682 BWKCCOUZSAJXRM-VWLOTQADSA-N 456.498 4.921 50 10 JJGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(C)cc2)CCC3)c1 40804471 ZHXMXHGRXXGKSV-TURZUDJPSA-N 461.518 4.636 50 10 JJGE Cc1c(C(=O)NCCC(C)C)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811826 VBNTVQZXYYKGHG-KOEQRZSOSA-N 460.372 4.597 50 10 JJGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812042 QYYRGTBTJSCRSP-ZXVVBBHZSA-N 451.910 4.978 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1 58893101 YQFKEJIUEHXGAF-RWFYVVHNSA-N 471.897 4.871 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1 58894387 KSQLBHUQSOBQKW-GSOYBGKMSA-N 497.979 4.808 50 10 JJGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCC 58895345 BWAVZJBGNZFWKB-FELXSTKCSA-N 454.567 4.575 50 10 JJGE CC(C)(C)SCC(=O)N/N=C1/C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 59146329 ODLUZLJMKHGDLE-NCELDCMTSA-N 450.391 4.892 50 10 JJGE O=C(N/N=C/c1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1)c1ccccc1 59386298 DORIAQQIBMIAQM-WPWMEQJKSA-N 466.522 4.894 50 10 JJGE Cc1cccc(OCC(=O)N/N=C2/C(=O)N(Cc3ccc(OCCC(C)C)cc3)c3ccccc32)c1 103041279 YJHKFZPPYQBWER-CCFHIKDMSA-N 485.584 4.866 50 10 JJGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3ccccc3Br)cc2[nH]1 109884375 SPQSFNDUGDFQEL-ZDUSSCGKSA-N 460.951 4.866 50 10 JJGE CC(C)(C)c1ccc(Cn2cccc(C(=O)N/N=C\c3ccc(C(F)(F)F)cc3)c2=O)cc1 169921161 BOCFUBWFSVOSSZ-FDVSRXAVSA-N 455.480 4.977 50 10 JJGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)OCC)cc2OCC)cc1 206311360 PCUQECLXTKXTEJ-URBBLPHHSA-N 474.513 4.857 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CCCCC[C@@H]1CCl 236036573 OGFNKHATSXHOFD-LLVKDONJSA-N 456.549 4.677 50 10 JJGE Cc1ccc(N(CC(=O)NN=Cc2ccccc2C(F)(F)F)S(=O)(=O)c2ccccc2)cc1C 254348017 GAUNIRJYVPBRLE-UHFFFAOYSA-N 489.519 4.668 50 10 JJGE Cc1ccc(-n2c(SCC(=O)NN=Cc3c(O)ccc4ccccc34)nc3ccccc3c2=O)cc1 254771554 XYYNAVPXTIXKRN-UHFFFAOYSA-N 494.576 4.795 50 10 JJGE CCOc1cc(C=NNC(=O)c2cccs2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 254841032 NBDMHFHLYOUXMW-UHFFFAOYSA-N 491.491 4.947 50 10 JJGE Cc1cc(COc2c(Br)cc(Br)cc2CBr)n(C)n1 381785876 ZDJRNNHEHWAEPT-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE CC(C)(C)C[C@H](CBr)NC(=O)c1ccc(I)c(Cl)c1 393486985 QVLKPBJSKITTQO-SNVBAGLBSA-N 458.565 4.874 50 10 JJGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1cnn(C)c1I 393656298 ULVUNIZUWQZYPY-SNVBAGLBSA-N 475.939 4.777 50 10 JJGE C[C@H](Br)[C@H]1CCCCN1S(=O)(=O)c1cc(Br)ccc1Br 688892714 XEZNJAMGAYWMDR-JOYOIKCWSA-N 490.055 4.538 50 10 JJGE CC(C)(C)C[C@H](Cl)CNC(=O)c1ccc(I)c(Br)c1 721617282 GXSHQWBHEMREIR-JTQLQIEISA-N 458.565 4.827 50 10 JJGE Cc1ccc(Cc2nnc(NC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)s2)cc1 731024705 FZCNGOFDIKLSCF-QNGOZBTKSA-N 479.569 4.760 50 10 JJGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2C)CCC3)c1 1772743643 HLUIZNFFAQMNSJ-UHFFFAOYSA-N 461.518 4.636 50 10 JJGE CCCOc1ccccc1/C=C/C(=O)NNC(=O)c1ccc(-c2ccc(F)c(F)c2)nc1C 1865757034 KDBBLQHALBUTKI-UKTHLTGXSA-N 451.473 4.598 50 10 JJGE COc1cc2nc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)cc3)nc(O)c2cc1OC 1872727634 PVUGHIGAJAEBES-LDADJPATSA-N 453.454 4.636 50 10 JJGE Clc1cc(CC(CBr)CBr)ccc1I 1907285588 KUMAAMHFDIFSRQ-UHFFFAOYSA-N 452.355 4.893 50 10 JJGE Cc1cc(C(=O)N(C)C[C@H](Br)COCc2ccccc2)ccc1Br 1916386134 JTBHVDQSUXGRPF-KRWDZBQOSA-N 455.190 4.810 50 10 JJGE O=S1(=O)CCC[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924608589 KOQLHEIRBDHISD-FFWSUHOLSA-N 487.460 4.893 50 10 JJGE C[C@H]1C[C@@H](Br)[C@H](C)CN1C(=O)c1cc(Br)c(Br)s1 2032199747 HLJZVTSAQJCXSG-GJMOJQLCSA-N 460.029 4.907 50 10 JJGE C[C@]1(CBr)CCCN(C(=O)c2csc(Br)c2Br)C1 2032956115 LJRBRIKVFIGOIA-GFCCVEGCSA-N 460.029 4.910 50 10 JJGE O=C(NC[C@@H](CBr)C(F)(F)F)c1cc(Br)sc1Br 2043324337 RLBVUFAQZZERGX-SCSAIBSYSA-N 473.934 4.576 50 10 JJGE CC(C)[C@H](Br)CN(C)C(=O)c1cc(I)ccc1Br 2048731713 RIEZWAPRFZJBBC-GFCCVEGCSA-N 488.989 4.545 50 10 JJGE CC1(C)C[C@@H](Br)CCN(c2ncc(I)cc2Br)C1 2069527434 BJQSKEZYZGILSP-VIFPVBQESA-N 488.005 4.839 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2cc(F)cc(F)c2)C1 2083846352 BZXISGFYOMODBO-GOSISDBHSA-N 467.294 4.686 50 10 JJGE O=C(N[C@@H]1CCC[C@H]1CCBr)c1cc(Br)cc(Br)c1 2090571061 GEUPHYGDMOWDDO-TVQRCGJNSA-N 454.000 4.895 50 10 JJGE O=C(N[C@@H]1CCC[C@H]1CCBr)c1cc(Br)ccc1Br 2090571749 KASYOBPMNNZRPO-TVQRCGJNSA-N 454.000 4.895 50 10 JJGE Cc1ncncc1COc1c(Br)cc(Br)cc1CBr 2122284113 ZVWJRRBKLCWXGS-UHFFFAOYSA-N 450.956 4.784 50 10 JJGE O=C(O)C=Cc1cc(Br)c(OC[C@H]2C[C@H](Br)C2)c(Br)c1 2196933639 LVNCIGMYPKTDEU-MGCOHNPYSA-N 468.967 4.862 50 10 JJGE BrC[C@@H]1C[C@@H]2OCCN(Cc3ccc(Br)cc3Br)[C@H]2C1 2199761197 BGMRLRKVIMWGPW-LKTVYLICSA-N 468.027 4.586 50 10 JJGE O=C(c1csc(Br)c1Br)N1[C@H]2CC[C@@H](Br)[C@H]1CC2 2222292807 BOXQZUBKIHSBFO-NBEYISGCSA-N 458.013 4.804 50 10 JJGE BrC[C@@]12CCCO[C@@H]1CN(Cc1cccc(Br)c1Br)C2 2239163454 PUAAPLNFDOMGHX-UKRRQHHQSA-N 468.027 4.588 50 10 JJGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3[N+](=O)[O-])SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2293038711 VSVDWUAOJJMFND-DEOSSOPVSA-N 498.564 4.646 50 10 JJGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 2313541147 WQRYJLRNPKJOJI-UHFFFAOYSA-N 482.945 4.970 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OC 2313555973 HLHVKDTUJVAECP-UHFFFAOYSA-N 468.351 4.604 50 10 JJGE CCCCCCCCOc1ccc(C=C2C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1OC 2314618941 XCBQQSRJVBVDNG-UHFFFAOYSA-N 454.567 4.673 50 10 JJGE CS(=O)(=O)c1sccc1[C@@H](Br)c1sc(Cl)cc1I 2316608026 YDHBXTUCPFVHCM-MRVPVSSYSA-N 497.626 4.955 50 10 JJGE COc1cc(Br)c(C)cc1[C@@H](Br)c1c(Br)ncn1C 2337330565 QRNBIWNBZSLTED-LLVKDONJSA-N 452.972 4.746 50 10 JJGE CC(C)CN1C[C@@H](Cl)[C@@H](Cc2ccc(I)c(Br)c2)C1 2349837040 PRTOXPZNHRJESO-GXTWGEPZSA-N 456.593 4.791 50 10 JJGE O=C(COc1cccc(Cl)c1)N/N=C/c1cccc(OC(=O)c2cccc(Br)c2)c1 3026709 RZFVVPZWAQDKMD-DHRITJCHSA-N 487.737 4.851 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@H]1c1ccccc1F 38652029 XMBNYKIIDDKNPG-HSZRJFAPSA-N 450.853 4.682 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc(OC)c1OC 38660620 OFDUKIJSLAGDTN-HSZRJFAPSA-N 492.915 4.803 50 10 JJGE Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)o1 59517419 SPVBVUATDVZGPH-LSHDLFTRSA-N 497.514 4.924 50 10 JJGE O=C(NCC1CCOCC1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237437 HFJGIUHXGQRNNT-IBGZPJMESA-N 474.932 4.623 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(C(=O)OC)cc3C)c2C)cc1 725420975 HDSASWGAAMKIAY-AREMUKBSSA-N 491.588 4.552 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)NCc2ccc(F)c(F)c2)c(-c2ccc(Cl)cc2)n1 914477034 CDYMIZWCEJIBRQ-GZTJUZNOSA-N 451.864 4.619 50 10 JJGE CC(=O)N(c1ccc(NC(=O)NNC(=O)c2cc3c(s2)CCCCCC3)cc1)[C@@H]1C[C@H]1C 1310777231 DBHBMYRTDXXVOM-FOIQADDNSA-N 454.596 4.635 50 10 JJGE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687414 QQPZMHXWQKZXPP-DEOSSOPVSA-N 458.562 4.907 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)ccc1OCCCc1ccccc1 1865696981 MIOAKPLOOUNAMU-HXUWFJFHSA-N 484.478 4.677 50 10 JJGE Cn1cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1c(F)cccc1Cl 1865698700 AREMBLOZUVJQGS-NRFANRHFSA-N 459.912 4.948 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccn1 1865700151 LWKWCJCJOLUPHR-CQSZACIVSA-N 452.223 4.811 50 10 JJGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865701004 JNNCRQCOOSRPJP-FQEVSTJZSA-N 468.916 4.522 50 10 JJGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1Cl 1865709848 ININPLVYAQTDTL-KRWDZBQOSA-N 460.843 4.830 50 10 JJGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)Cc2cc(-c3ccccc3)on2)c2ccccc2)cc1 1866914583 YERAOWSHHRQCTI-VWLOTQADSA-N 468.538 4.953 50 10 JJGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1 1872749785 IGBSMQMUZSTWRR-VZCXRCSSSA-N 490.497 4.596 50 10 JJGE CC1(NC(=O)c2cc(Cl)ccc2I)CCC(Br)CC1 1924736972 OGCAWISXBZXRNM-UHFFFAOYSA-N 456.549 4.771 50 10 JJGE CC1(C)CC[C@H](Br)[C@H](CNC(=O)c2ccccc2I)C1 1927050318 LQWYYZLOFQTRNF-AAEUAGOBSA-N 450.158 4.611 50 10 JJGE C[C@@H]1CN(C(=O)c2scc(Br)c2Br)[C@H](C)C[C@H]1Br 2032207032 KTUANARECCWQSU-BWZBUEFSSA-N 460.029 4.907 50 10 JJGE CN(CC(=O)c1cc(Br)sc1Br)CC1CC(Br)C1 2076261016 DSGDMJHCEZALSZ-UHFFFAOYSA-N 460.029 4.561 50 10 JJGE C[C@H]1CC[C@H](CBr)CN1C(=O)c1cccc(Br)c1Br 2092332417 FGJRTQKRTFWZQO-VHSXEESVSA-N 454.000 4.847 50 10 JJGE Cc1c([C@H](Br)c2cc3c(cc2Br)OCC3)nn(C)c1Br 2168219019 VWLWCERNVCFJSH-GFCCVEGCSA-N 464.983 4.673 50 10 JJGE Brc1ccccc1[C@H](CI)O[C@H]1CCN2CCC[C@@H]2C1 2199476480 SDZCWNJRGAOEAW-WWGRRREGSA-N 450.158 4.569 50 10 JJGE CC1(C)C[C@](C)(CCl)CN1C(=O)c1cc(Br)ccc1I 2199541633 SZXCNKCUEHQMAG-OAHLLOKOSA-N 470.576 4.923 50 10 JJGE ClCCCCCc1cn(-c2ccc(Br)cc2I)nn1 2231623881 PPGNNPDIURKEIG-UHFFFAOYSA-N 454.537 4.586 50 10 JJGE CC(C)(C)[C@@H](CBr)CNC(=O)c1ccc(Cl)c(I)c1 2268348556 UYVFHTYKSBCALT-JTQLQIEISA-N 458.565 4.732 50 10 JJGE O=C(c1c(F)cccc1I)N1CCCC[C@@H]1CCCBr 2282807496 JGHGKIHVAKZISX-LLVKDONJSA-N 454.121 4.600 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@H](Br)[C@@H]1C1CC1 2295311069 FXKYQDYPMMIWQZ-ZFWWWQNUSA-N 466.011 4.529 50 10 JJGE N#CC(=Cc1c(-c2ccccc2)nc2ccccn12)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2295841139 ROZWTFBYSYXMKU-UHFFFAOYSA-N 467.554 4.586 50 10 JJGE BrCCN(Cc1ccc(I)c(Br)c1)C1CCC1 2306231903 NYHGHOHIYMMZBT-UHFFFAOYSA-N 472.990 4.803 50 10 JJGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592447 UFIQSPLHLIEVEV-HSZRJFAPSA-N 473.529 4.899 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CSc2ccc(Cl)cc2)c(OC)c1 2314789618 PBKKMCWHNHBEDV-UHFFFAOYSA-N 458.967 4.870 50 10 JJGE C=CC[C@@H](Br)[C@H]1CCN1Cc1ccc(I)c(Br)c1 2325212456 DYVTUNAJDLIELH-BXUZGUMPSA-N 485.001 4.968 50 10 JJGE C[C@H]1c2ccc(CNC(=O)C(C#N)=Cc3cccc(Br)c3)n2CCN1C(=O)OC(C)(C)C 2329693183 QCAJZEGEBLEPIS-INIZCTEOSA-N 499.409 4.786 50 10 JJGE FC(F)(CBr)C(F)(F)CNCc1c(Br)cccc1Br 2336537778 AJPVEQLTVVQGNT-UHFFFAOYSA-N 471.912 4.967 50 10 JJGE COc1cc(/C=N/NC(=O)c2ccccc2OCc2ccccc2)cc(Br)c1O 13920959 ACEGTKXPPQLFCD-ZMOGYAJESA-N 455.308 4.506 50 10 JJGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)COc1ccccc1-c1ccccc1 13981638 UXNBKJKCPTXZER-UHFFFAOYSA-N 452.510 4.626 50 10 JJGE C=CCOc1c(I)cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1OC 33390644 WZWISWKVVLTUFZ-NVNXTCNLSA-N 462.243 4.837 50 10 JJGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)c1 38684364 MMDOAKPQJMVTJT-RUZDIDTESA-N 456.498 4.921 50 10 JJGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2OC)cc1Cl 38688653 OFMIEVHVFFFTQR-QHCPKHFHSA-N 492.915 4.803 50 10 JJGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813287 OUZXAWZLVHGPGR-WPWMEQJKSA-N 465.893 4.693 50 10 JJGE O=C(COc1ccccc1Br)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 40912297 KVWGFOHMHMBRQF-VULFUBBASA-N 462.347 4.981 50 10 JJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OCc3ccccc3F)c(OCC)c2)C1=O 214303572 CTNDZBAMTUIGSM-JCMHNJIXSA-N 492.547 4.822 50 10 JJGE O=C(NCC1CCC(Cl)CC1)c1cc(I)ccc1Br 227775933 XBXFBOZNKNEOMD-UHFFFAOYSA-N 456.549 4.581 50 10 JJGE O=C(N[C@@H]1CCCC[C@@H]1CBr)c1ccc(Br)cc1Br 231612629 UTFDHCMLIHUPIR-NOZJJQNGSA-N 454.000 4.895 50 10 JJGE O=C(NN=Cc1cc2c(cc1Br)OCO2)c1ccc(COc2ccc3c(c2)CCC3)o1 252623534 OTKUZEUHNOIITO-UHFFFAOYSA-N 483.318 4.602 50 10 JJGE COc1cc(C=NNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc([N+](=O)[O-])c1O 254668905 IAJFCVVEFMQISS-UHFFFAOYSA-N 471.554 4.693 50 10 JJGE Fc1cc2nc(CCl)n(C[C@@H]3CN(Cc4ccccc4)CCO3)c2cc1Br 312631794 MTEBZLMFNWFMAF-HNNXBMFYSA-N 452.755 4.578 50 10 JJGE COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)cc1Br 382685370 CYJCFWSALWFWRQ-STQMWFEESA-N 496.183 4.843 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccc(Br)c(F)c2)C1 382711951 ZIRHDQYQKOLICR-NEPJUHHUSA-N 484.147 4.974 50 10 JJGE COc1ccc(-c2nnc(COC(=O)/C(C#N)=C\c3cc(C)n(-c4ccc(F)cc4)c3C)o2)cc1 760043975 BISUVDBRXCNDID-MOSHPQCFSA-N 472.476 4.942 50 10 JJGE C=CCc1cccc(C=NNC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)c1O 1083909677 MHDOZNDIAJGIDP-UHFFFAOYSA-N 498.612 4.556 50 10 JJGE COc1cc(C(=O)NN=Cc2ccc(Sc3nc4ccccc4s3)o2)cc(OC)c1OC 1084548813 VKGHOXVLWKCVIR-UHFFFAOYSA-N 469.544 4.830 50 10 JJGE Cc1c(C(=O)NNC(C)(C)C)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747815 ROBPJGBMRCWMNE-UHFFFAOYSA-N 458.562 4.758 50 10 JJGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680458 LPVCCTSLMCATCZ-RUZDIDTESA-N 494.551 4.853 50 10 JJGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865691754 AERQUYXLNHCYGC-JOCHJYFZSA-N 464.953 4.773 50 10 JJGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702637 XZJOWKPNSIDBCH-LJQANCHMSA-N 453.315 4.945 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)ccc1O 1865706390 VOVXCFUPWHKTIY-FQEVSTJZSA-N 478.430 4.977 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccccc1OC)C(C#N)=C(N)O2 1865709472 CHFNSEJHEOLQRD-FQEVSTJZSA-N 465.351 4.814 50 10 JJGE COc1ccccc1-c1ccc(C(=O)N/N=C\c2cc(Cl)cc(Br)c2O)c(C)n1 1865762352 ATDIXHLEPFYPDE-MYKKPKGFSA-N 474.742 4.951 50 10 JJGE COCCOc1ccc(/C=C(\C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 1866386294 RPGVYOWTHPIGFW-HPNDGRJYSA-N 481.596 4.553 50 10 JJGE CC[C@@](C)(NC(=O)CCc1csc(-c2ccncc2)n1)C(=O)Nc1ccc(SC#N)cc1 1867060145 CQFWZNFVSGIYTG-HSZRJFAPSA-N 465.604 4.634 50 10 JJGE N#CSc1ccc(Nc2cc(N3CCNC(=O)[C@H]3c3ccc(F)cc3)nc(-c3cccnc3)n2)cc1 1868564439 AEDMAVHSBXXFBY-XMMPIXPASA-N 497.559 4.672 50 10 JJGE Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3ccc(OCc4ccccc4Cl)cc3)ccc12 1873794015 QXGTXKLRZSESOQ-CCVNUDIWSA-N 476.916 4.863 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)CCc1ccc(F)cc1Br 1905343560 PSFFLUGGRXGXTL-LBPRGKRZSA-N 455.121 4.581 50 10 JJGE O=S(=O)(c1cc(Br)cs1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915167374 VHQDJPUUUVIQBQ-OAHLLOKOSA-N 479.259 4.875 50 10 JJGE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1[C@H](Br)CO 1951575908 HSMGAALVXXPRCB-SNVBAGLBSA-N 473.987 4.987 50 10 JJGE Cc1ccc(NC(SCC(=O)N2CCOCC2)=C(C#N)c2nc3ccccc3s2)cc1 2040466858 OVLUEPSFKKSBFI-UHFFFAOYSA-N 450.589 4.501 50 10 JJGE O=C(NC[C@H](CBr)C(F)(F)F)c1cc(Br)c(Br)s1 2043326078 YKMBFHIJTKINHA-BYPYZUCNSA-N 473.934 4.576 50 10 JJGE C[C@@H](Br)C[C@@H]1COCCN1Cc1cc(Br)ccc1Br 2128882131 WEWOSJJKPMKFJU-ZWNOBZJWSA-N 456.016 4.586 50 10 JJGE BrCC(CBr)(C[C@H]1COCCCO1)c1ccc(Br)cc1 2154015351 WSFJOXRYQKAVRX-AWEZNQCLSA-N 471.027 4.672 50 10 JJGE O=C(c1csc(I)c1)N1CCC(CBr)(CC(F)F)CC1 2188340945 CMENCDZGPLEKCW-UHFFFAOYSA-N 478.140 4.625 50 10 JJGE FC(F)[C@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cncc(Br)c21 2193246194 SFMKLPJWOYUYSF-BBRMVZONSA-N 455.734 4.871 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1cccc(Br)c1Br 2204578891 MHVFDARSJNNYPP-WTTBSCSTSA-N 466.011 4.894 50 10 JJGE O=C(c1ccc(Br)cc1I)N1C[C@@H](CCl)C2(CCC2)C1 2207265245 OUSOVRRFPKHBIX-SNVBAGLBSA-N 468.560 4.535 50 10 JJGE Cc1cc(C[C@@H](Br)CN2C(=O)c3ccccc3C2=O)cc(C)c1Br 2209710960 RFADPFHZJDKJPB-CQSZACIVSA-N 451.158 4.668 50 10 JJGE COc1ccc([C@@H](Br)c2ccc(OC)c(I)c2)c(F)c1 2285016170 XQIMLMXNKYCHDB-HNNXBMFYSA-N 451.073 4.932 50 10 JJGE CC(C=Cc1cccc([N+](=O)[O-])c1)=NNC(=O)COc1ccc(Cl)cc1Br 2296645011 DADITHLLCUSCHC-UHFFFAOYSA-N 452.692 4.595 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccccc2C)cc1 2328821129 KQTFTHRDBSCADS-MBSDFSHPSA-N 453.583 4.964 50 10 JJGE Cn1nc(Br)c(Br)c1[C@H](Br)c1ccc([C@H]2CCOC2)s1 2364239251 ZQBNDCXMXLKCLY-OIBJUYFYSA-N 485.039 4.995 50 10 JJGE CC[C@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 9873655 GVKGFYWVUZZGCM-UONOGXRCSA-N 483.790 4.610 50 10 JJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3cccc(OCCc4ccccc4)c3)cc2)c1 10331293 MYTOSQHRFWTDIL-UHFFFAOYSA-N 493.563 4.944 50 10 JJGE CC(C)COc1ccc(C(=O)NNC(=S)NC(=O)c2sc3ccccc3c2Cl)cc1 14025039 GQNRFYRFCUFYNP-UHFFFAOYSA-N 461.996 4.539 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@@H]1c1cccs1 38656657 WXPMTFAUHLJLNW-HNNXBMFYSA-N 494.397 4.646 50 10 JJGE COc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1)CC3 39881710 IDYSGKBIANHKCN-UHFFFAOYSA-N 472.932 4.666 50 10 JJGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCC#N 59304633 ARICBTDMMNSUKB-DHRITJCHSA-N 468.307 4.599 50 10 JJGE COc1ccc(-c2csc3ncn(CC(=O)/C(C#N)=C4/Nc5ccccc5S4)c(=O)c23)cc1 103908334 DLNCBXAJMNMNDG-JWGURIENSA-N 472.551 4.656 50 10 JJGE CC[C@@](C)(CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 136573529 FXBYRGFPNIAKEM-NSHDSACASA-N 454.011 4.598 50 10 JJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)c1 205649509 FXWXBCANUCMARJ-IICUWCKUSA-N 468.509 4.849 50 10 JJGE CN(CCCCCBr)C(=O)c1cc(Br)ccc1I 234281429 GSWUSULVVGMKNY-UHFFFAOYSA-N 488.989 4.691 50 10 JJGE CCCCCCCCOc1ccc(OCC(=O)NN=Cc2ccc(OC(C)=O)cc2OC(C)=O)cc1 254417090 QBXVVQQMFZQUOM-UHFFFAOYSA-N 498.576 4.806 50 10 JJGE Cn1ncc([C@@H](Br)c2cc(Br)cc3c2OCCC3)c1Br 688380815 ADPWVEMPKQJIOS-LBPRGKRZSA-N 464.983 4.754 50 10 JJGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1 1084435520 HHWUGRIDDYDYKU-UHFFFAOYSA-N 472.328 4.783 50 10 JJGE Cc1ccccc1C(=O)N[C@H]1Cc2ccccc2C1=NNC(=O)Nc1ccc(OC(F)(F)F)cc1 1088687343 OTBMTYSLNZOTTD-NRFANRHFSA-N 482.462 4.774 50 10 JJGE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 1865694911 FLURCCFDZSNCFT-QGZVFWFLSA-N 460.843 4.889 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1OC 1865695574 QAFRHICPVZJSIF-IBGZPJMESA-N 470.451 4.576 50 10 JJGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705281 QKHCQVMISRIYTG-XMMPIXPASA-N 477.524 4.657 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 1902124117 FGSNPHNSABYLIM-DLBZAZTESA-N 463.710 4.566 50 10 JJGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 1955612875 IJIQZCYTCYRYJG-FKBYEOEOSA-N 466.441 4.740 50 10 JJGE Cc1cc(Br)c(CBr)c(N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1 2053219215 NRAQPSKZLILTOI-KRWDZBQOSA-N 463.217 4.867 50 10 JJGE O=C(N[C@H]1CC[C@@H](CBr)CC1)c1csc(Br)c1Br 2054704579 UNDQTEAMILVHIC-OCAPTIKFSA-N 460.029 4.957 50 10 JJGE O=C(c1csc(Br)c1Br)N1[C@H]2CC[C@@H](C2)[C@@H]1CBr 2058367089 WUYXACYDWDQOMF-ZKWXMUAHSA-N 458.013 4.661 50 10 JJGE CC(C)Oc1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)cn1 2078931155 IPRYSLVCMGRVOV-UHFFFAOYSA-N 490.061 4.573 50 10 JJGE O=C(N[C@@H]1CCC[C@@H]1CCCl)c1cc(I)ccc1Br 2090560774 TZCJEIGMSRMWRB-NOZJJQNGSA-N 456.549 4.581 50 10 JJGE O=C(c1scc(Br)c1Br)N1CC[C@@H](Br)C(F)(F)CC1 2093622913 CCSVREMXUJFLKO-SSDOTTSWSA-N 481.982 4.908 50 10 JJGE Cn1nc(C[C@@H](CBr)Cc2ccccc2Br)cc1Br 2111924056 FFCDEIARZPYLTN-JTQLQIEISA-N 451.000 4.741 50 10 JJGE Cn1ncc(C[C@H](CBr)Cc2ccc(Br)cc2)c1Br 2116618307 YARLFFSLNNWQBX-LLVKDONJSA-N 451.000 4.741 50 10 JJGE FC(F)(CBr)[C@H]1CCN(Cc2ccc(I)c(Cl)c2)C1 2142946164 ZFYICASFSIQXCB-JTQLQIEISA-N 464.519 4.797 50 10 JJGE O=C(NC[C@]12CCC[C@]1(CBr)C2)c1scc(Br)c1Br 2142951146 XOTJBNFIUQDJCF-CHWSQXEVSA-N 472.040 4.958 50 10 JJGE CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)c(Cl)c1 2179793546 VSELECLNXFXEFL-SFHVURJKSA-N 471.848 4.520 50 10 JJGE C[C@@H]1[C@@H](Cl)C[C@H]2CC[C@H]1N2C(=O)c1ccc(Br)cc1I 2207275462 LWVNXLYPZIWEKX-QLXFMQRKSA-N 468.560 4.674 50 10 JJGE BrCC(CBr)(Cc1nscc1Br)C1CCOCC1 2219913032 LEGICDVRHGEDIE-UHFFFAOYSA-N 462.045 4.651 50 10 JJGE CC[C@@H](C)[C@H](CI)NC(=O)Cc1ccc(Br)cc1Cl 2229149210 GRBOOBKBVWFMGP-RNCFNFMXSA-N 458.565 4.611 50 10 JJGE CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@H](CI)O2)C[C@@H]1C(F)(F)F 2252609895 TULSISOLTOZMEQ-LALPHHSUSA-N 463.278 4.691 50 10 JJGE Cc1cc(F)c(Br)cc1C(=O)NCCSSCCNC(=O)OC(C)(C)C 2270452686 AJNWFLZDBJYZIS-UHFFFAOYSA-N 467.426 4.533 50 10 JJGE CCc1nn(C)c([C@H](Cl)c2ccc(OC)c(I)c2)c1Br 2285002497 MOULHGUHOZOGOQ-CYBMUJFWSA-N 469.548 4.686 50 10 JJGE C[C@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)CC[C@@H]1CBr 2295310986 DXNPTVNIKFWPGT-CMPLNLGQSA-N 468.027 4.634 50 10 JJGE CC1(C)[C@@H](Br)CC[C@@H]1NC(=O)Cc1cc(Br)cc(Br)c1 2295313431 JSHQMFLFJBFJNB-STQMWFEESA-N 468.027 4.822 50 10 JJGE O=C(O)C(NC(=O)c1ccccc1)=C(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 2296699141 XPTLDXHMFLLDOX-UHFFFAOYSA-N 467.461 4.884 50 10 JJGE BrC[C@@H](CC1CC1)NCc1ccc(I)c(Br)c1 2306224635 SIMWRFIDWICJJU-LLVKDONJSA-N 472.990 4.707 50 10 JJGE COc1cccc(OCC(=O)Oc2ccc(C=C(C#N)c3ccc(OC)c(OC)c3)cc2OC)c1 2320507014 WWRPABJSYVDGQY-UHFFFAOYSA-N 475.497 4.770 50 10 JJGE N#CC(=CNc1ncc(Br)cn1)C(=O)Nc1ccccc1Sc1ccccc1 2325339724 WUYAKEMWIWDAMJ-UHFFFAOYSA-N 452.337 4.848 50 10 JJGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)CC1=O 2331336821 BIUAMVAOLUOUCP-OAHLLOKOSA-N 493.516 4.590 50 10 JJGE C[C@@H]1[C@H](Cl)CCN(C(=O)c2cc(Br)ccc2I)[C@@H]1C 2344510891 WEDKLECHRBIDNA-YGOYTEALSA-N 456.549 4.532 50 10 JJGE Cc1cc(NC(=O)/C(C#N)=C\c2sc(N3CCOCC3)nc2-c2ccccc2)n(-c2ccccc2)n1 4489255 YIZRUPAGIPOUMO-FXBPSFAMSA-N 496.596 4.687 50 10 JJGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)c1 38684405 OLONQGGFWVHRBO-DEOSSOPVSA-N 471.469 4.821 50 10 JJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/Nc3ccc4ccccc4c3)C2=O)cc1OC 39893860 RKDYXYFVLUMXAC-ULJHMMPZSA-N 467.525 4.604 50 10 JJGE O=C(NNc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40588069 HWGSHTJFGQAPDG-UHFFFAOYSA-N 498.670 4.754 50 10 JJGE O=C(CCc1nc2ccccc2n1-c1ccccc1)NNC(=O)COc1ccccc1-c1ccccc1 104669801 PZEOMDXVQWGZFR-UHFFFAOYSA-N 490.563 4.852 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N(CCBr)CC(F)(F)F 231576879 FUTCSGVDYUMCSI-UHFFFAOYSA-N 473.934 4.673 50 10 JJGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1O 252632460 VTYTVKPRBWVCOA-UHFFFAOYSA-N 482.128 4.826 50 10 JJGE Cc1ccc(C(=O)NCC(=O)NN=Cc2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 254821706 DBUIPDNUHNQOJN-UHFFFAOYSA-N 479.536 4.556 50 10 JJGE Cn1ncc(Br)c1[C@H](Br)c1cc(Br)cc2c1OCCC2 688386787 RJTUKEUEGWHOEC-GFCCVEGCSA-N 464.983 4.754 50 10 JJGE O=C(N[C@H]1CCCC[C@@H]1CBr)c1scc(Br)c1Br 705409560 MQDFGWNCVWIDIL-APPZFPTMSA-N 460.029 4.957 50 10 JJGE C[C@H]1C[C@@H]([C@H](Br)c2cc(I)cc3c2OCC3)C[C@@H](C)O1 724425090 RVXKSNMWYXTGKW-MAWWSGROSA-N 451.142 4.866 50 10 JJGE O=C(NN=Cc1ccccc1Br)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 1084191122 PXDBMVQSRSLCOC-XMMPIXPASA-N 494.414 4.987 50 10 JJGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 1084418351 ZKORWSPZWZYUSQ-UHFFFAOYSA-N 465.937 4.715 50 10 JJGE COc1ccc(OC)c(C=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1 1084529170 BOGQIBTYGHVOBI-UHFFFAOYSA-N 471.601 4.922 50 10 JJGE C[C@@H](C(=O)NN=Cc1ccccc1Cl)n1nnc(-c2ccc(OCc3ccccc3Cl)cc2)n1 1088681139 ONKFEYZAZXUAFL-INIZCTEOSA-N 495.370 4.937 50 10 JJGE CC[C@H](Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)C(=O)OC1CCCCC1 1858689510 NJXCVYFHICTCSF-KRWDZBQOSA-N 461.446 4.773 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865683621 GGBNJDZJURRMBY-QHCPKHFHSA-N 498.514 4.678 50 10 JJGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865695278 NCPZTWFWZAWSPX-QHCPKHFHSA-N 462.525 4.648 50 10 JJGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1 1865702130 NNTBQKKPBYEIIR-FQEVSTJZSA-N 483.494 4.964 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccncc2)C(C#N)=C(N)O3)cc1 1865702500 WCMFVULMRHDSKU-QFIPXVFZSA-N 469.932 4.874 50 10 JJGE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704786 DWUAXLCXJTUAII-RUZDIDTESA-N 492.535 4.881 50 10 JJGE CCC[C@@H](NC(=O)CCCc1ccc(OC)c(OC)c1)C(=O)Nc1ccc(SC#N)cc1 1866779737 RETNOKHEKKZBIO-HXUWFJFHSA-N 455.580 4.523 50 10 JJGE O=C(NCC[C@H]1CCC[C@H]1Br)c1ccc(Br)cc1Br 1913719957 AKDVKAZJCOBAEY-BXKDBHETSA-N 454.000 4.895 50 10 JJGE COc1ccc(Br)cc1C(=O)N(C)C[C@H](Br)COCc1ccccc1 1916334131 CLQDEYYZYQQOHY-INIZCTEOSA-N 471.189 4.510 50 10 JJGE O=C(NC[C@@H](CBr)C1CCC1)c1cc(Br)c(Br)s1 2029475032 MJAXGKJKDLOZPU-MRVPVSSYSA-N 460.029 4.814 50 10 JJGE CC1(C)C[C@H](CBr)N(C(=O)c2cc(Br)c(Br)s2)C1 2033710969 GACVBVLUPOICRT-SSDOTTSWSA-N 460.029 4.909 50 10 JJGE CC[C@@H](C)[C@H](CI)NC(=O)c1ccc(I)c(Cl)c1 2081235700 JDJSDUHFVBQIOU-PELKAZGASA-N 491.538 4.524 50 10 JJGE CCN1CCC[C@H]([C@H](Br)c2scc(Br)c2Br)S1(=O)=O 2089521147 ZYMYFZFHAXHYDB-SCZZXKLOSA-N 496.084 4.523 50 10 JJGE CCC(CC)(CBr)CN=[S@@]1(=O)CC[C@H](CNC(=O)OC(C)(C)C)C1(C)C 2106788638 RJWHWCLNOFQEMY-PVPMGCCUSA-N 453.487 4.979 50 10 JJGE C[C@H]1C[C@H](CBr)CCN1C(=O)c1cc(Br)cc(Br)c1 2115844933 VYQZCRICVSKKDL-VHSXEESVSA-N 454.000 4.847 50 10 JJGE Cc1nn(C)c(Br)c1[C@@H](Br)[C@H](C)c1ccncc1Br 2129262874 HCUPNKUBGAIULK-KRTXAFLBSA-N 451.988 4.888 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CC2(CC[C@@H]1CBr)CC2 2154168695 SIAWRTHIWIUEEU-LLVKDONJSA-N 468.560 4.724 50 10 JJGE CN(c1ccc(NC(=O)OC(C)(C)C)cc1)S(=O)(=O)c1ccc(CBr)cc1 2163053100 KJNRAKRRWWGKSF-UHFFFAOYSA-N 455.374 4.754 50 10 JJGE Fc1cc(Br)cc(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)c1CBr 2170693433 ZLRWMABTJXRCFL-NHCUHLMSSA-N 498.234 4.963 50 10 JJGE Cc1cc(C(=O)N2CCCC[C@@H]2C[C@H](C)Br)ccc1I 2207107862 TUMHLGBMMIGOIR-GXTWGEPZSA-N 450.158 4.768 50 10 JJGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(Br)c1 2212707303 FCXHTLGXCPSTIX-LBPRGKRZSA-N 465.182 4.563 50 10 JJGE CCN(C(=O)c1cc(Br)ccc1Br)[C@@H]1CCC[C@@H]1Br 2224417861 BRNMKWYUBAYGEZ-QWHCGFSZSA-N 454.000 4.990 50 10 JJGE C[C@H]1[C@@H](Br)C[C@@H](C)CN1C(=O)c1ccc(Cl)c(I)c1 2268343940 KCPONFPRMWOZQX-YWVKMMECSA-N 456.549 4.579 50 10 JJGE C[C@@H](CCCBr)CNC(=O)Cc1cc(Br)cc(Br)c1 2277936578 NSJATKCYRWJWJC-JTQLQIEISA-N 456.016 4.682 50 10 JJGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)cc1 2296721787 VDJQXRGBTAMPRP-UHFFFAOYSA-N 471.538 4.750 50 10 JJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NCCCn1ccnc1 2296727526 KGDKHCUPAIYJNL-UHFFFAOYSA-N 456.937 4.503 50 10 JJGE CC(CC(=O)Nc1ccc(Cl)c(Cl)c1)=NNC(=O)c1cccc(I)c1 2297710106 RHVAARSMIOADPG-UHFFFAOYSA-N 490.128 4.733 50 10 JJGE N#CC(=Cc1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)N1CCN(c2ccccc2)CC1 2313566957 FHNZZEQQUWEIDU-UHFFFAOYSA-N 461.905 4.554 50 10 JJGE C=CCc1cc(C=C(C#N)C(=O)N(C)C)ccc1OCc1ccc(I)cc1 2313568379 RQQCBKKKXPDWDH-UHFFFAOYSA-N 472.326 4.594 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)c(OC)c1 2314634675 WWONPJJTYQQQGT-HHHXNRCGSA-N 468.509 4.849 50 10 JJGE FC(F)(F)[C@@]1(CBr)CCN(Cc2sccc2I)C1 2316763171 YYEUGLIKNIIFFT-SNVBAGLBSA-N 454.093 4.502 50 10 JJGE C[C@H]1[C@H](C)N(C(=O)c2cc(Br)ccc2Br)CC[C@H]1Br 2344521174 SHKRBHHXFBOXJO-HOTUBEGUSA-N 454.000 4.846 50 10 JJGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 14038787 HCTJWYFHXXHUKC-LJQANCHMSA-N 459.546 4.711 50 10 JJGE Cn1cc(C(=O)NN[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c2ccccc21 15501133 JLBAIMMMUINOHX-JOCHJYFZSA-N 466.463 4.812 50 10 JJGE O=C(Cc1cnn(-c2ccccc2)c1)NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 29331855 DBDUFVFDAYHCFZ-UHFFFAOYSA-N 499.621 4.778 50 10 JJGE CCOC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 34890913 BWSQBZKDSOLISK-ONZPZFSWSA-N 475.339 4.578 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 38654737 CQHLUEUGNMDVHQ-XMMPIXPASA-N 471.469 4.821 50 10 JJGE COc1ccc([C@@H](Br)c2ccccc2I)c(OC)c1OC 40289941 RMTBGGZNHMGNDX-AWEZNQCLSA-N 463.109 4.801 50 10 JJGE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)c1 40814553 ZQLGGFTYRODIQW-SGWCAAJKSA-N 474.517 4.765 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(I)cc1 44790431 AZMSOVZAPLMGFK-DEDYPNTBSA-N 481.337 4.922 50 10 JJGE COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)cc1 96454265 VHOWXTFANMSHRN-NDENLUEZSA-N 490.899 4.949 50 10 JJGE CC(/C=C/C=C\c1ccccc1)=NNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 252630519 VBJBUXRYMVWCGM-CRSHOLDNSA-N 479.536 4.948 50 10 JJGE CC(=NNC(=O)c1cn(C)c2ccccc12)c1ccc(NC(=O)c2ccc(Br)o2)cc1 254409800 AUYJAZBYPQGIKO-UHFFFAOYSA-N 479.334 4.940 50 10 JJGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C[C@@H]2CC=C(C)C[C@@H]2C)c(OC)c1 254485353 RMJITTRYQPRBOH-CMOYSIIMSA-N 461.562 4.569 50 10 JJGE CCOc1cc(C=NNC(=O)COc2cc(C)cc(C)c2)ccc1OC(=O)c1cccs1 254708608 OUXPHUDFESAJQX-UHFFFAOYSA-N 452.532 4.512 50 10 JJGE Cc1ccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1 254814969 VQRCHLDJFXFPCS-UHFFFAOYSA-N 488.638 4.877 50 10 JJGE BrCC(CBr)(CO[C@H]1CCCOC1)c1ccc(Br)cc1 383657220 PKKPJFPDNLIJGL-AWEZNQCLSA-N 471.027 4.672 50 10 JJGE Oc1c(Br)cccc1[C@H]1CN(Cc2ccccc2)C[C@H]1CI 394777226 FOTUCUBOHXAQJN-ZBFHGGJFSA-N 472.164 4.805 50 10 JJGE O=C(N[C@@H](CCl)C1CCCCC1)c1cc(I)ccc1Br 395407423 CALXJYKVTIQFRG-AWEZNQCLSA-N 470.576 4.971 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)c2cccc3ccccc23)c(-c2ccccc2)n1 761379951 DUADEEMLYONYBK-JWGURIENSA-N 460.493 4.950 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)Oc2ccc(OCc3ccncc3)cc2)c(-c2ccccc2)n1 916849752 GHJDJVIVRDAKEY-HAVVHWLPSA-N 475.508 4.950 50 10 JJGE CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 1084638942 GINCYPULEKYWTA-GHXNOFRVSA-N 450.676 4.955 50 10 JJGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 1084649755 MBGFAYFQMMTYNJ-FQEVSTJZSA-N 492.373 4.531 50 10 JJGE Cc1ccc([N+](=O)[O-])cc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 1614640522 ZCORGIAYUUXTSC-QFBILLFUSA-N 480.302 4.690 50 10 JJGE C#CCN1CCC[C@@H](NC(=O)/C(C#N)=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C1 1644638886 ZRZIDIHBKZBDCK-PRWBYUBPSA-N 455.389 4.522 50 10 JJGE Cc1c(C(=O)OC(C)C)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749043 GNTSNDQXARFCDS-UHFFFAOYSA-N 453.322 4.696 50 10 JJGE COc1cc(C=NNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc(Br)c1OC 1772756233 PCZHDNIYMBFHLZ-CYBMUJFWSA-N 469.763 4.654 50 10 JJGE CCOc1ccc(S(=O)(=O)NNC(=O)c2ccc(-c3ccc4ccccc4c3)s2)cc1 1860405755 XNFKQGYNAZXDAZ-UHFFFAOYSA-N 452.557 4.590 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc[nH]1 1865709838 HZYWOYWDKBRKTC-IBGZPJMESA-N 458.319 4.848 50 10 JJGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc(Br)cc4C3=O)n2)cc1 1872749539 WCPKIKKVXASUNY-ZPHPHTNESA-N 480.343 4.970 50 10 JJGE Cc1cc(Br)c(C(=O)N[C@H](CCBr)COCc2ccccc2)s1 1902792452 KFHPBYIMQVHBPS-CQSZACIVSA-N 461.219 4.919 50 10 JJGE Cc1cccc(C(=O)N(C)C[C@H](Br)COCc2ccccc2)c1Br 1916388556 SKYCYCLPFUVOCP-INIZCTEOSA-N 455.190 4.810 50 10 JJGE CN(C(=O)c1scc(Br)c1Br)[C@H](CCBr)C(F)F 2058232766 FWGPBGGMAXXAHQ-ZCFIWIBFSA-N 469.971 4.764 50 10 JJGE Fc1cc(Cl)ncc1-n1nc(CBr)c(I)c1C(F)(F)F 2078932754 IMOOURLKUHRBIG-UHFFFAOYSA-N 484.416 4.578 50 10 JJGE O=C(c1c(Br)cccc1Br)N1[C@H]2CC[C@H]1[C@H](CBr)C2 2100990505 DCPGNNBQAVHTNO-AUTRQRHGSA-N 451.984 4.600 50 10 JJGE C[C@@H]1C[C@@H](CCl)CCN1C(=O)c1cc(Br)ccc1I 2115836899 PACSOURSCWTFRM-ZJUUUORDSA-N 456.549 4.533 50 10 JJGE CC1(C)COc2ccc([C@@H](Br)c3cc(I)sn3)cc21 2120031289 IADMYWJTHPXUBA-CYBMUJFWSA-N 450.139 4.902 50 10 JJGE O=S(=O)(c1cc(CBr)ccc1Cl)N(Cc1ccccc1)C[C@H]1CCCO1 2123199423 RZSUSBKOHKSGHC-QGZVFWFLSA-N 458.805 4.605 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@H](Br)[C@@H]2CC[C@@H]21 2133723441 PPXMQKYXOGBHHL-AVGNSLFASA-N 451.984 4.600 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@@H]2CCC[C@H](Br)[C@H]2C1 2150958247 LBQDGWZXQHORNH-XDTLVQLUSA-N 466.011 4.847 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@H](Br)CC12CCC2 2169890466 XFVYDQWVXLLLCP-NSHDSACASA-N 468.560 4.867 50 10 JJGE CCC[C@@H](CBr)CN1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2211441664 ZYHLBAKACJEAKH-SFHVURJKSA-N 492.499 4.587 50 10 JJGE CC(C)(C)OC(=O)NCC(F)(F)[C@H]1CCCCN1CCCCCI 2214707677 FBWQAHFKUKAIFB-CQSZACIVSA-N 460.347 4.606 50 10 JJGE Cc1cc(Br)c([C@@H](Br)[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1Br 2235604448 NRSCHAFGGGDQDI-VILIVFPASA-N 487.051 4.555 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CCC[C@H]1CCCBr 2268343103 HWBQMROBGXEVEL-LLVKDONJSA-N 456.549 4.724 50 10 JJGE C[C@@]1(CNC(=O)Cc2cc(Br)cc(Br)c2)CCC[C@@H]1Br 2295315054 GXAKCNUDIHHAII-ZFWWWQNUSA-N 468.027 4.824 50 10 JJGE COC(=O)c1cc(OC)c(OC)cc1NC=C(C#N)c1nc(-c2cccc(OC)c2)cs1 2295945718 YAXGDNHMUBYLJJ-UHFFFAOYSA-N 451.504 4.599 50 10 JJGE CCCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OCC)cc2)cc1 2297450890 AHHBFTIUDDHECY-UHFFFAOYSA-N 471.557 4.795 50 10 JJGE Cc1ccc(I)c(C(=O)N[C@@H](CCCl)COCc2ccccc2)c1 2303698866 BKEBWUDVMUCCIW-INIZCTEOSA-N 457.739 4.544 50 10 JJGE COc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)C(=O)Nc1ccc(Cl)cc1 2314534162 ZUJJEAYSLBKAMX-UHFFFAOYSA-N 472.888 4.694 50 10 JJGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C(C)=C(C#N)C1=O 2314618819 UWMWMDXYKFFZQV-UHFFFAOYSA-N 492.535 4.914 50 10 JJGE F[C@@H](CBr)C1CCN(Cc2cc(I)ccc2Cl)CC1 2352419929 KYHFTZSKAYGEKS-AWEZNQCLSA-N 460.556 4.890 50 10 JJGE O=S(=O)(NCc1sc(Cl)cc1Br)c1ccc(CBr)cc1 2369905936 HOMFEVYLZZHGSY-UHFFFAOYSA-N 459.612 4.537 50 10 JJGE CC(C)(C)c1ccc(OCCn2cc(/C=C(/C#N)C(=O)N3CCC(C(N)=O)CC3)c3ccccc32)cc1 6075458 CWVPOMAAHCOHQT-PYCFMQQDSA-N 498.627 4.649 50 10 JJGE CC[C@H](C)Oc1cccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)c1 10662907 KZUQXSFLMFRNDY-HNNXBMFYSA-N 463.372 4.590 50 10 JJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 12581473 IJFNZMZSMRIISX-SNVBAGLBSA-N 493.174 4.634 50 10 JJGE O=C(NNc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1cccc(Cl)c1 40646422 HDCYWULCHHRFMN-UHFFFAOYSA-N 475.896 4.960 50 10 JJGE COc1ccc2nc(Nc3ncnc(NNC(=O)c4cccc5ccccc45)c3[N+](=O)[O-])sc2c1 40657604 ZSRJXUSOSFHSGQ-UHFFFAOYSA-N 487.501 4.657 50 10 JJGE Cc1c(C(=O)NCc2ccccc2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823235 LFWWIKZRJYWESS-VVEOGCPPSA-N 493.379 4.508 50 10 JJGE N#C/C(=C\c1ccc(OC(=O)CSc2ccc(Cl)cc2)cc1)C(=O)NCc1ccco1 40946996 HCJWGNYFHSQKOY-SFQUDFHCSA-N 452.919 4.854 50 10 JJGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 58886507 PQQDZJSAYHCWHY-MFSPXNBESA-N 477.517 4.536 50 10 JJGE CCOC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(C)cc2)C(=O)N1c1ccc(Br)cc1 102974666 MXHPJVXRYATMGA-AZZGVMCLSA-N 471.376 4.747 50 10 JJGE N#C/C(=C/Nc1cccc(S(=O)(=O)O)c1)C(=O)Nc1ccccc1Sc1ccccc1 217243276 FDRYITZJVUJXNT-NXVVXOECSA-N 451.529 4.543 50 10 JJGE CC(Cn1nc(C)c(Cl)c1C)=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(C)nn2C 254319695 YXQVIGNEYOKCJO-UHFFFAOYSA-N 484.391 4.870 50 10 JJGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc3c(c2)CCCC3)cc1OC 254701809 VIIRDRPPZWNJEW-QZQUTRNXSA-N 497.595 4.894 50 10 JJGE O=C(CBr)c1c(I)cc(Br)cc1OC(F)(F)F 575690682 AGVAIOZPDPHMKW-UHFFFAOYSA-N 487.835 4.530 50 10 JJGE O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCN(c2nc3ccccc3s2)CC1 727484370 JFWWVYSCONRVJD-UHFFFAOYSA-N 465.457 4.583 50 10 JJGE C[C@@H]1CCCC[C@@H]1OCCNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 916060710 CROZFBAJSQDSSR-CJJABTPJSA-N 465.985 4.736 50 10 JJGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(C(C)(C)C)cc2)cc1 1083987651 IHJOMKYJTAVBIP-UHFFFAOYSA-N 491.657 4.676 50 10 JJGE C[C@H](NC(=O)C(=O)NN=Cc1c(OCc2ccccc2)ccc2ccccc12)c1ccccc1 1084004889 ZZJPIOZTLPUEAA-FQEVSTJZSA-N 451.526 4.746 50 10 JJGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)CC)cc2)ccc1OC(=O)/C=C/c1ccccc1 1084346165 MOXIIGLNRLQSOA-WFIOITITSA-N 485.540 4.817 50 10 JJGE Cc1c(C(=O)NCc2ccccn2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747673 FLDYWGUCBXIMGD-UHFFFAOYSA-N 492.579 4.902 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)ccc1OC(C)C 1865695826 HQJQYHOINLPKLP-HSZRJFAPSA-N 464.953 4.907 50 10 JJGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CCc4ccccc4[C@H]3C2)n1 1868389620 YQYJJPOGJQXZGN-JOCHJYFZSA-N 470.602 4.692 50 10 JJGE CN(C[C@H](Br)COCc1ccccc1)C(=O)Cc1ccc(Br)cc1F 1916365574 YWBIMCYGGYXOBT-KRWDZBQOSA-N 473.180 4.569 50 10 JJGE CS(=O)(=O)C1([C@H](Br)c2cc(Br)sc2Br)CCC1 2001804484 CHDNWMCLJDGYAV-MRVPVSSYSA-N 467.042 4.676 50 10 JJGE O=C(c1csc(Br)c1Br)N1CC2(CC2)C[C@@H]1CBr 2037831024 JWBXXNXJRFMAMZ-SSDOTTSWSA-N 458.013 4.663 50 10 JJGE CC(C)C[C@H](Br)CNC(=O)c1ccc(Br)cc1I 2086147436 NDFXIUPWYUNCOG-JTQLQIEISA-N 488.989 4.593 50 10 JJGE BrCCO[C@H]1CCCN(Cc2cccc(Br)c2Br)C1 2113855550 DOXTVOKJQYCYEG-LBPRGKRZSA-N 456.016 4.588 50 10 JJGE CC(C)[S@](=O)(=NCC1(CBr)CCCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2126849973 JPTKBKKSYDDQSV-AKJBCIBTSA-N 451.471 4.828 50 10 JJGE Cc1nn(C)c(Br)c1COc1ccc(CBr)cc1Br 2129300467 PNKVWDALRXEVPM-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE C[C@@H](Br)CCCc1cn(-c2cc(Cl)ccc2I)nn1 2132755960 DFUHPBPSEVUPDC-SECBINFHSA-N 454.537 4.631 50 10 JJGE C[C@H](NC(=O)c1ccc(Br)cc1I)[C@@H]1CCC[C@@H]1Cl 2142289097 XDIFWIWIEQBZLY-PEXQALLHSA-N 456.549 4.580 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@@H]2C[C@@H](Br)CC[C@H]21 2143979571 YBFWXCKFUQDSKQ-OLUVUFQESA-N 468.560 4.723 50 10 JJGE CC[C@@H](C)[C@@H](Br)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2146588419 IVIDCNUQBLRZAC-APPZFPTMSA-N 468.038 4.844 50 10 JJGE O=C(NC[C@]1(CBr)C[C@H]1C(F)(F)F)c1csc(Br)c1Br 2192586551 KUROSBOUCJSFIP-LHLIQPBNSA-N 499.972 4.966 50 10 JJGE FC(F)OC1CC(CO[C@H](CI)c2ccccc2Br)C1 2238472335 JINMQDGMKJTBFW-SRHKJQAYSA-N 461.084 4.960 50 10 JJGE Cc1ccc(I)c(C(=O)N[C@@H]2CCCC[C@H]2CCBr)c1 2240902382 ZIRUOUJPMPSNTJ-SWLSCSKDSA-N 450.158 4.673 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCC[C@]1(C)CNC(=O)OC(C)(C)C 2244481436 FXDQVYYUFRKTOG-HRAATJIYSA-N 463.710 4.566 50 10 JJGE O=C(NCCCCCCI)c1cc(Br)c(F)cc1Cl 2270353113 ILTWJTUDMDRVGZ-UHFFFAOYSA-N 462.528 4.967 50 10 JJGE COC(=O)c1ccc(COc2ccc(C=C(C#N)C(=O)NCc3ccc(Cl)cc3)cc2)cc1 2297381503 IASZJGXMYJMJFJ-UHFFFAOYSA-N 460.917 4.929 50 10 JJGE C[C@H]1C[C@H](Br)CN(Cc2ccc(I)c(Br)c2)C1 2306224796 TUYCQBLWPWSLIO-ONGXEEELSA-N 472.990 4.659 50 10 JJGE CC[C@@H](NC(=O)C(C#N)=CN1CCN(c2cccc(C)c2C)CC1)c1ccc2c(c1)CCCC2 2318467988 ILRZOHAQEYHKRJ-HHHXNRCGSA-N 456.634 4.979 50 10 JJGE COc1ccc([C@H](C)NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2324599291 OQRSLCYWPCWAKU-QHCPKHFHSA-N 480.612 4.687 50 10 JJGE CCCCCCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(OCCOC)cc2)cc1 2331123120 GJCHQVLMMZDOFQ-UHFFFAOYSA-N 450.535 4.995 50 10 JJGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 2331343093 SJPJWNAKBHESRV-UHFFFAOYSA-N 474.498 4.931 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3)n2)c(OC)c1 2331385805 KFJUWBDIPYHJPV-UHFFFAOYSA-N 455.923 4.703 50 10 JJGE O=C(NCC(F)(F)C(F)(F)CBr)c1cc(Br)sc1Br 2336532653 WGEMVQLSMNNQLO-UHFFFAOYSA-N 491.924 4.668 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CCC[C@H]1CCCBr 2340057966 PEGLBLXVBKSEAT-LLVKDONJSA-N 456.549 4.724 50 10 JJGE O=C(N[C@@H]1C[C@@H](CBr)C12CCC2)c1scc(Br)c1Br 2351635888 UNDSZJJFUNREHL-IONNQARKSA-N 472.040 4.957 50 10 JJGE CC12CC(C1)[C@H](CO[C@@H](CI)c1ccc(Br)cc1)CO2 2365844751 GVYMCKKJKVUMGJ-QSTLKDOJSA-N 451.142 4.757 50 10 JJGE Nc1c(C(=O)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cnc2ccc(Cl)cc12 32605652 UWOBKBXYSFQPGD-UHFFFAOYSA-N 467.916 4.760 50 10 JJGE C/C(=N/NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 33774249 WCJMUVUCJCALNO-SUEICXKMSA-N 486.956 4.571 50 10 JJGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c1 35446585 IYXNKZDCGVUCTH-BTUGVJQXSA-N 456.546 4.530 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@H]1c1ccccc1Br 38678532 FPOPVARVKUFNHZ-HSZRJFAPSA-N 477.314 4.652 50 10 JJGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCC 58895219 RRAGVSKCOUTJIH-PPEIKGMUSA-N 489.410 4.939 50 10 JJGE CCc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)NC)cc1 101240453 AELLNBQOPKHYOP-ODXGNSPJSA-N 460.386 4.728 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1 101336598 ADGBMLJWAJPQSK-MFKUBSTISA-N 490.519 4.933 50 10 JJGE O=C(N[C@@H]1CCCC[C@H]1CBr)c1ccc(Br)cc1Br 231612644 UTFDHCMLIHUPIR-TVQRCGJNSA-N 454.000 4.895 50 10 JJGE CCn1cc(COc2c(Br)cc(Br)cc2CBr)cn1 394025301 LXCXUGGNYNHZLI-UHFFFAOYSA-N 452.972 4.902 50 10 JJGE C[C@@H](Br)[C@H]1CCCN(C(=O)c2ccc(I)c(Cl)c2)C1 689043488 LUVGLFPJJKEDLL-KOLCDFICSA-N 456.549 4.580 50 10 JJGE CN([C@@H]1CCC[C@H]1Br)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 709127227 NPTMPCJYBJANAE-LDYMZIIASA-N 466.022 4.692 50 10 JJGE Cc1cccc(C(=O)NC2(CBr)CCCCCC2)c1I 713490959 WUGHBNYMNGKDCA-UHFFFAOYSA-N 450.158 4.817 50 10 JJGE CC(=NNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccc(C)cc1 1084179005 UFQNIHLGIJECEG-UHFFFAOYSA-N 469.614 4.993 50 10 JJGE CC(=O)N[C@@H](C(=O)NNc1ccccc1Oc1ccccc1)c1cccc(Br)c1 1300356356 HITDOKFHHIRFIL-OAQYLSRUSA-N 454.324 4.562 50 10 JJGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccc(Cl)cc3)c(C)c21 1772746036 OQGQZHHPYUESBP-UHFFFAOYSA-N 451.910 4.973 50 10 JJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(OC)c1O)C(C#N)=C(N)O2 1865683690 IHIJGYVGZMLBGU-GOSISDBHSA-N 457.317 4.674 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1OC 1865694772 BDAGPFUPTOITCK-JOCHJYFZSA-N 450.926 4.519 50 10 JJGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1c[nH]c3ccccc13)C(C#N)=C(N)O2 1865700097 KYBUZKISLUYMEL-HXUWFJFHSA-N 460.335 4.897 50 10 JJGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3cccc(OC)c3OCc3ccccc3)nc2c1 1872727675 RXDKISYLBCXENV-DEDYPNTBSA-N 467.481 4.774 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3)n2)c(OC)c1 1872755371 KFJUWBDIPYHJPV-ZPHPHTNESA-N 455.923 4.703 50 10 JJGE C[C@@H](CCCCCI)NCc1sccc1I 1901006843 APUBKGQGDZMLMK-JTQLQIEISA-N 463.166 4.826 50 10 JJGE Brc1cc(CO[C@@H]2CCC[C@H]2Br)ccc1I 1904374641 VHAGJKCIAZBIND-BXKDBHETSA-N 459.947 4.886 50 10 JJGE O=S(=O)(c1cc(CCl)sc1Br)N(Cc1ccccc1)C[C@H]1CCCO1 2034742508 ZTYBBSBTEBAETM-CQSZACIVSA-N 464.834 4.619 50 10 JJGE CC(F)(F)C[C@H](CBr)NC(=O)c1cc(Br)sc1Br 2050370292 WEDNXBNZIZSWBP-RXMQYKEDSA-N 469.971 4.812 50 10 JJGE C[C@@H]1C[C@H](CBr)CN(C(=O)c2cccc(Br)c2Br)C1 2092329775 AAWQEMFTFVHWST-NXEZZACHSA-N 454.000 4.705 50 10 JJGE O=C(N[C@@H]1CCC[C@H]1CCBr)c1cccc(Br)c1Br 2092334077 FUCRZEDBIWSLRY-JOYOIKCWSA-N 454.000 4.895 50 10 JJGE C[C@@H]1CN(C(=O)c2c(Br)cccc2Br)C[C@]1(C)CBr 2094096495 YHDDEXDBPWFEEV-OTYXRUKQSA-N 454.000 4.705 50 10 JJGE CC1(C)[C@@H](NC(=O)c2cccc(Br)c2Br)CC[C@H]1Br 2142125283 DOOYWSNGDKAHEM-MNOVXSKESA-N 454.000 4.894 50 10 JJGE CC(C)(C)OC(=O)NCCCN(c1cccc(Br)c1)S(=O)(=O)CCCCCl 2163049720 CAFBLQLACZWCOZ-UHFFFAOYSA-N 483.856 4.519 50 10 JJGE Cc1cccc(C(=O)NC[C@@H]2CCCC[C@@H](Br)C2)c1I 2163745244 GJRYPWBKYGYQRW-CHWSQXEVSA-N 450.158 4.673 50 10 JJGE O=S(=O)(c1cc(CBr)c(Cl)cc1Cl)N1CCC(=CBr)C1 2179829615 CPHTZJIZJLLFLV-UHFFFAOYSA-N 464.006 4.562 50 10 JJGE Cc1nn(C)c(Br)c1[C@@H](Br)c1cc(Br)cc2c1OCC2 2185749943 KZLKTTLGMXIPLF-LBPRGKRZSA-N 464.983 4.673 50 10 JJGE O=C(N[C@@H](CCl)[C@@H]1CC=CCC1)c1ccc(I)c(Br)c1 2196139903 HSOLJYDAMPGECB-YGRLFVJLSA-N 468.560 4.747 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCCCC12CN(C(=O)OC(C)(C)C)C2 2215765499 RQWHIJRBASEHET-KRWDZBQOSA-N 475.721 4.662 50 10 JJGE O=C(N[C@H](CBr)C1CCCC1)c1ccc(Cl)c(I)c1 2268340400 BKBSOSAUNDREQD-CYBMUJFWSA-N 456.549 4.628 50 10 JJGE CC[C@H](C)[C@H](Br)CNC(=O)Cc1cc(Br)cc(Br)c1 2277931820 IKLMHFIEWKDMAW-TVQRCGJNSA-N 456.016 4.680 50 10 JJGE O=C(NN=Cc1ccc(Cl)cc1Cl)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295829717 IHSRJZAGZHUYPR-UHFFFAOYSA-N 482.323 4.643 50 10 JJGE CC1(C)[C@@]2(C=C[C@@]34CC[C@@](C(=O)O)([C@@H]3Br)C4(C)C)CC[C@@]1(C(=O)O)[C@@H]2Br 2297579950 DZCAUHVDKAGJQC-ZOPNZNLOSA-N 490.232 4.852 50 10 JJGE C=CCOc1c(CC=C)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 2313568478 VZWQLBLFEQNZAZ-UHFFFAOYSA-N 457.574 4.634 50 10 JJGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)NCc2ccco2)cc1C 2314592857 CVXGLMSUSYTFMT-DEOSSOPVSA-N 471.582 4.948 50 10 JJGE CCO[C@@H]1[C@@H](Br)C[C@@H]1OCc1cc(I)ccc1Br 2319215036 VPXXFJMMGKWOQG-RWMBFGLXSA-N 489.973 4.511 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1OC 2331242403 YCEUDXGNHJZTCK-QFIPXVFZSA-N 489.553 4.941 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCS(=O)(=O)C1 2339673494 BIDAGTFGSHNKRP-OIBJUYFYSA-N 479.003 4.530 50 10 JJGE CC(C)(C)N1C[C@H](Br)[C@H](Cc2ccc(Cl)cc2I)C1 2341033308 VDDGLMBBTQXVQH-YPMHNXCESA-N 456.593 4.981 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@H]2C[C@@H](Br)CC[C@H]21 2353891672 HPNWTPGOSXVNOX-NURSFMCSSA-N 466.011 4.990 50 10 JJGE C[C@@H](Br)CN(C(=O)c1ccc(F)cc1I)C1CCCC1 2368863635 VFSHMWFOPKZMFO-SNVBAGLBSA-N 454.121 4.599 50 10 JJGE ClCCCN(Cc1ccc(I)c(Br)c1)C1CCOCC1 2381158505 WSVBUZQQFMQLEG-UHFFFAOYSA-N 472.592 4.664 50 10 JJGE CN1Cc2cc([C@@H](Br)c3csc(I)c3)ccc2NC1=O 123285269 HZHUHCVWXILQBJ-CYBMUJFWSA-N 463.138 4.814 50 10 JJGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cc(OCC)c(OCC)c(OCC)c2)cc1 207085683 YKAZRSXXSLVTQU-QNGOZBTKSA-N 480.561 4.925 50 10 JJGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCCC)c(OC)c2)cc1 207106836 PHWQWESBVHAGBC-HBKJATORSA-N 462.546 4.926 50 10 JJGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)C1=O 214262091 VSZQVTGSGXQZLW-BEXDPUPVSA-N 466.541 4.939 50 10 JJGE O=C(NCC1CCC(Br)CC1)c1cc(Br)c(Br)s1 227781744 ODJQUALDDUTGDG-UHFFFAOYSA-N 460.029 4.957 50 10 JJGE COc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1 254348931 HHAKSMJSIIXCHV-UHFFFAOYSA-N 454.482 4.597 50 10 JJGE COc1ccc(-n2c(SCC(=O)NN=Cc3sccc3C)nnc2-c2ccccc2)cc1 254380035 FXVMQZNJNHVMLR-UHFFFAOYSA-N 463.588 4.555 50 10 JJGE CCCC(=O)Nc1cccc(C(=O)NN=Cc2ccccc2OCc2ccccc2[N+](=O)[O-])c1 254393291 DDJXHDXWMAMREK-UHFFFAOYSA-N 460.490 4.676 50 10 JJGE CCOc1ccc(NC(=O)c2sccc2I)cc1CBr 380634446 JAOXFPMJFGUTIO-UHFFFAOYSA-N 466.138 4.899 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CCC[C@H](CBr)CC1 381081865 AZBPCFYKEYMXLM-JTQLQIEISA-N 454.000 4.849 50 10 JJGE Cc1cc(CCl)cc(S(=O)(=O)N2CC[C@H](COCc3ccccc3)C2)c1Br 383998365 KLNRBDOICFBCEP-KRWDZBQOSA-N 472.832 4.724 50 10 JJGE CC[C@H]1[C@@H](CCl)CCN1C(=O)c1cc(Br)ccc1I 385647179 KPZZQEIKJIUBHL-RNCFNFMXSA-N 456.549 4.533 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H]2C[C@H](Br)CC[C@H]2C1 398739833 OTCMGRWYAHMJAQ-QJPTWQEYSA-N 468.560 4.580 50 10 JJGE CC(/C=C\c1ccccc1)=NNC(=O)COc1ccc(Br)cc1Br 1084220995 ZSOICLUSEVPAER-IRUSHPATSA-N 452.146 4.796 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC1CCC2(CC1)CN(C(=O)OC(C)(C)C)C2 1257754154 JWMZDLNELOSVKG-UHFFFAOYSA-N 475.721 4.662 50 10 JJGE C=C(C)c1cccc(NC(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)c1 1640179975 MRYPPHVPLXUYOL-UNOMPAQXSA-N 459.937 4.658 50 10 JJGE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683405 COZQLECXROKNHH-LJQANCHMSA-N 455.743 4.874 50 10 JJGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865691916 DWHKHPJZVJKXBX-JOCHJYFZSA-N 494.979 4.781 50 10 JJGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865700929 HUOPXAROOMPBCP-QHCPKHFHSA-N 458.562 4.736 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)c1OCc1cccc(C)c1 1865705528 YLRVBGCJFABLDA-DEOSSOPVSA-N 458.562 4.962 50 10 JJGE CCOc1cccc2cc(-c3cc(=O)oc4cc(OC(=O)C(Cl)Cl)ccc34)c(=O)oc12 1871385466 UMEVKWBBJWWGMP-UHFFFAOYSA-N 461.253 4.674 50 10 JJGE Cc1ccc(COc2cccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c2)cc1 1873795079 QSGOALXMJIWQDG-JEWPKMHUSA-N 453.583 4.964 50 10 JJGE Cc1cccc(C(=O)N[C@@H](CBr)CC2CCCC2)c1I 1926727763 LFDRKTGAXGJURU-CYBMUJFWSA-N 450.158 4.673 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CCC(CI)CC1 1949201513 DGVWFEGCBFYNGY-UHFFFAOYSA-N 493.002 4.560 50 10 JJGE C[C@]1(CBr)CCCCN1c1ncc(I)cc1Br 2015763299 WTPRPULGEBNRLH-GFCCVEGCSA-N 473.978 4.593 50 10 JJGE CCOC(=O)C(C#N)=Cc1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c(OC)c1 2053490380 JTFAGYIAWPXWLT-UHFFFAOYSA-N 472.497 4.975 50 10 JJGE CCN(C[C@](C)(CI)OC[C@H]1CCCC(C)(C)O1)C(=O)OC(C)(C)C 2065754160 APGAMIQRBWZMOU-BEFAXECRSA-N 469.404 4.801 50 10 JJGE C[C@H]1CCCN(c2ncc(I)cc2Br)[C@H]1CCBr 2069529319 POGXTYKYUFWBNM-CABZTGNLSA-N 488.005 4.839 50 10 JJGE C[C@H]1C[C@H](Cl)CCN(C(=O)c2cc(Br)ccc2I)C1 2103287234 PBCNNISIQTYFAX-GXSJLCMTSA-N 456.549 4.533 50 10 JJGE O=S1(=O)C[C@@H]2CCC[C@]2([C@H](Br)c2cc(Br)sc2Br)C1 2137227696 MSRBUDHHUQIGCG-KOLSJAJHSA-N 493.080 4.924 50 10 JJGE CC(C)(C)OC(=O)NCCCN(C[C@@H](CBr)c1ccccc1)CC(F)(F)F 2163064040 SIGQSHHGTQGENO-MRXNPFEDSA-N 453.343 4.944 50 10 JJGE CS(=O)(=O)C1([C@@H](Br)c2scc(C(F)(F)F)c2Br)CCC1 2166699499 OLJGDANNXYAUEZ-VIFPVBQESA-N 456.143 4.933 50 10 JJGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@@H](Br)CCC12CCC2 2174533186 RKDIBZMYEKUXDN-QMMMGPOBSA-N 463.644 4.635 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@H](C(F)(F)CBr)C1 2197753711 FAJCGNLMXXPSMJ-QMMMGPOBSA-N 475.953 4.704 50 10 JJGE CC1(C)CCCN(C(=O)c2ccc(Br)cc2I)[C@H]1CCl 2207260490 GHADOHFEXZOUPI-ZDUSSCGKSA-N 470.576 4.923 50 10 JJGE CC[C@@H](Br)[C@@H]1CCCCN1C(=O)c1ccc(C)c(I)c1 2232827251 AQWISHVXMCORKM-HIFRSBDPSA-N 450.158 4.768 50 10 JJGE Cc1ccc(I)c(C(=O)NCC[C@H]2CCCC[C@H]2Br)c1 2240902156 XEPGHOXUVRMQOO-TZMCWYRMSA-N 450.158 4.673 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CCCC[C@H](CBr)C1 2295307633 MLURQYPHBSPICZ-LLVKDONJSA-N 468.027 4.778 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)C(C#N)=C2C)cc1 2314617703 VCKAROVXKGQDAU-UHFFFAOYSA-N 452.514 4.550 50 10 JJGE CCCCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(N)=O)cc2OC)cc1OC 2314737992 FGBYDBSLJHIVIM-UHFFFAOYSA-N 478.545 4.674 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@]2(CBr)CC[C@H]1C2 2336464931 WUTDJMNWXNHEIF-JSGCOSHPSA-N 451.984 4.601 50 10 JJGE COc1ccc(C[C@H](Br)c2c(Br)c(Br)nn2C)cc1 2338690707 KHNZBLDDGXUXJW-JTQLQIEISA-N 452.972 4.632 50 10 JJGE CC(C)[C@@H]1C[C@@H](Br)CN1C(=O)c1ccc(I)c(Cl)c1 2344768794 JGZNCHDCGXUBMV-MFKMUULPSA-N 456.549 4.579 50 10 JJGE CC(C)(CI)CN1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1 2351617317 DBWRCMRKHJISKF-ZWKOTPCHSA-N 472.411 4.688 50 10 JJGE CC(C)CN1C[C@H](Br)[C@H](Cc2cc(I)ccc2Cl)C1 2352432097 OTHKELBOAYHTJS-OCCSQVGLSA-N 456.593 4.838 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CC[C@H]2CC[C@@H](Cl)[C@@H]1C2 2358308482 BZPBZDSZBUIGAA-IUPBHXKESA-N 468.560 4.676 50 10 JJGE FC(F)(F)[C@@H]1CN(Cc2ccc(Cl)c(I)c2)C[C@H]1CBr 2362374523 ZNXLMQCXEMARLE-NXEZZACHSA-N 482.509 4.950 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2CC(Br)C[C@@H](C2)C1 2364245858 ATZKHYFSURRQHX-NXEZZACHSA-N 468.560 4.580 50 10 JJGE COc1ccc(-c2n[nH]c3c2[C@H](c2cccc(OC(=O)c4cccs4)c2)C(C#N)=C(N)O3)cc1 8567389 SGQIGSHKRCUYFG-HXUWFJFHSA-N 470.510 4.584 50 10 JJGE CC(C)c1ccc(OCC(=O)NNC(=O)c2ccc(Cl)cc2Cl)c(Br)c1 12580334 WEYGYSIUUKXCHJ-UHFFFAOYSA-N 460.155 4.719 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccccc2OC(F)F)c(C)n1CCC(C)C 33597602 QJBZQVJIUBQOFL-UNOMPAQXSA-N 459.493 4.841 50 10 JJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1OC 38680823 MDEFEHGEUCKSQB-AREMUKBSSA-N 484.508 4.706 50 10 JJGE COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3Cl)nc3ccccn3c2=O)c1 39858674 KZNVEDGDRBIFKU-SSZFMOIBSA-N 472.888 4.694 50 10 JJGE Cc1ccccc1C(=O)NNc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-] 40607320 APGJIGAUCPNNCA-UHFFFAOYSA-N 468.517 4.657 50 10 JJGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 58889887 YMBZXPHGTCWZAJ-CHVMBPBASA-N 497.935 4.800 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C(C)C)cc1 206404832 RPCAURWOOHPKSN-BKUYFWCQSA-N 474.513 4.619 50 10 JJGE COC(=O)/C(C#N)=C\c1cccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c1 206687946 VIGRIEVDZBKKBS-QBFZZLNASA-N 469.493 4.973 50 10 JJGE CCc1ccccc1-n1c(SCC(=O)/C(C#N)=C2\Nc3ccccc3N2C)nc2ccccc2c1=O 209878817 QLFLXSGDZLSQQV-LHLOQNFPSA-N 493.592 4.906 50 10 JJGE BrCc1cc(I)c(Br)cc1Br 575694869 PLSDDLFSFPVDMI-UHFFFAOYSA-N 454.725 4.711 50 10 JJGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1ccc(Br)cc1Br 686179642 PPFCHCRXLHOUMW-NVBBAKCQSA-N 466.011 4.988 50 10 JJGE CN(C)Cc1cccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1 914844987 DEISBITVEWPMOH-XSFVSMFZSA-N 458.953 4.724 50 10 JJGE Cc1cc(C=NNC(=O)COc2cccc(Cl)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1084602830 TWCFLVGXJQNOPC-UHFFFAOYSA-N 460.317 4.628 50 10 JJGE COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)c1 1858912251 SIZIGMMTWQIKCG-UHFFFAOYSA-N 478.486 4.717 50 10 JJGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCC)c(OCC)c1 1865689084 JPHCOXHVCNOBOY-HSZRJFAPSA-N 474.561 4.984 50 10 JJGE CSCC[C@@H](NC(=O)[C@H](Cc1ccncc1)c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866706196 IQKTWGIZHMANSK-DNQXCXABSA-N 490.654 4.858 50 10 JJGE CC(C)CCN(CCBr)c1ncc(C(F)(F)F)cc1I 1924500152 ATLNTZJKBAQANV-UHFFFAOYSA-N 465.095 4.952 50 10 JJGE CN(CCN(Cc1ccccc1)S(=O)(=O)Cc1ccc(CCl)cc1)Cc1ccccc1 1946826591 IMYCYOQTTPNIQY-UHFFFAOYSA-N 457.039 4.889 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(OC2CC(C(F)(F)F)C2)CC1 1947650626 NFGTYSVVSFOULB-UHFFFAOYSA-N 463.278 4.549 50 10 JJGE ClCCC1(Nc2ncc(I)cc2Br)CCSCC1 2069531751 MHTJSGRUIJHANS-UHFFFAOYSA-N 461.594 4.755 50 10 JJGE CC[C@@H](C)[C@H](CBr)NC(=O)c1ccc(Br)cc1I 2086146824 FSVRBNZJUAXBOJ-PELKAZGASA-N 488.989 4.593 50 10 JJGE O=C(NC[C@]1(CBr)CC12CCC2)c1csc(Br)c1Br 2097904627 QNLCCIFJCYADHA-CYBMUJFWSA-N 472.040 4.958 50 10 JJGE C[C@@H]1CN(Cc2cc(Br)ccc2Br)C[C@H](CCBr)O1 2122801945 XPQIUIMASNLTFD-MFKMUULPSA-N 456.016 4.586 50 10 JJGE CN([C@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1 2123210999 SCUQUNLZBKAYEL-RBUKOAKNSA-N 458.805 4.603 50 10 JJGE O=C(c1ccc(Br)cc1I)N1[C@H]2CCC[C@H]1CC(Cl)C2 2207268713 VBJAZCGSRWTHGE-RYUDHWBXSA-N 468.560 4.818 50 10 JJGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)Cc1cccc(Br)c1 2210632756 ILGMJOYKBSRZRA-CQSZACIVSA-N 461.219 4.565 50 10 JJGE CCN(C[C@@](C)(CI)OC1(C2CCCCC2)COC1)C(=O)OC(C)(C)C 2272935441 PMEBJVAGJYIEPZ-LJQANCHMSA-N 481.415 4.803 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@@](C)(F)C(C)(C)F)C1 2307652198 LYYJYYZNIRRVLP-SJORKVTESA-N 461.331 4.684 50 10 JJGE N#CC(=Cc1ccccc1I)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630559 OFAUTYRRZMQPHS-UHFFFAOYSA-N 459.312 4.649 50 10 JJGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CCN3C(=O)c4ccccc4C3=O)n2)cc1C 2331402806 UHOMKVAFCBEJKQ-UHFFFAOYSA-N 459.527 4.915 50 10 JJGE O=S1(=O)C[C@@H]2CCC[C@]2([C@@H](Cl)c2sc(Cl)cc2I)C1 2338558968 QZUUHMLAULPBOC-QILRFPOHSA-N 451.178 4.501 50 10 JJGE CC1(C)COC[C@@H]1CO[C@](C)(CI)c1ccccc1Br 2364410411 ZSJXJVGUOKRXRS-MLGOLLRUSA-N 453.158 4.789 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1C[C@H]2CCC[C@]2(CBr)C1 2365596627 AMDSHCKZEXXAPK-BMIGLBTASA-N 468.560 4.582 50 10 JJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2cccc3ccccc23)c(Br)c1 14832299 LKHPPYJWRRMFQX-INIZCTEOSA-N 485.378 4.721 50 10 JJGE CCOC(=O)C1=C(C)N=C2SCCCN2[C@H]1c1cccc(NC(=O)C(C)(C)CCl)c1 16613726 JNBRCTPUJOVENX-SFHVURJKSA-N 450.004 4.577 50 10 JJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1 38683544 UROWRHOEGLLTJH-NDEPHWFRSA-N 490.515 4.993 50 10 JJGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(F)cc4F)c(C)c32)c1 40822460 SUXNLIACESOFBP-TURZUDJPSA-N 453.445 4.598 50 10 JJGE CCCc1ccc(OCC(=O)N/N=C/c2ccc(OC)c(Br)c2)c(Br)c1 40960013 XCWQWKNLTBXJMW-SSDVNMTOSA-N 484.188 4.702 50 10 JJGE CCCN(CCC)c1ccc(C(=O)N/N=C2\C(=O)N(CCOc3ccccc3)c3ccccc32)cc1 59157334 JEHOKTDEZGBVLC-IKPAITLHSA-N 484.600 4.873 50 10 JJGE O=C1c2ccccc2C(=O)N1CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 114003196 UOHHQQHMZIIYNK-UHFFFAOYSA-N 450.498 4.667 50 10 JJGE CN(C(=O)c1ccc(Br)cc1Br)[C@H]1CCCC[C@H]1Br 234315743 JZEMKCJZZPEWFU-YPMHNXCESA-N 454.000 4.990 50 10 JJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OC)cc3)cc2OC)cc1 254837020 ZMFAGCZUGIMGAC-UHFFFAOYSA-N 476.529 4.866 50 10 JJGE COc1cc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)ccc1F 382705571 SJLBLMHKRBNZMB-SJORKVTESA-N 469.294 4.622 50 10 JJGE COc1ccsc1[C@@H](Br)c1cc(I)cc2c1OCC2 388492579 DLTOAULDEKKILE-LBPRGKRZSA-N 451.123 4.781 50 10 JJGE O=C(CBr)c1cc(Br)cc(I)c1C(F)F 575687027 SSQDMEKYFVLHOL-UHFFFAOYSA-N 453.846 4.569 50 10 JJGE Cc1ccc(OCCCNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 725722909 AOEKCWGCBDDYBC-LTGZKZEYSA-N 473.964 4.918 50 10 JJGE O=C(NN=CC1=C(N2CCOCC2)/C(=C/c2cccc([N+](=O)[O-])c2)CC1)C12CC3CC(CC(C3)C1)C2 885857393 OJYAYSHTIMTBQC-WROXJEKGSA-N 490.604 4.677 50 10 JJGE O=C(COc1ccc(Br)cc1Br)NN=Cc1cc(Cl)cc(Cl)c1O 1083891788 APTDOWXANXGOBW-UHFFFAOYSA-N 496.970 4.753 50 10 JJGE C[C@@H](Sc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 1084234142 NSHNNQZVSDUCAM-QGZVFWFLSA-N 467.978 4.988 50 10 JJGE COc1cc(C=NNC(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(C(=O)O)cc1 1084353981 WSXFTLXKRSECGP-UHFFFAOYSA-N 498.333 4.891 50 10 JJGE COc1cc(C=NNC(=O)c2ccc(Br)cc2)cc(OC)c1OCc1ccccc1 1115816593 CFQTXITWEZYVJB-UHFFFAOYSA-N 469.335 4.809 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1ccc(C(=O)O)cc1 1865709037 MAQQQIKRLHPBPP-QFIPXVFZSA-N 466.472 4.654 50 10 JJGE Cc1ccc(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1[N+](=O)[O-] 1865759744 PWKLJIGETQIXLF-UHFFFAOYSA-N 459.289 4.655 50 10 JJGE N#C/C(=C(/O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(F)c(F)c2)cs1 1872751530 MBLCDHPOMRENSG-SILNSSARSA-N 451.454 4.957 50 10 JJGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CN2C(=O)c3ccccc3C2=O)n1 1872756955 JPNZJWHGUYBYCA-ZPHPHTNESA-N 465.918 4.869 50 10 JJGE CC(C)(C)OC(=O)N1CC(N(C[C@H](CBr)C2CCC2)OCc2ccccc2)C1 1884744778 WKQLFQYOTBTECA-IBGZPJMESA-N 453.421 4.851 50 10 JJGE CC[C@@H](C)[C@@H](Br)CNC(=O)c1cc(I)ccc1Br 2029976407 CAKOOWBTBOPYPD-PELKAZGASA-N 488.989 4.593 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H]2CC[C@@]1(CBr)C2 2032953171 DFROLAGSQQIJLI-MADCSZMMSA-N 458.013 4.663 50 10 JJGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CO[C@@H]2COC[C@H]21 2040324145 CNTTUINQPJHCEK-VODXULPGSA-N 481.431 4.977 50 10 JJGE O=C(NC[C@H](CBr)C(F)(F)F)c1scc(Br)c1Br 2043317782 QURHTABQYKJPPP-BYPYZUCNSA-N 473.934 4.576 50 10 JJGE C=CCC[C@@H](CBr)NC(=O)c1cc(Br)ccc1I 2075328055 CWKFRYQLSLCJIB-JTQLQIEISA-N 486.973 4.513 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@@H]2CCC[C@]2(CBr)C1 2103171005 GCDHAZXDROXVRT-SDBXPKJASA-N 472.040 4.910 50 10 JJGE O=C(N[C@@H](CBr)c1cccs1)c1ccc(I)c(Cl)c1 2119041018 XINHNKCAWJYILD-NSHDSACASA-N 470.557 4.872 50 10 JJGE Cl[C@@H]1CC[C@H]2CCN(c3ncc(I)cc3Br)C[C@@H]2C1 2139262911 SMGANZZAFZQLKZ-GARJFASQSA-N 455.565 4.683 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H](CCl)C12CCC2 2190356581 XOZZZXPRJVUCDG-NSHDSACASA-N 468.560 4.677 50 10 JJGE Cc1cc(Br)c([C@@H](Br)C2(S(C)(=O)=O)CC2)c(C)c1Br 2227353125 RYJHOKGNFSZFFI-GFCCVEGCSA-N 475.040 4.842 50 10 JJGE C[C@@H]1CCC[C@](CI)(OCCOCCOCCOCc2ccccc2)C1 2227781465 XJEUDNSAQQSEJO-CTNGQTDRSA-N 476.395 4.637 50 10 JJGE CC1(C)CN(C(=O)c2cc(I)ccc2Br)C[C@H]1CCCl 2238455990 FQDVOFCYMBLJHM-SNVBAGLBSA-N 470.576 4.781 50 10 JJGE CC1CC(CBr)(CN=[S@@](=O)(CCNC(=O)OC(C)(C)C)c2ccccc2)C1 2280055847 UPURYCKSSUWABL-OEVPYNCISA-N 459.450 4.849 50 10 JJGE COc1ccc([C@H](Br)[C@@H]2OCC[C@@H]2C(F)(F)F)cc1I 2285010632 OURDURSJHKEHIU-KPXOXKRLSA-N 465.047 4.703 50 10 JJGE CCOc1ccc(NC(SCc2cccc([N+](=O)[O-])c2)=C(C#N)C(=O)NCc2ccco2)cc1 2297414579 NUKBQDZPFQOTFF-UHFFFAOYSA-N 478.530 4.983 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@]2(CC[C@@](C)(CI)O2)[C@H]1C(F)(F)F 2303934657 HFAOQPHGMNQIIX-CQDKDKBSSA-N 463.278 4.691 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccccc1C 2314760303 KFKHHDCPNZEEBV-UHFFFAOYSA-N 488.540 4.975 50 10 JJGE Cc1ccc(S(=O)(=O)NCC(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 2331241513 SFKALEVNZFLJMJ-UHFFFAOYSA-N 465.600 4.769 50 10 JJGE C=CC[C@@H](Br)[C@H]1CCN1C(=O)c1cccc(Br)c1Br 2335817907 NVSJPDWCNHOJDB-ZYHUDNBSSA-N 451.984 4.766 50 10 JJGE CC(C)[C@@H]1C[C@H](Br)CN1C(=O)c1ccc(Br)cc1Br 2344615741 VJJZJWHPFIIGKI-GWCFXTLKSA-N 454.000 4.846 50 10 JJGE C=CCn1c(SCC(=O)N/N=C/c2ccccc2)nc2scc(-c3ccc(C)cc3)c2c1=O 8950472 AFRKBTURXDTVAT-VULFUBBASA-N 474.611 4.862 50 10 JJGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)c1ccc(OCCC(C)C)cc1 14643377 ZDKNWXGBMLPFFT-QGZVFWFLSA-N 477.399 4.719 50 10 JJGE O=C(CBr)Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)cc1 21003659 ULQCGKUOFRQXHD-UHFFFAOYSA-N 451.276 4.613 50 10 JJGE O=C(CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N/N=C\c1ccc(Br)cc1 33154870 IWZGSBRZLVXVGG-VROXFSQNSA-N 476.680 4.990 50 10 JJGE Cc1ccc(C(=O)NNc2ncnc(N(Cc3ccccc3)Cc3ccccc3)c2[N+](=O)[O-])cc1 40607316 IRJVGJWNCPNCRH-UHFFFAOYSA-N 468.517 4.657 50 10 JJGE O=C(NNc1ncnc(N(Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-])c1ccc(Cl)cc1 40657832 VXCZJDGRSWECQS-UHFFFAOYSA-N 475.896 4.528 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)ccc1C 40934682 QUWNDPLTQVCIGW-FYJGNVAPSA-N 474.513 4.503 50 10 JJGE COc1cccc(C(=O)N/N=C2/C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)c1 59159811 FLTQKLFZVXKGDQ-URGPHPNLSA-N 461.521 4.966 50 10 JJGE O=S(=O)(Nc1ccc(I)c(Br)c1)c1ccc(CCl)cc1 312331424 JFQRYAYPWKSNSP-UHFFFAOYSA-N 486.556 4.593 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N[C@](C)(CBr)C(C)C)cc1Br 398569218 NVQAZRMNPLIFSK-CYBMUJFWSA-N 492.071 4.608 50 10 JJGE FC1(F)CCN(Cc2cc(Cl)ccc2I)C[C@H]1CBr 405293224 JBHMGMCTPXPNNB-SNVBAGLBSA-N 464.519 4.797 50 10 JJGE O=C(NCCc1ccccn1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237809 NGHKHHBULNDOCC-FQEVSTJZSA-N 481.927 4.834 50 10 JJGE CC(=NNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccc(F)cc1 1084087098 MZHUUXIEYMZHLI-UHFFFAOYSA-N 473.577 4.824 50 10 JJGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccc(-c2ccc(Br)cc2)o1 1084259818 FLDGKUBKDFXHGF-UHFFFAOYSA-N 455.337 4.828 50 10 JJGE C#CC[C@H](NC(=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1 1151314902 SBYJYXLYQGIPSJ-MHZLTWQESA-N 455.674 4.834 50 10 JJGE CC(=O)c1ccc(Oc2ccc(C(=O)NNc3nc(-c4ccccn4)nc(C)c3C)cc2)cc1 1654332859 NSJLMAMVKGHTPY-UHFFFAOYSA-N 453.502 4.907 50 10 JJGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696938 UNRYGXGSYJJIPZ-SFHVURJKSA-N 471.742 4.774 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865698142 LKRIXNXXNWNTPI-DEOSSOPVSA-N 478.508 4.537 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccccc1OC)C(C#N)=C(N)O2 1865709474 CHFNSEJHEOLQRD-HXUWFJFHSA-N 465.351 4.814 50 10 JJGE C=Cc1ccccc1OCC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1867263486 VWPRPNQENIOECJ-HSZRJFAPSA-N 457.555 4.648 50 10 JJGE CC(C)NCc1cc(Br)c(OC[C@H]2C[C@H]2Br)c(Br)c1 1887832948 LTELIPOSJUSEML-GHMZBOCLSA-N 456.016 4.872 50 10 JJGE C[C@@H](CBr)CN(C)Cc1ccc(I)c(Br)c1 1904340234 WWLZSPCQNYOPDX-VIFPVBQESA-N 460.979 4.517 50 10 JJGE COc1c(Br)cc(Br)cc1C[C@H](CCl)NC(=O)OC(C)(C)C 1975053650 NBOCPYPUCNOSRW-LLVKDONJSA-N 457.590 4.895 50 10 JJGE CC[C@H](C)[C@H](CI)NC(=O)c1cc(Br)ccc1Br 2081235160 CEOKJRCJUADGKQ-UFBFGSQYSA-N 488.989 4.791 50 10 JJGE C[C@H](Br)[C@@H]1CCCN(C(=O)c2c(Br)cccc2Br)C1 2094096565 ZABHEHYYTXBIEV-VHSXEESVSA-N 454.000 4.847 50 10 JJGE CC1(C)[C@H](CBr)CCN1C(=O)c1ccc(Br)cc1Br 2095211438 AVYPZLWMJNNKMY-VIFPVBQESA-N 454.000 4.847 50 10 JJGE Cc1cc(Br)c(CCl)c(-n2ccnc2CCCN2C(=O)c3ccccc3C2=O)c1 2116806280 QALHRWYDQJBFTH-UHFFFAOYSA-N 472.770 4.911 50 10 JJGE CC1(C)CC(CCl)(CNC(=O)c2cc(Br)ccc2I)C1 2158308149 HZMKPDMQHXBYFU-UHFFFAOYSA-N 470.576 4.829 50 10 JJGE O=C(NC12CCC(CCl)(CC1)C2)c1ccc(I)c(Br)c1 2189320652 CFWXMPKSERZDBC-UHFFFAOYSA-N 468.560 4.725 50 10 JJGE Cc1cc(C(=O)N[C@@H](CBr)C2CCCCC2)ccc1I 2207109614 ZIMUUJJTZKIXHF-HNNXBMFYSA-N 450.158 4.673 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@@H](Br)CCC12CC2 2227506387 QHXJSXCYZHGNSI-JTQLQIEISA-N 451.984 4.744 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@H]2CC[C@H]1C[C@@H]2NC(=O)OC(C)(C)C 2248821349 QEZNCDTZSOBAAF-MLHJIOFPSA-N 475.721 4.564 50 10 JJGE CC(C)C[C@H](CBr)CNC(=O)c1ccc(Cl)c(I)c1 2268358904 NEHRLGGNEXSFKN-SNVBAGLBSA-N 458.565 4.732 50 10 JJGE C[C@]1(CNC(=O)c2ccc(Br)cc2I)CCC[C@H]1Cl 2271296022 UVZVVTHANJRQJS-TZMCWYRMSA-N 456.549 4.581 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1CCC[C@H](Br)C1 2277935427 GOIFKPBJVNKGJI-GXFFZTMASA-N 454.000 4.576 50 10 JJGE CS(=O)(=O)[C@H]1C[C@H]([C@@H](Br)c2scc(C(F)(F)F)c2Br)C1 2285280653 LKSZKKJLXDDWLT-ATRFCDNQSA-N 456.143 4.789 50 10 JJGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@H]2CCCO2)ccc1OC(C)C 2296703481 VYONFKARWQLCLM-RUZDIDTESA-N 470.573 4.837 50 10 JJGE N#CC(=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 2297551409 IGBUZDTYHZCBOF-UHFFFAOYSA-N 492.831 4.921 50 10 JJGE CC(C)N(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)CC(C)(C)CI 2306809477 JPSJQLMHWCKARW-INIZCTEOSA-N 452.421 4.805 50 10 JJGE CC(C)(CI)CN1C[C@@H](NC(=O)OC(C)(C)C)CC12CCCCC2 2306816658 SYWRFMOTVMXEAR-HNNXBMFYSA-N 450.405 4.750 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(O)c(OCC)c2)sc2c1CC[C@@H](C)C2 2314572285 XQGJZQOFXZXWDZ-CQSZACIVSA-N 454.548 4.700 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(Cl)c(C)c1 2314737262 VAKXMWQVAKDTLX-UHFFFAOYSA-N 490.943 4.865 50 10 JJGE Cc1c(C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 2331331794 STIWLXKMBXADBH-UHFFFAOYSA-N 466.431 4.656 50 10 JJGE CC(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1ccc(Cl)cc1I 2340056445 DZLMGWFEVAWOJI-WCQYABFASA-N 456.549 4.579 50 10 JJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)Cc3ccc(Cl)cc3)cc2)cc1 14001902 HAWKXSRFCMDSLN-UHFFFAOYSA-N 463.965 4.894 50 10 JJGE CC(C)CCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 14036676 MXESNNOPLQEGNU-UHFFFAOYSA-N 466.365 4.598 50 10 JJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1 14653091 PZELQVIPHGSEKY-INIZCTEOSA-N 477.399 4.837 50 10 JJGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)c1 38651454 MRFUDRHBQMVMQM-QFIPXVFZSA-N 477.314 4.895 50 10 JJGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc21 38681352 MVQMZCOEUHYJEF-AREMUKBSSA-N 474.488 4.817 50 10 JJGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)c1 40530200 XVWHMGPODBBWSJ-RUZDIDTESA-N 456.498 4.921 50 10 JJGE COc1ccc(Cl)cc1Nc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1N 40702519 SWWQZIWEQLPGTA-UHFFFAOYSA-N 474.952 4.740 50 10 JJGE CN1C(=O)CCc2cc([C@@H](Br)c3ccc(I)cc3)ccc21 62807031 LGKJOJQZZYSKIN-KRWDZBQOSA-N 456.121 4.685 50 10 JJGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)c1 205659999 LFALOOUCGUDLPV-GFOJTHJDSA-N 468.509 4.931 50 10 JJGE C=C1C(N=C=O)=CC2=C(NC(=O)NC3=C4C=C(N=C=O)C(=C)[C@H]3c3ccc4cc3)[C@H]1c1ccc2cc1 223740233 RYEMCRFTEAHFAO-WMPKNSHKSA-N 470.488 4.882 50 10 JJGE O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NN=Cc1cccc2ccccc12)c1cccs1 254624504 IZPIXNBGKAOSQJ-DEOSSOPVSA-N 466.566 4.874 50 10 JJGE aggregator Cc1ccccc1OCC(=O)NN=Cc1cccc(OC(=O)c2cccc(Br)c2)c1 254855795 ZWXJFCZYDBENCB-UHFFFAOYSA-N 467.319 4.506 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2C[C@H]2C(C)(C)C)C1 703464840 SPLHJLZFPQNVAD-QMTMVMCOSA-N 451.389 4.890 50 10 JJGE Cn1cc(CC(CBr)(CBr)c2ccccc2F)c(Br)n1 714088416 HYTFQIXWJPLVSP-UHFFFAOYSA-N 468.990 4.592 50 10 JJGE CCC[C@H](CCBr)NC(=O)c1cc(I)ccc1Br 716853199 BBTKDLPSZFJNLM-SNVBAGLBSA-N 488.989 4.737 50 10 JJGE C[C@@H](Cl)[C@@H]1CCCN(C(=O)c2ccc(I)c(Br)c2)C1 721505464 AZMZLAJZVHOIGO-MWLCHTKSSA-N 456.549 4.533 50 10 JJGE O=C(NCC[C@H]1CCCO1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238693 WKSOXULWINLHLN-APWZRJJASA-N 474.932 4.765 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c(-c2ccc(Cl)cc2)n1 842532881 HRBDUGCHVQWQMO-FGSNJIQSSA-N 499.018 4.977 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)OCc2noc(-c3ccc(Cl)cc3)n2)c(-c2ccccc2)n1 914597690 CPZWCEHJEUVHAP-CPNJWEJPSA-N 484.903 4.818 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OC 1083928683 QKVLJJBBOKZOMQ-CXUHLZMHSA-N 476.314 4.861 50 10 JJGE COc1c(C(=O)NN=Cc2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)ccc2ccccc12 1083990455 NSOZQJUTACEHMX-UHFFFAOYSA-N 474.538 4.688 50 10 JJGE COc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c(OC)c1 1084530383 HBBZMRHEVIAZRF-UHFFFAOYSA-N 489.359 4.507 50 10 JJGE COC(=O)COc1ccccc1C=NNC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1 1084582730 JQKGWFKZUIVKJU-UHFFFAOYSA-N 467.525 4.768 50 10 JJGE O=C(NN=C1c2ccccc2C[C@H]1NC(=O)c1cccc(Cl)c1)Nc1ccc(Cl)cc1 1088700591 NOMAZPXOGYBTCA-HXUWFJFHSA-N 453.329 4.874 50 10 JJGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NCc5cccnc5)c(C)c43)coc2c1C 1772752163 WLUXQSGYWUEZIE-UHFFFAOYSA-N 484.556 4.675 50 10 JJGE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683404 COZQLECXROKNHH-IBGZPJMESA-N 455.743 4.874 50 10 JJGE CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1 1865704883 GWXFWXVVVMJVOQ-LJQANCHMSA-N 454.452 4.956 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OC)cc1)C(C#N)=C(N)O2 1865715091 VXTAWNYFQVUMTP-OAQYLSRUSA-N 452.917 4.903 50 10 JJGE Cc1cccc(OCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)c1C 1865759234 PHOVOSPHIKMQHM-UHFFFAOYSA-N 458.345 4.821 50 10 JJGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4cccnc4)C3)nc(-c3cccnc3)n2)cc1 1868566146 UZISBHIWMHIPJF-JOCHJYFZSA-N 467.558 4.828 50 10 JJGE BrCc1cc(Br)cc(Br)c1OC[C@@]12CCOC[C@H]1C2 1880394532 FAVAQRBBOCFIHU-YGRLFVJLSA-N 454.984 4.912 50 10 JJGE CCn1cc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)nc1Br 1915267230 CAVBXXDDPJMVNK-INIZCTEOSA-N 457.210 4.727 50 10 JJGE C[C@H]1C[C@@H](CBr)CCN1C(=O)c1csc(Br)c1Br 2052360333 PXAWJHZBPVPCJZ-YUMQZZPRSA-N 460.029 4.909 50 10 JJGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(F)cc1F 2057403917 KOUGTUIPHOWDQC-LBPRGKRZSA-N 452.748 4.983 50 10 JJGE CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12CI 2080598062 FSCNQGWVBRCFHP-JJKVLNBSSA-N 498.401 4.682 50 10 JJGE CCC[C@H](CCBr)NC(=O)c1ccc(Br)cc1I 2086154685 WSAZIJQDQFKMQK-SNVBAGLBSA-N 488.989 4.737 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NCC2(CBr)CCCCCC2)C1 2106783225 YDAKQCWEWNHICB-YHAMSUFESA-N 451.471 4.735 50 10 JJGE CC1(C)C[C@H](Br)CCN1C(=O)c1cc(Cl)ccc1I 2113586715 QJHQIMIHZCEBAP-SECBINFHSA-N 456.549 4.723 50 10 JJGE COc1cc(F)c(Br)cc1[C@H](Br)c1cn(C)nc1Br 2116553439 CBWXRTHQOXRNKG-NSHDSACASA-N 456.935 4.577 50 10 JJGE F[C@@H]1CCO[C@H]1CC(CBr)(CBr)c1ccccc1Br 2122533917 SLAIYQDCPFYLFM-OLZOCXBDSA-N 458.991 4.994 50 10 JJGE C[C@H](Br)CCCc1cn(-c2ccc(I)cc2Cl)nn1 2132766370 YGFWWBCNBDKOLS-VIFPVBQESA-N 454.537 4.631 50 10 JJGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cnn(C)c1I 2139005549 IWYYCRBLTAIMQX-LLVKDONJSA-N 499.972 4.589 50 10 JJGE CCn1nccc1CC(CBr)(CBr)c1ccccc1Br 2150670935 KATWWPJHBVXYKC-UHFFFAOYSA-N 465.027 4.936 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Br)C2 2190680614 XGIUGEIBIOOSQO-WTFGDDLMSA-N 469.974 4.690 50 10 JJGE Cl[C@@H]1CN(c2ncc(I)cc2Br)C2(CCCCC2)C1 2232297466 MLNDEOBYZRGQLL-JTQLQIEISA-N 455.565 4.969 50 10 JJGE C[C@@]1(CBr)C=CCCN1C(=O)Cc1cc(Br)cc(Br)c1 2295314656 AVNWCBRQBWKJGZ-HNNXBMFYSA-N 466.011 4.696 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccccc2)cc1 2295650046 CWPNQIXZUSRPEJ-UHFFFAOYSA-N 455.539 4.945 50 10 JJGE COc1ccc(NC(=O)C(C#N)=Cc2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)cc1Cl 2297382207 VDJIKFQXJCSMGD-UHFFFAOYSA-N 467.894 4.744 50 10 JJGE Brc1cc(CN2C[C@H](Br)C3(CCC3)C2)ccc1I 2325227049 WLRSVYZAUUEVTF-ZDUSSCGKSA-N 485.001 4.803 50 10 JJGE Fc1cc(I)c(-n2c(Cl)nc(Cl)c2CBr)cc1F 2326758472 UMVCZRXTBWUSBY-UHFFFAOYSA-N 467.866 4.957 50 10 JJGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3)n2)c1 2331325074 GRVIQLGLFMRLMX-UHFFFAOYSA-N 455.923 4.703 50 10 JJGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)c1 2331325237 ANUWAHXYULDKHK-UHFFFAOYSA-N 468.447 4.902 50 10 JJGE CC(C)c1csc(C(C#N)=C(O)CCCN2C(=O)c3ccc(Br)cc3C2=O)n1 2331329817 KQGVPLFNBBSVEA-UHFFFAOYSA-N 460.353 4.898 50 10 JJGE CC(C)[C@@H](Br)C(C)(C)NC(=O)c1ccc(I)c(Cl)c1 2340407572 UTVWVSYBYIWYND-GFCCVEGCSA-N 458.565 4.873 50 10 JJGE Clc1ccc(CN2C[C@H]3C[C@H](Br)CC[C@H]3C2)c(I)c1 2341027000 GKWDEOXDVCJYHD-CYZMBNFOSA-N 454.577 4.940 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1[C@H]2CCC[C@H]1CC(Br)C2 2365592549 OLQKMPAXHCMCHG-RYUDHWBXSA-N 468.560 4.865 50 10 JJGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)c1 14644986 MXJQEZCOKFEFPJ-UHFFFAOYSA-N 491.613 4.640 50 10 JJGE CCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1 38608527 NOJUDLDKASOEDR-LPYMAVHISA-N 458.514 4.777 50 10 JJGE CCCCCC(=O)NC1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)CC1 748190165 DZIZVXYKYFTYHJ-HKOYGPOVSA-N 460.622 4.997 50 10 JJGE CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2nnc(-c3ccccc3Br)o2)c1C 799418367 GCODQCDPPWKDRK-GZTJUZNOSA-N 469.339 4.978 50 10 JJGE O=C(COc1ccccc1-c1ccccc1)NNC(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 1086999963 ZKWRYPPJXWYDJP-RTWAWAEBSA-N 454.448 4.702 50 10 JJGE CC(C)(C)OC(=O)Nc1cc(NS(=O)(=O)c2ccc(CBr)cc2)ccc1F 1260510463 GCNYSVGRORRFQC-UHFFFAOYSA-N 459.337 4.868 50 10 JJGE C=CCC[C@@H](NC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 1680634008 WIKDUSSKMLHXFP-AUUYWEPGSA-N 453.436 4.650 50 10 JJGE CCCCN1C(=O)C(=NNC(=O)CCCCCNC(=O)c2ccccc2Cl)c2cc(C)ccc21 1772720993 YMAQBZVEGOLCAF-UHFFFAOYSA-N 483.012 4.606 50 10 JJGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1865706396 VTLPCUNIRGOXNI-INIZCTEOSA-N 475.814 4.979 50 10 JJGE COc1ccc(CCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1OC 1865759737 PTLGIQSROQWKKU-UHFFFAOYSA-N 488.371 4.775 50 10 JJGE CCOc1cc(/C=N/NC(=O)[C@@H](N)Cc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 1873793614 SNEZLXBDEACHKD-HRMYGOSUSA-N 486.399 4.991 50 10 JJGE O=C(Cc1cnn(Cc2ccccc2)c1)N(Cc1ccccc1)C1(CBr)CCC1 1915755470 AYSCTYDUCPFNCZ-UHFFFAOYSA-N 452.396 4.820 50 10 JJGE Cl[C@H](c1csnc1Br)c1cc(I)cc2c1OCC2 1925247575 MCQRPINQLFAFIU-JTQLQIEISA-N 456.530 4.773 50 10 JJGE Cc1nn(-c2ccc(Br)cc2CBr)c(C)c1I 1945162307 OYYQBVNPIMHPQF-UHFFFAOYSA-N 469.946 4.751 50 10 JJGE CCN(C[C@](C)(CI)OC1CC(C(F)(F)F)C1)C(=O)OC(C)(C)C 1947650572 MPGAIUBPIZPVOJ-QOZQQMKHSA-N 465.294 4.795 50 10 JJGE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)NCC1CC(Br)C1 2020169049 PFZYNRXVXWPSBT-UHFFFAOYSA-N 462.182 4.699 50 10 JJGE Fc1ccc(Br)c(CO[C@@H](CCl)[C@@H](I)CCl)c1 2025680587 JDRFFJPDHCWRHE-QWRGUYRKSA-N 455.920 4.755 50 10 JJGE FC(F)(F)CN(CCBr)Cc1ccc(Br)cc1Br 2031402767 LHQIMTGZOOAGNR-UHFFFAOYSA-N 453.922 4.971 50 10 JJGE FC(F)c1c(CBr)ccc(I)c1I 2060237274 HYPGRXUIQHOSPI-UHFFFAOYSA-N 472.836 4.728 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2CC[C@@]1(CBr)C2 2089726866 ANDWJDFQFQNYFM-XPTSAGLGSA-N 451.984 4.601 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@@H](Br)CC12CC2 2113561960 PTTMDSJBGBAURG-SNVBAGLBSA-N 451.984 4.744 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@H](Br)[C@H]2CC[C@@H]21 2133722555 JYEBKQYIBYXDBY-QRTLGDNMSA-N 451.984 4.600 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1csc(Br)c1Br 2139716056 XSUSILFAFVYTTI-YIKMNZTOSA-N 472.040 4.955 50 10 JJGE Cc1nn(C)c(Br)c1[C@@H](Br)c1cc2c(cc1Br)OCC2 2185753806 JJHYKDNCMLCVKL-ZDUSSCGKSA-N 464.983 4.673 50 10 JJGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CCn3ncnc3C2)c1Br 2203708084 ZVEDOIDEJGXAMP-OTYXRUKQSA-N 463.999 4.810 50 10 JJGE CN(C(=O)c1ccc(Br)cc1I)[C@@H](CCCl)C(F)(F)F 2207260952 SFMHNKYAISRAAW-JTQLQIEISA-N 484.481 4.686 50 10 JJGE O=C(c1c(Br)cccc1Br)N1[C@H]2CC[C@H](Br)[C@H]1CC2 2229865040 WWVQWPKOBKPRPZ-HOTUBEGUSA-N 451.984 4.742 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Br)o2)sc2c1CC[C@H](C)C2 2296817769 OQTXCCDZQXOSFT-NSHDSACASA-N 463.353 4.951 50 10 JJGE Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 2297391133 PLXFEIBIMBPSBE-UHFFFAOYSA-N 469.328 4.864 50 10 JJGE CCOC(=O)c1cccc(-n2c(C)cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)c1 2313567876 ONRVPTCBQKZSGM-UHFFFAOYSA-N 482.584 4.527 50 10 JJGE O=S1(=O)C[C@@H]2[C@H]([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)[C@@H]2C1 2314445299 ONGSMVUWNHODGZ-NBMJBFSESA-N 486.225 4.755 50 10 JJGE Cc1ccc(C)c(OCCCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)c1 2314759959 BHSUDTIAWOBKBI-UHFFFAOYSA-N 458.514 4.884 50 10 JJGE CCOc1ccc(N(C(=O)C(C#N)=Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 2314777657 OVIOOBLJQSFUDM-UHFFFAOYSA-N 476.554 4.731 50 10 JJGE Cc1cc(I)ccc1NC=C(C#N)C(=O)N1CCC(Cc2ccccc2)CC1 2324765199 FBHWICVKWPYSBR-UHFFFAOYSA-N 485.369 4.900 50 10 JJGE COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)cc1Cl 3330029 VDJIKFQXJCSMGD-NTEUORMPSA-N 467.894 4.744 50 10 JJGE COc1cc(/C=N/N(C(=O)c2ccco2)c2nc3ccc(F)cc3s2)cc(OC)c1OC 9148803 NGBOFUAVHFAPDB-WYMPLXKRSA-N 455.467 4.735 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 38654411 UGYMWABGECOGEI-OAQYLSRUSA-N 492.285 4.795 50 10 JJGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)c1 38678487 YXSDIGZDKDLHOX-JOCHJYFZSA-N 477.314 4.895 50 10 JJGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812604 FJPXHRMCTCWOIX-WPWMEQJKSA-N 465.893 4.693 50 10 JJGE Cc1c(C(=O)NCc2ccccn2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813664 FCGJWBJTEPMELQ-MTDXEUNCSA-N 471.344 4.690 50 10 JJGE O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1 59104101 WCJGPWGLKYFXDR-RPPGKUMJSA-N 473.312 4.800 50 10 JJGE COc1ccc(Br)cc1/C=N/NC(=O)CCCNc1ccc(Br)cc1 59507580 IMOVZUSKOKBEJT-WSDLNYQXSA-N 469.177 4.563 50 10 JJGE CCOc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(Br)c1OCC(=O)O 59639254 YTRSIDIAXYQOSK-AUWJEWJLSA-N 456.296 4.560 50 10 JJGE C/C(CC(=O)Nc1ccc(Cl)cc1C)=N\NC(=O)COc1ccc(Br)cc1C 101633145 ODTIJEXKGZFCLU-ZVHZXABRSA-N 466.763 4.619 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccccc1 206739221 MLJJNSWMKWCPCE-PGMHBOJBSA-N 474.513 4.666 50 10 JJGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1cccc2c(O)cccc12 217253794 TZJBTQLPQVEHBL-OWBHPGMISA-N 469.282 4.917 50 10 JJGE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)o1 254296394 SHFHKZBUSQFMOZ-UHFFFAOYSA-N 455.470 4.549 50 10 JJGE CCN(CC)c1ccc(/C=C2\CCC(C=NNC(=O)c3ccoc3C)=C2N2CCOCC2)cc1 254379161 VKBWPQLSODTUSS-LZLJLWIISA-N 462.594 4.614 50 10 JJGE CCCOc1ccc(C=NNC(=O)CSc2nnc(SCc3ccccc3)s2)cc1 254703531 GJIOMHMVZGXITI-UHFFFAOYSA-N 458.634 4.862 50 10 JJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccccc2OC)cc1OC 254754945 WXTKEHHEFKQWBH-UHFFFAOYSA-N 484.508 4.849 50 10 JJGE Cn1ncc([C@H](Br)Cc2ccc(C(F)(F)F)cc2)c1I 381646028 WTQFIPVFXAELDP-LLVKDONJSA-N 459.047 4.722 50 10 JJGE C[C@@H](Br)[C@@H]1CCCN(c2ncc(C(F)(F)F)cc2I)C1 686112924 PFLMDLCLHPNCDM-RKDXNWHRSA-N 463.079 4.705 50 10 JJGE O=S(=O)(NC1(CCBr)CCCC1)c1cc(Cl)c(Br)s1 687282223 DJYLCSPCSMNIAC-UHFFFAOYSA-N 451.633 4.540 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CC[C@H]2CC[C@@H](Cl)[C@H]1C2 721512483 HIMMHCNIPZAXHL-GAJTVXKRSA-N 468.560 4.676 50 10 JJGE O=C(N[C@@H](CCl)C1CCCC1)c1ccc(I)c(Br)c1 721591714 DPBDROIJJAPQHO-ZDUSSCGKSA-N 456.549 4.581 50 10 JJGE CCCCOc1ccc(C=NNC(=O)CCCC(=O)Nc2ccc(Br)cc2)cc1 725404666 VXAKCAXMOLDOHK-UHFFFAOYSA-N 460.372 4.887 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865684191 MYGATSPOGRRJNB-QHCPKHFHSA-N 468.488 4.670 50 10 JJGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865697286 ZFBIXKBEEPCZJD-IBGZPJMESA-N 481.350 4.520 50 10 JJGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707383 VPHGWMLWMNYZIN-OAQYLSRUSA-N 464.953 4.696 50 10 JJGE COc1cc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OC(=O)c1ccccc1 1872728574 JXMAMCRQORABDF-WOJGMQOQSA-N 458.426 4.658 50 10 JJGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(F)c4)cs3)cc2C1=O 1872752796 SOZHGAPWVZCDCI-PYCFMQQDSA-N 493.516 4.540 50 10 JJGE O=C(CBr)c1ccc(Br)c(I)c1C(F)F 2054781348 OBROAOZCXRKJEG-UHFFFAOYSA-N 453.846 4.569 50 10 JJGE Clc1cc(CN2CCSC[C@@H]2CCBr)ccc1I 2086652693 RENKUAICNNQCFF-NSHDSACASA-N 460.606 4.647 50 10 JJGE Cn1ncc(Br)c1C[C@H](CBr)Cc1cccc(Br)c1 2087324718 CASQPEWNMLWREM-LLVKDONJSA-N 451.000 4.741 50 10 JJGE CC[C@]1(NC(=O)c2ccc(CBr)cc2)CCCN(C(=O)OCc2ccccc2)C1 2106200730 HZJPVANRUSHVTN-QHCPKHFHSA-N 459.384 4.893 50 10 JJGE CC(C)[C@H]1[C@H](Cl)CCN1C(=O)c1cc(Br)ccc1I 2126095025 SEMQGTMAMYEOBV-YPMHNXCESA-N 456.549 4.532 50 10 JJGE CN(C(=O)c1ccc(Br)cc1Br)C1(CCBr)CCC1 2140972705 PDLAUDSTQBYRCK-UHFFFAOYSA-N 454.000 4.991 50 10 JJGE O=C(NC[C@]1(CBr)CC12CCC2)c1ccc(Br)cc1Br 2154204862 PHULIUILLHAPTI-OAHLLOKOSA-N 466.011 4.897 50 10 JJGE CC[C@@H](C)[C@H](CI)NC(=O)c1cc(Br)c(F)cc1Cl 2270438120 NZMPZCCQLCYUGD-KRTXAFLBSA-N 462.528 4.821 50 10 JJGE CCC(CBr)(CBr)NC(=O)c1cc(Br)c(F)cc1C 2270445873 KRCCQHNGDSXOFZ-UHFFFAOYSA-N 459.979 4.565 50 10 JJGE CC(CC(=O)Nc1ccc(Cl)c(Cl)c1)=NNC(=O)COc1ccc(Br)cc1C 2297710561 UBSUEYDHVNZILU-UHFFFAOYSA-N 487.181 4.964 50 10 JJGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 2314611118 QZNJDZQJJXHQQI-SFHVURJKSA-N 478.552 4.863 50 10 JJGE CN(C)c1ccc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2318455465 UNFZARGIZYALLE-UHFFFAOYSA-N 465.601 4.506 50 10 JJGE C[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@@H](C)C1Br 2325221434 GRHKCZXGDZZQCC-NXEZZACHSA-N 487.017 4.905 50 10 JJGE C[C@@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)CC1=O 2331330818 JAHHYKFLDXUQLL-LPHOPBHVSA-N 473.554 4.984 50 10 JJGE Clc1ccc(CN2C[C@H]3CCC[C@]3(CBr)C2)c(I)c1 2341005375 NKXNQDDPQGLRCW-DOMZBBRYSA-N 454.577 4.942 50 10 JJGE CC(C)(C)[C@](C)(CBr)CN1C[C@H](NC(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F 2380163129 CSAKXAUDGZTZPX-JTNHKYCSSA-N 455.281 4.508 50 10 JJGE CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccc(O)c(OC)c1 20572875 JEJPPIQRBWXKQM-QJTDOHDFSA-N 457.324 4.624 50 10 JJGE CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2ccccc2Br)c1C 24001448 DWIMXZOFKYDEDF-IQFISFIMSA-N 458.356 4.755 50 10 JJGE COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)c1OCc1ccc(F)cc1 32520671 VHALIBDSYYOYKB-LGJNPRDNSA-N 464.522 4.532 50 10 JJGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NC3CCCC3)c(Oc3ccc(Br)cc3)nc12 35124206 UXLXYAFIMNWHNH-SSZFMOIBSA-N 493.361 4.524 50 10 JJGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)c1 38684944 BYWOPNZBRMCHKR-MHZLTWQESA-N 470.525 4.905 50 10 JJGE COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)CC(=O)Nc3cccc(C)c3C)c2C)cc1 39200781 INPDTVCAQSWFSS-HAHDFKILSA-N 470.573 4.724 50 10 JJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OC(C)C)c(OC)c2)c(OC)c1 40950614 LHMPYWOISHCYBW-UKRUMFJESA-N 465.502 4.580 50 10 JJGE CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 59484815 JVERZEIEWIGMRQ-RIYZIHGNSA-N 460.284 4.700 50 10 JJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C1=O 214295888 UAGBAHIWHZWYCM-UQQQWYQISA-N 480.568 4.867 50 10 JJGE CCCCOc1ccc(C=NNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1 252604850 GEKRHFNBFGNWGJ-UHFFFAOYSA-N 493.629 4.828 50 10 JJGE CO[C@@H]1[C@H](Br)C[C@H]1Oc1c(Br)cc(Br)cc1Br 252839695 CEONJCHWSKHDHM-FXPVBKGRSA-N 493.815 4.904 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)NN=Cc2cc([N+](=O)[O-])ccc2N2CCCCCC2)cc1 254699780 ZJAQTWGVBYXXKU-UHFFFAOYSA-N 452.555 4.802 50 10 JJGE C[C@H](Br)CC(C)(C)CNC(=O)c1cc(Cl)ccc1I 393554955 OMTZMKIBNOIGSE-VIFPVBQESA-N 458.565 4.874 50 10 JJGE CC1(CBr)CCN(C(=O)c2ccc(I)c(Cl)c2)CC1 401532593 ISKKAOXPECOSHQ-UHFFFAOYSA-N 456.549 4.582 50 10 JJGE CC(C)(C)OCc1cccc(CNC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)c1 726281023 VZMJSIXHFMFMCG-UHFFFAOYSA-N 479.552 4.864 50 10 JJGE CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)c1C 855634336 AZSZDCKJMBAVFI-YNGKYYQNSA-N 461.518 4.941 50 10 JJGE Cc1ccc(C(=O)N[C@H]2Cc3ccccc3C2=NNC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 1088698690 QAKPRPDFKFBBAW-NRFANRHFSA-N 482.462 4.774 50 10 JJGE C#CCN1CCC[C@H](NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C1 1634554953 MXFKEZQYSBRSAM-ACSPXDACSA-N 455.389 4.522 50 10 JJGE C=CCC[C@@H](NC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 1680634009 WIKDUSSKMLHXFP-IFXJQAMLSA-N 453.436 4.650 50 10 JJGE COc1ccc(OCCCOc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858692271 DRTNGAKIQCQPQW-UHFFFAOYSA-N 457.414 4.596 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)ccc1O 1865681870 YWFSZWZAQCZPGV-IBGZPJMESA-N 470.451 4.581 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1 1865693188 IAVRZMYSGRNIAN-IBGZPJMESA-N 454.452 4.876 50 10 JJGE Cc1oc(-c2ccc(Cl)cc2)nc1CC(=O)N[C@H](C)C(=O)Nc1ccc(SC#N)cc1 1866668770 CMHOITIKDMJYNQ-CYBMUJFWSA-N 454.939 4.563 50 10 JJGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 1873795522 OIVTUASVPZPNKJ-WMPMWDHYSA-N 459.974 4.918 50 10 JJGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1COCCOC1 2024260647 UNINMKPNHBLPTN-QMMMGPOBSA-N 469.420 4.979 50 10 JJGE C[C@H]1CN(C(=O)c2csc(Br)c2Br)C[C@@H](C)[C@@H]1Br 2032953563 LQLZKWFTTXMFNW-QMSLJYSESA-N 460.029 4.765 50 10 JJGE CC(C)(C)N1C[C@H](Br)[C@H](Cc2cc(Cl)ccc2I)C1 2100724480 WNCRHOVKYXXDJQ-YPMHNXCESA-N 456.593 4.981 50 10 JJGE C[C@H]1CC[C@H](CBr)N(C(=O)c2ccc(Br)cc2Br)C1 2110616820 MZPZLZVJHDLSJW-GXSJLCMTSA-N 454.000 4.847 50 10 JJGE Cn1cc(Br)c(CC(CBr)(CBr)c2cccc(F)c2)n1 2143636076 XFLBWYDWBQIVGT-UHFFFAOYSA-N 468.990 4.592 50 10 JJGE Cn1nc([C@@H](Cl)c2cc(I)cc3c2OCC3)c(Br)c1Cl 2167051386 UUVWMGFDKFCIFK-JTQLQIEISA-N 487.950 4.704 50 10 JJGE CC(C)[C@@H](CI)NC(=O)c1cc(Br)cc(C(F)(F)F)c1 2172409280 UWANXQHZCJSTDB-LLVKDONJSA-N 464.063 4.657 50 10 JJGE O=S(=O)(N[C@@H](CBr)[C@H]1CC=CCC1)c1cc(Cl)c(Br)s1 2196145797 HRAXAEJJWIDTJR-WPRPVWTQSA-N 463.644 4.562 50 10 JJGE CCN(C(=O)c1c(Br)cccc1Br)[C@@H]1CCC[C@@H]1Br 2224422276 YDDHZQIXBKPTHV-JOYOIKCWSA-N 454.000 4.990 50 10 JJGE O=C(c1sccc1I)N1C[C@H](Br)CC12CCCCC2 2232252463 GYXWFIMUYDGCIQ-SNVBAGLBSA-N 454.171 4.665 50 10 JJGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(F)c(F)cc1F 2277437223 MZCKMKYDNDFGGJ-QGZVFWFLSA-N 450.320 4.714 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CCC[C@@H]1CCBr 2277924037 BQVOCMZWFMXQNY-CYBMUJFWSA-N 454.000 4.530 50 10 JJGE Cc1ccc(Br)c(C(=O)N[C@@H](CCBr)COCc2ccccc2)c1 2303545249 OWIUQJIFLOVQPI-INIZCTEOSA-N 455.190 4.858 50 10 JJGE Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 2313545968 SGIMCLOWVXDGLR-UHFFFAOYSA-N 469.545 4.567 50 10 JJGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OCc2ccc(C)cc2)c1 2328826160 MQKHIXVNWIPULM-QFIPXVFZSA-N 471.623 4.671 50 10 JJGE BrCC1(COCc2cc(Br)cc(Br)c2)CCOCC1 2337112946 GNGSYRRAUHCPKX-UHFFFAOYSA-N 457.000 4.920 50 10 JJGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2[C@H]3OCC[C@@H]32)c1Br 2339655900 IKGKFMDZBOUXAA-ROBVANNZSA-N 454.984 5.000 50 10 JJGE C[C@H]1CC[C@](CBr)(NC(=O)c2ccc(Cl)cc2I)C1 2340055035 QUEHMZJCVAENEZ-XPTSAGLGSA-N 456.549 4.628 50 10 JJGE CC(C)C[C@@H](CBr)CN=S1(=O)CCC2(CC1)CN(C(=O)OC(C)(C)C)C2 2353824973 HDYKGSHOHOSZND-INIZCTEOSA-N 451.471 4.543 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CCC2(CC1)C[C@H]2CBr 2365591713 IEECVVNRGHXMGO-JTQLQIEISA-N 468.560 4.582 50 10 JJGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)N2c3ccccc3Sc3ccccc32)cc1 13988874 JHIXGULHTCKYEZ-UHFFFAOYSA-N 476.558 4.848 50 10 JJGE CCCCN(CCCC)Cc1ccc(C(=O)NNC(=S)Nc2ccc(Cl)cc2OC)o1 20734847 IBPAGPYAEWLVBS-UHFFFAOYSA-N 467.035 4.975 50 10 JJGE CN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc2)cc1 31901265 CIRILFYNUOMRRS-HKWRFOASSA-N 466.946 4.874 50 10 JJGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3C)ccc21 38681391 MPVGUEROFMGAPZ-MHZLTWQESA-N 470.525 4.986 50 10 JJGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813090 QNHZUAGXMVZLIQ-XHLNEMQHSA-N 483.484 4.767 50 10 JJGE O=C(Nc1ccccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 59464381 OVBUUAGMWQHYOP-WYMPLXKRSA-N 457.273 4.918 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(Br)c(Br)o2)cc1 97024066 VSDMLOGVGLQQMX-AWQFTUOYSA-N 458.150 4.631 50 10 JJGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)c(OC)c1 206397044 KFPQAUVKVQXNNG-NHFKTHAYSA-N 498.535 4.555 50 10 JJGE Cc1cccc(OCC(=O)NN=Cc2ccc(OC(=O)c3cccc(Br)c3)cc2)c1 254482520 SZMDTOJGXZVAGK-UHFFFAOYSA-N 467.319 4.506 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3C)n2-c2ccc(OC)cc2)cc1 254823536 GBVKYODJMSJZKD-UHFFFAOYSA-N 487.585 4.502 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H](CBr)C1)c1cc(Cl)ccc1I 380100481 MZZMRVPQVYVUDP-GHMZBOCLSA-N 470.576 4.876 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@@H](c2cccc(I)c2)C1 394775063 INJAZRWYMWCSJM-TZMCWYRMSA-N 466.157 4.637 50 10 JJGE C[C@H]1[C@H](Cl)C[C@H]2CC[C@H]1N2C(=O)c1ccc(I)c(Br)c1 721596119 ZVUBOALWLPGVTK-NVBBAKCQSA-N 468.560 4.674 50 10 JJGE CC(=O)CCc1ccc(OCc2cccc(C(=O)NNC(=O)c3ccccc3Br)c2)cc1 727364946 XUBPRIQEJYMZMQ-UHFFFAOYSA-N 495.373 4.625 50 10 JJGE Cc1ccc(N(CC(=O)NN=Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084244842 RPCJXCXMBMHPGI-UHFFFAOYSA-N 476.385 4.647 50 10 JJGE COc1cc(C=NNC(=O)c2cccc(Br)c2)ccc1Oc1ccccc1[N+](=O)[O-] 1084293930 IDJBINCVICIMRY-UHFFFAOYSA-N 470.279 4.922 50 10 JJGE O=C(NN=C1c2ccc(F)cc2C[C@@H]1N1Cc2ccccc2C1=O)Nc1ccc(OC(F)(F)F)cc1 1088691852 AGSXBJSWCJWXJA-NRFANRHFSA-N 498.436 4.831 50 10 JJGE CC(C)(C)N(NC(=O)Nc1cc(Cl)ccc1I)C(=O)c1ccccc1 1088717866 XMRAOUTWZWNAQW-UHFFFAOYSA-N 471.726 4.922 50 10 JJGE C#CCNC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C 1358442920 DUQQBLIYZDDADA-HMMYKYKNSA-N 456.933 4.656 50 10 JJGE CCOc1ccc(OCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 1772752914 YSRVZONGMGHITE-UHFFFAOYSA-N 468.937 4.855 50 10 JJGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707001 LIOUYRNUQATNGW-LJQANCHMSA-N 471.344 4.733 50 10 JJGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865707973 KUYVMDQUOIPHQH-OAQYLSRUSA-N 450.926 4.714 50 10 JJGE COc1cc(/C=N\NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc([N+](=O)[O-])c1O 1865762518 LQZNLHKFVCQMFU-VROXFSQNSA-N 475.288 4.750 50 10 JJGE Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3cccc(OCc4ccc(Cl)cc4)c3)ccc12 1873792415 BQFQRWCDFUMFMW-CCVNUDIWSA-N 476.916 4.863 50 10 JJGE CCOc1cc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OCc1ccccc1 1873792825 ODQHLPFJGNCNOP-JEWPKMHUSA-N 469.582 4.664 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@@H](Cl)Cc1c(Br)cccc1Br 1884183715 CNFIGOSMUSBHFT-JTQLQIEISA-N 457.549 4.658 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@H]1[C@H](CBr)NC(=O)OC(C)(C)C 1885098472 YZLKXTMTJDCTMD-HRCADAONSA-N 461.441 4.996 50 10 JJGE O=C(NCC[C@@H]1CCC[C@H]1Br)c1cc(Br)cc(Br)c1 1913719941 AIGRPLGHZJHDRD-TVQRCGJNSA-N 454.000 4.895 50 10 JJGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 1914228043 LXRIECWDDIMQMV-LBPRGKRZSA-N 456.134 4.783 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@@]2(CCC[C@H]2Br)C1 1918949637 YSJCQQNSDGBCNJ-DOMZBBRYSA-N 466.011 4.991 50 10 JJGE O=C(N[C@@H](CBr)CC1CCCCC1)c1sccc1I 1926771308 XUFPOJFBVQDMBO-LLVKDONJSA-N 456.187 4.816 50 10 JJGE CCC[C@@H]1CN(c2ncc(I)cc2Br)C[C@@H]1CBr 2084891075 XEQPISGBCYNSBO-ZJUUUORDSA-N 488.005 4.696 50 10 JJGE O=C(N[C@H]1CCC[C@H]1CCCl)c1cc(I)ccc1Br 2090560777 TZCJEIGMSRMWRB-ZANVPECISA-N 456.549 4.581 50 10 JJGE C[C@H](Br)[C@H]1CCCN(C(=O)c2c(Br)cccc2Br)C1 2094096564 ZABHEHYYTXBIEV-UWVGGRQHSA-N 454.000 4.847 50 10 JJGE C[C@@H]1CC[C@H](CBr)N(C(=O)c2cc(Cl)ccc2I)C1 2110617177 PATLBOKXGPTASG-MWLCHTKSSA-N 456.549 4.580 50 10 JJGE CCC(CC)(CBr)CN=S1(=O)CCC2(CC1)CN(C(=O)OC(C)(C)C)C2 2119541834 PTDBGHQYKQLNTL-UHFFFAOYSA-N 451.471 4.687 50 10 JJGE COc1cc(Cl)c([C@H](Cl)c2cnn(C)c2I)cc1Br 2137636714 HPJYQUDAEJUCNS-NSHDSACASA-N 475.939 4.777 50 10 JJGE COc1cc(F)c([C@@H](Br)c2cn(C)nc2Br)cc1Br 2138148104 JMMGIPCMCIHDCO-LLVKDONJSA-N 456.935 4.577 50 10 JJGE CC1(C)[C@H](Br)CC[C@H]1NC(=O)c1cc(Br)cc(Br)c1 2142137134 QCRIHULVTQHTJF-VXGBXAGGSA-N 454.000 4.894 50 10 JJGE O=C(c1cc(Br)ccc1I)N1[C@H]2CCC[C@@H](Cl)[C@H]1CC2 2154101125 MOWNHFNVAHHVGP-ZKYQVNSYSA-N 468.560 4.818 50 10 JJGE C[C@@H]1CCN(S(=O)(=O)c2ccc(CBr)c(Cl)c2)CCN1Cc1ccccc1 2179791283 PFKIPOANGTUVRA-MRXNPFEDSA-N 471.848 4.520 50 10 JJGE CN(C(=O)OC(C)(C)C)[C@@]12CCC[C@@H](CN(CCCCCI)C1)C2 2214707983 HKJFXYXUFBHLAF-VQIMIIECSA-N 450.405 4.703 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@@H](CCCCl)C1 2234185329 GZGGXOZRCBSWEK-LLVKDONJSA-N 470.576 4.925 50 10 JJGE Cc1ccc(I)c(C(=O)N2CCC[C@H](C)[C@H]2CCBr)c1 2240925924 ROCPJLSBVILOCV-SWLSCSKDSA-N 450.158 4.625 50 10 JJGE CCCCOC(=O)c1cc(-c2ccc(C=C3C(=O)N(C[C@H](C)O)C(=O)C(C#N)=C3C)o2)ccc1Cl 2297313657 VFSPCTRXNQHHFD-HNNXBMFYSA-N 496.947 4.530 50 10 JJGE CCN(CC)c1ccc(C=C2SC(NNC(=O)c3ccc(Cl)cc3Cl)=NC2=O)cc1 2297550995 DABWJKIJVYCVEK-UHFFFAOYSA-N 463.390 4.745 50 10 JJGE O=C(c1csc(Br)c1Br)N1[C@H]2CC[C@@H]1C[C@H]2CBr 2309693006 NRHKHOGVYVHRTG-OOZYFLPDSA-N 458.013 4.661 50 10 JJGE FC(F)(CBr)[C@H]1CCN(Cc2ccc(Cl)cc2I)C1 2341011837 NPIHOXXFBOBOHD-JTQLQIEISA-N 464.519 4.797 50 10 JJGE Cn1ncc(I)c1-n1c(CCl)nc2cc(Br)c(Cl)cc21 2381858504 VATYZCSKOKUSFX-UHFFFAOYSA-N 485.938 4.518 50 10 JJGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 13980330 UJKGSTBHKHSOLE-IBGZPJMESA-N 459.546 4.601 50 10 JJGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccccc2)c1 33365278 WJOLDWQADMNGJK-JCMHNJIXSA-N 471.538 4.750 50 10 JJGE O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1ccnc(C23CC4CC(CC(C4)C2)C3)c1 35521158 HHOKDRUHXALOIG-UHFFFAOYSA-N 474.388 4.696 50 10 JJGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccccc12)NNC(=O)COc1ccccc1 39867156 YTEISFYECVEZQO-UHFFFAOYSA-N 478.552 4.932 50 10 JJGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O 39894271 KIPDPUCWVVAIOV-FOWTUZBSSA-N 450.417 4.699 50 10 JJGE O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cc(Br)c(N2CCCC2)o1 59678660 AIYYQEZOCYKVQH-MFKUBSTISA-N 468.351 4.838 50 10 JJGE CCCOc1c(OC)cc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1[N+](=O)[O-] 169890100 VOKNHDXIUQATJJ-QFEZKATASA-N 450.495 4.516 50 10 JJGE CCC(CC)(CBr)CNS(=O)(=O)c1cc(Cl)c(Br)s1 230256689 VRQNKABMMWMUQZ-UHFFFAOYSA-N 453.649 4.644 50 10 JJGE CN1/C(=C/C=NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)C(C)(C)c2ccccc21 252511678 JNFJCQDGQMLXFU-HVHYMLJISA-N 480.615 4.576 50 10 JJGE O=C(NC1(CBr)CCCCCC1)c1cccc(F)c1I 721677865 ISRAMRIDELTQED-UHFFFAOYSA-N 454.121 4.648 50 10 JJGE CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OC 725443755 VFDNAFLJLRBJCT-MHWRWJLKSA-N 476.314 4.943 50 10 JJGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2ccc(F)cc2)cc1)c1cccc(Cl)c1Cl 1084294847 QUIZCYMCNOEADI-UHFFFAOYSA-N 494.375 4.863 50 10 JJGE N#CC1=NN(c2ccccc2)[C@@H](c2ccccc2)C2=C1OC(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])cc1 1088670206 OGXLMZAMDHFHEG-NOZRDPDXSA-N 474.480 4.798 50 10 JJGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2)c1cccc(C)c1 1772748908 YNUSHNVDPUCJMT-UHFFFAOYSA-N 488.544 4.871 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc(OC)c1O 1865713994 ANUYDXYHCNRREE-HSZRJFAPSA-N 498.514 4.678 50 10 JJGE COCCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)C[C@@H]1C 1868565434 JJYKFAUXCFYPCN-PMACEKPBSA-N 489.649 4.791 50 10 JJGE BrCCCCCNCc1ccc(I)c(Br)c1 1904345402 GAMHOQBBVBMOBS-UHFFFAOYSA-N 460.979 4.709 50 10 JJGE Clc1ccc(I)cc1CO[C@@H]1CCC[C@@H]1I 1904938458 YZVDTDBHSLYNPD-NWDGAFQWSA-N 462.496 4.817 50 10 JJGE O=C(NCC[C@H]1CCC[C@@H]1Br)c1scc(Br)c1Br 1913750940 GZGFXMBSUNPALS-SFYZADRCSA-N 460.029 4.957 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@@]2(CCC[C@@H]2Br)C1 1918949643 YSJCQQNSDGBCNJ-WFASDCNBSA-N 466.011 4.991 50 10 JJGE CC(C)CCN(CCBr)C(=O)c1ccc(I)c(Cl)c1 1924455597 DDLRPQWWMKUSJU-UHFFFAOYSA-N 458.565 4.828 50 10 JJGE CC(C)[C@H](CI)NCc1cc(Br)ccc1Br 1982458147 SBQQYTOJTZKKKT-LBPRGKRZSA-N 460.979 4.761 50 10 JJGE CN([C@@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1 2123210992 SCUQUNLZBKAYEL-MOPGFXCFSA-N 458.805 4.603 50 10 JJGE CC1([C@@H](CBr)NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1 2150535473 JXJFGRPMLAHKMW-SNVBAGLBSA-N 466.022 4.598 50 10 JJGE C[C@H](CCCCCI)NCc1cc(Br)cc2c1OCC2 2174523759 NJVKCYKFZGRTHL-GFCCVEGCSA-N 452.174 4.858 50 10 JJGE CCN(Cc1ccsc1)S(=O)(=O)c1cc(CBr)sc1Br 2189884945 QKYZDQUIDXYYGO-UHFFFAOYSA-N 459.250 4.678 50 10 JJGE C[C@H](CBr)CC1CN(c2ncc(C(F)(F)F)cc2I)C1 2239116036 CHOVIDUKVLCDBL-QMMMGPOBSA-N 463.079 4.562 50 10 JJGE CCCN(C[C@H](C)Br)C(=O)c1cc(Br)ccc1I 2259761188 HMTONSCYSUTJRQ-VIFPVBQESA-N 488.989 4.689 50 10 JJGE C[C@H](Br)CC(C)(C)CNC(=O)c1ccc(Cl)c(I)c1 2268348730 YBQYBYSZPUXOBU-VIFPVBQESA-N 458.565 4.874 50 10 JJGE Cc1ccc(CSc2nnc(SCC(=O)NN=CC=Cc3ccccc3[N+](=O)[O-])s2)cc1 2293757860 OEZXBAYBDZDBNP-UHFFFAOYSA-N 485.616 4.955 50 10 JJGE CC[C@@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@@H]1CBr 2295314268 VXONYYFULQLSPQ-NEPJUHHUSA-N 468.027 4.634 50 10 JJGE O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=Cc1ccccc1)NC(=O)c1ccccc1 2297321328 FOWCLWLRDSTESM-UHFFFAOYSA-N 480.480 4.776 50 10 JJGE CCOc1ccc(-n2c(C)cc(C=C(C#N)C(=O)O[C@@H](C(=O)N(C)C)c3ccccc3)c2C)cc1 2297492294 DQCCBXMOSDWDCD-AREMUKBSSA-N 471.557 4.773 50 10 JJGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3C)nc3ccccn3c2=O)cc1C 2314532558 KZXNLMIWINZRSD-UHFFFAOYSA-N 450.498 4.958 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)C=Cc1ccc(C)cc1 2314753966 HJACKINSZLNBEU-UHFFFAOYSA-N 456.498 4.829 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCCCCC(F)(F)C(F)(F)F)C1 2315799083 JNWNFPSHOHMJMB-WDEREUQCSA-N 487.247 4.794 50 10 JJGE CCS(=O)(=O)C[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2317423341 JHJNWZXENCOVKE-QMMMGPOBSA-N 466.992 4.530 50 10 JJGE O=C(c1c(Br)cccc1Br)N1[C@H]2CC[C@@H]1[C@H](CBr)C2 2329065759 DCPGNNBQAVHTNO-HOTUBEGUSA-N 451.984 4.600 50 10 JJGE CC(C)[C@H](Cl)c1cn(Cc2ccc(I)c(Br)c2)nn1 2349847975 ONCGFJCWDGURRO-ZDUSSCGKSA-N 454.537 4.629 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@](C)(=O)=NC[C@@](C)(CBr)C(C)(C)C)C1 2352081075 MUWNEGPZZXYFBY-OZYPFOEYSA-N 453.487 4.835 50 10 JJGE O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cc(Cl)cc(Cl)c1O 13986033 HSIZJWSZDNWERU-CGOBSMCZSA-N 452.519 4.644 50 10 JJGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 14036165 SGEWEGGVVVCYMO-UHFFFAOYSA-N 475.614 4.723 50 10 JJGE Cc1cc(Cl)ccc1Nc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40590644 IYJCMODMDJREHI-UHFFFAOYSA-N 497.726 4.919 50 10 JJGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Cl)CCC3)c1 40812585 RRCPDWUMODVYIY-MTDXEUNCSA-N 481.936 4.981 50 10 JJGE CCCCCOc1ccc(/C=N/NC(=O)COc2ccc(Br)c(C)c2)cc1OC 40910992 DDHGJCKFWIAIKV-ZVHZXABRSA-N 463.372 4.864 50 10 JJGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1cc(Cl)ccc1O 58990226 KDPAVRMTRWXZEU-JVWAILMASA-N 492.004 4.654 50 10 JJGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 101337337 KEIZGYQBDBIBFY-IGPUNGKJSA-N 462.933 4.690 50 10 JJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCCC(C)C)c(OC)c3)C2=O)cc1 101340314 FNBYNTTUYONYAR-LFVJCYFKSA-N 488.584 4.964 50 10 JJGE O=S(=O)(NCC1(CCl)CCCCC1)c1cc(Br)ccc1Br 131524934 KFQYZODDRGKPOJ-UHFFFAOYSA-N 459.631 4.679 50 10 JJGE Cc1ccc(COc2ccccc2/C=N\NC(=O)c2cccn(Cc3ccccc3)c2=O)cc1 169919515 MORVVOOPAPOEQK-MIXAMLLLSA-N 451.526 4.548 50 10 JJGE COc1cc(/C=N\NC(=O)c2nc(-c3ccccc3)sc2C)cc([N+](=O)[O-])c1OC(C)C 169927198 WVKOXZDAAWGQBB-FMCGGJTJSA-N 454.508 4.586 50 10 JJGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCCC)c(OC)c2)c(OC)c1 206503031 RJFYZBPZZDRYEQ-QZYWLCDYSA-N 478.545 4.545 50 10 JJGE CC(C)[C@@H](CI)NC(=O)c1ccc(Br)c(C(F)(F)F)c1 232696860 OKVOAMPIWWFJAT-LLVKDONJSA-N 464.063 4.657 50 10 JJGE COc1ccc(CC(=O)Nc2ccc(C(C)=NNC(=O)Cc3ccc(Br)cc3)cc2)cc1 252623512 OTEOTLJBAUGFKX-UHFFFAOYSA-N 494.389 4.722 50 10 JJGE COc1ccc(OC)c(C=NNC(=O)c2cc(-c3ccc(OCc4ccc(C)cc4)cc3)n[nH]2)c1 254393869 VXKJQOURHUTXLC-UHFFFAOYSA-N 470.529 4.745 50 10 JJGE CC(=NNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)c1ccc2c(c1)CCCC2 254516812 BMPBGXIGDBBNQS-JMYVCOHFSA-N 481.552 4.605 50 10 JJGE COc1ccc(/C=C\C(=O)OCc2csc(N(N=Cc3ccc(C)cc3)C(C)=O)n2)cc1OC 254752985 DAAMQQFLXPAWLE-HZCVNQLUSA-N 479.558 4.612 50 10 JJGE CN(C)c1cccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1 382701693 CWAJLRCIBNGFLI-QUCCMNQESA-N 464.347 4.540 50 10 JJGE CN(c1ncc(C(F)(F)F)cc1I)[C@@H](CBr)C(C)(C)C 686115649 VVNGOYYRGURHHP-JTQLQIEISA-N 465.095 4.951 50 10 JJGE CCn1cc([C@H](Br)c2cc(Br)ccc2OC)nc1Br 698372657 QRRGDEPTHZNRHS-GFCCVEGCSA-N 452.972 4.921 50 10 JJGE O=[N+]([O-])c1cc(Br)c(OC[C@@H](CBr)C2CC2)c(Br)c1 701852589 AMWBLIRNOWHSOZ-MRVPVSSYSA-N 457.944 4.920 50 10 JJGE N#C/C(=C\c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)C(=O)NCCc1c[nH]c2ccccc12 1083905465 WLKIGDFVWMBHPF-HYARGMPZSA-N 466.497 4.921 50 10 JJGE Cc1ccccc1C(=O)NCC(=NNC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc(F)c1 1088698502 GPGXMACEOZHGLT-UHFFFAOYSA-N 488.441 4.989 50 10 JJGE C=CCO[C@@H]1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C1 1536716173 ZPARTXAYXJXHFS-DUBROFONSA-N 454.368 4.567 50 10 JJGE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1 1639384071 MQAOZNFSCOIJIF-LJQANCHMSA-N 458.946 4.542 50 10 JJGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccnc2)CCC3)cc1 1772745879 MPQIRHDDGKMPSN-UHFFFAOYSA-N 460.534 4.885 50 10 JJGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccncc2)C(C#N)=C(N)O3)cc1 1865701978 JRJOUVSXHNTOID-DEOSSOPVSA-N 463.541 4.837 50 10 JJGE Cc1nnc([C@H](CC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c2ccccc2)o1 1867025840 ADKWCEVIPSBXMM-NOZRDPDXSA-N 497.580 4.969 50 10 JJGE Cc1cc(C(=O)N[C@@H](CCBr)COCc2ccccc2)c(Br)s1 1902793884 DTULBFQCBAIKOO-AWEZNQCLSA-N 461.219 4.919 50 10 JJGE CC[C@@H](CCBr)NCc1ccc(I)c(Br)c1 1904337125 COODVIZAQXOOKI-JTQLQIEISA-N 460.979 4.707 50 10 JJGE O=C(NCC[C@H]1CCC[C@@H]1Br)c1cc(Br)cc(Br)c1 1913719940 AIGRPLGHZJHDRD-RNCFNFMXSA-N 454.000 4.895 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CC[C@]2(CCC[C@@H]2Cl)C1 1918919042 APSRJTMBFOHDDC-DZGCQCFKSA-N 468.560 4.677 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2CC[C@H](C1)C2Br 2048827228 QDBGDALWGDAEEA-UZRSXYIYSA-N 458.013 4.519 50 10 JJGE CCc1nn(C)c(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)c1Br 2072299745 BESZHXJBBIVRTA-MRXNPFEDSA-N 469.221 4.561 50 10 JJGE Brc1cc([C@@H](Br)c2cc3c(cc2Br)OCCO3)ns1 2120040253 QCMKCKRESFPCDW-LBPRGKRZSA-N 469.980 4.924 50 10 JJGE Cc1ncncc1COc1c(Br)cc(CBr)cc1Br 2122283608 RZFROAZDIFPWDW-UHFFFAOYSA-N 450.956 4.784 50 10 JJGE CC(C)(C)OC(=O)NCC[S@](=O)(=NC[C@H](CBr)C1CCC1)c1ccccc1 2163652072 QCCXPNGDQNATKQ-CBZJRKILSA-N 459.450 4.849 50 10 JJGE COCCn1ncc(Br)c1C[C@@H](Br)c1ccccc1Br 2169747706 IZKYCJDNWSRNQA-GFCCVEGCSA-N 466.999 4.733 50 10 JJGE C[C@@H]1C[C@@H](CBr)CCN1c1ncc(C(F)(F)F)cc1I 2172486430 RTGCNZBNYBYDQG-BDAKNGLRSA-N 463.079 4.705 50 10 JJGE Cc1cc(S(=O)(=O)N(C)[C@H]2CC(C)(C)[C@@H]2OCc2ccccc2)sc1CBr 2179825366 GJAFBNHYQMJPFN-QFBILLFUSA-N 472.470 4.956 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@@H](Br)CCC12CC2 2220269535 JVKXAWQFWRICIO-ZETCQYMHSA-N 458.013 4.805 50 10 JJGE Brc1cnc(N2CC[C@H]3[C@H](CCC[C@H]3Br)C2)c(Br)c1 2225463346 ZFAKJBMIDNCMEC-ADEWGFFLSA-N 453.016 4.997 50 10 JJGE Cc1ccc(C(=O)N(CCBr)Cc2cccs2)cc1I 2232830378 LQMYMNKKNIYPAN-UHFFFAOYSA-N 464.166 4.698 50 10 JJGE COc1cc(NC(=O)OCc2ccccc2)c(C(=O)O)cc1OC[C@H]1C[C@H](Br)C1 2268340244 LELVZJMEPSQTFH-SHTZXODSSA-N 464.312 4.694 50 10 JJGE COC(=O)c1ccc(COc2ccccc2C=C(C#N)C(=O)NCc2ccc(Cl)cc2)cc1 2297388085 VMFPGHQFYDZRBF-UHFFFAOYSA-N 460.917 4.929 50 10 JJGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2cccc3ccccc23)cc1 2313739325 ZNFKPPVLHQFCIE-UHFFFAOYSA-N 461.587 4.614 50 10 JJGE BrC[C@]12CCC[C@H](CN(c3ncc(Br)cc3Br)C1)C2 2332621990 IOEBRDGQOCWGFJ-IINYFYTJSA-N 453.016 4.998 50 10 JJGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2[C@@H]3CCO[C@@H]32)c1Br 2339655899 IKGKFMDZBOUXAA-IRDCDUOOSA-N 454.984 5.000 50 10 JJGE CCn1nc(Br)c(C[C@@H](CBr)c2ccccc2Br)n1 2351800494 CSMXDJCOMNCSSC-VIFPVBQESA-N 451.988 4.544 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2365595182 HLPUVMQBOXZZGE-CHIMOYNISA-N 468.560 4.723 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CC[C@@H]2C[C@H](Br)CC[C@H]21 2365597377 GCBXAAPNLFOVJX-GPCCPHFNSA-N 468.560 4.723 50 10 JJGE ClC[C@H](Cc1ccccc1)NCc1ccc(I)c(Br)c1 2377317716 QHQYNTQKQXUMTH-AWEZNQCLSA-N 464.572 4.993 50 10 JJGE CCCCCc1ccc(OCC(=O)N/N=C/c2ccc(I)cc2)cc1 3169109 BMAGPYJHQZHFIC-HYARGMPZSA-N 450.320 4.553 50 10 JJGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCc3ccccc3)c(Oc3ccc(Cl)cc3)nc12 33785217 YWPRXBINYHPDAP-RGEXLXHISA-N 470.916 4.672 50 10 JJGE CC(C)(CCl)C(=O)Nc1ccc(N2CCCC2)c(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c1 34919406 NBBZJUNHJKNYJY-OAQYLSRUSA-N 490.069 4.846 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 38608398 OXSOKYSYPRNMME-FYJGNVAPSA-N 453.454 4.956 50 10 JJGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)c(C)c3)ccc21 38650050 ANPUTLIBPNMPFJ-VWLOTQADSA-N 476.916 4.860 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OCC)cc1 38650483 LQKUGIICNALIOG-RUZDIDTESA-N 456.498 4.921 50 10 JJGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)cc(OC)c1OC 38651181 XUGSONKAKVFKEK-HSZRJFAPSA-N 492.915 4.803 50 10 JJGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)c1 38684905 QEXMCWDINBCYRV-VWLOTQADSA-N 476.916 4.941 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)c(C)c1 40814548 MFNLXOJJKNQWJN-SGWCAAJKSA-N 474.517 4.765 50 10 JJGE CCOc1cc(/C=N/NC(=O)COc2ccccc2-c2ccccc2)cc(Br)c1O 40911889 AXKCRSQNOLAWHO-AFUMVMLFSA-N 469.335 4.750 50 10 JJGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1 214285330 GCHIJQDPILZTKX-JLPGSUDCSA-N 498.608 4.890 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CCCC[C@H]1CCBr 232348047 PLRFGJCYDZNNMS-NSHDSACASA-N 456.549 4.724 50 10 JJGE O=c1[nH]c2ccc([C@@H](Br)c3cc(Br)cc(Br)c3)cc2[nH]1 232454371 PKPLFTHGGUZLSA-CYBMUJFWSA-N 460.951 4.866 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1[C@H]2CC[C@H]1CC(CBr)C2 719300019 NKXOXYFYVVBCON-RYUDHWBXSA-N 468.560 4.723 50 10 JJGE CC(=NNC(=O)c1ccc(CSc2nncn2C)cc1)c1cc2cc(Br)ccc2o1 916292591 GVPAJQVNASUREV-UHFFFAOYSA-N 484.379 4.770 50 10 JJGE COc1ccccc1OCC(=O)NN=Cc1c(Br)c(C)n(-c2ccc(C)cc2)c1C 1083944779 APJLYVBLJUXMOT-UHFFFAOYSA-N 470.367 4.703 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(Br)cc1 1084370529 ZRTUKCJPSBUMIF-UHFFFAOYSA-N 473.758 4.599 50 10 JJGE C=CCn1c(SCC(=O)NNc2ccccc2F)nnc1-c1ccc(Cl)cc1Cl 1151564456 IAYXMKIWVPRQJH-UHFFFAOYSA-N 452.342 4.812 50 10 JJGE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1cc(Cl)ccc1Br 1637803890 ZPCILPQPZRHHST-ZDUSSCGKSA-N 453.164 4.582 50 10 JJGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747234 KXQHWENPAPQBME-UHFFFAOYSA-N 497.511 4.696 50 10 JJGE O=C(COc1ccc(Br)cc1Br)NN=Cc1c(F)cccc1Cl 1772753010 HPICQMNSLXUFFM-UHFFFAOYSA-N 464.516 4.533 50 10 JJGE CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1 1865683387 KPFIGGBTLNLLBN-SFHVURJKSA-N 473.886 4.888 50 10 JJGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cn(C)c3ccccc13)C(C#N)=C(N)O2 1865698782 CMADYRIBRSYNFX-NRFANRHFSA-N 460.335 4.653 50 10 JJGE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705078 LOJRYLQAHJEAFA-DEOSSOPVSA-N 462.509 4.872 50 10 JJGE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 1865705115 MQQORCRHJIRAGE-SANMLTNESA-N 476.536 4.986 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865708398 WCSIZMPZHAUIKP-DEOSSOPVSA-N 464.525 4.839 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865715239 ZWVZPSRBJLHSKJ-OAQYLSRUSA-N 498.942 4.617 50 10 JJGE COc1cccc(-c2ccc(C(=O)NNC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c(C)n2)c1 1865758631 KDGZHWWFFGVWCP-AWEZNQCLSA-N 474.344 4.601 50 10 JJGE COc1cc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1c(Cl)cccc1Cl 1873794491 LNUXSYBCDNULDC-IETDBYTCSA-N 496.391 4.944 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CC[C@@]2(CCC[C@@H]2Cl)C1 1918919678 CQMGFEAMXTYRRT-ZFWWWQNUSA-N 468.560 4.677 50 10 JJGE Oc1cc(-n2nc(CBr)c(Br)c2C(F)(F)F)nc(C(F)(F)F)c1 2078909151 HFDCPBNRKKJDIK-UHFFFAOYSA-N 468.977 4.668 50 10 JJGE Fc1cc(F)c(-n2nc(CBr)c(I)c2C(F)(F)F)c(F)c1 2079257986 FZNVOMIBKWQBSK-UHFFFAOYSA-N 484.963 4.808 50 10 JJGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1cc(CCl)ccc1Br 2096853854 UNWQPBZAHRJGTF-UHFFFAOYSA-N 460.821 4.805 50 10 JJGE CC[C@@H](Br)CN(C(=O)c1cc(Cl)ccc1I)C1CC1 2107406234 HGURABGMYBYSMV-SECBINFHSA-N 456.549 4.723 50 10 JJGE Fc1cccc(-n2c(CCl)nc3cncc(Br)c32)c1I 2151791660 YDDBILGMHZKHEQ-UHFFFAOYSA-N 466.479 4.666 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@@H]2CCC[C@@]2(CBr)C1 2159405109 NLIFMGFBGLJPFE-ZUZCIYMTSA-N 466.011 4.849 50 10 JJGE O=S(=O)(NC[C@@H]1CCCC[C@@H](Br)C1)c1cc(Cl)c(Br)s1 2163743925 SIEREFNAFHKSTR-RKDXNWHRSA-N 465.660 4.786 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@@H](Br)C2(CCCC2)C1 2174382439 UGVHDJLYWQOSRM-GFCCVEGCSA-N 466.011 4.991 50 10 JJGE C[C@@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)[C@H](C)C[C@@H]1Br 2295309743 NEKVBIRKSKAPBV-RULNRJAQSA-N 468.027 4.775 50 10 JJGE COC[C@]12C[C@]([C@H](Br)Cc3cc(Br)cc(Br)c3)(CO1)C2 2295331142 FNYVWZZZZAEUMC-RBSFLKMASA-N 469.011 4.713 50 10 JJGE COc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C)cc3C)nc3ccccn3c2=O)c1 2314533283 PXBXKDSPMLHAKR-UHFFFAOYSA-N 466.497 4.658 50 10 JJGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1cccc(Br)c1Br 2330904171 WDJAKVHOIUDLHS-RJVLYZLMSA-N 451.984 4.503 50 10 JJGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)CCN2C(=O)c3ccccc3C2=O)n1 2331410857 LNFBJXZXCPQPJL-UHFFFAOYSA-N 465.918 4.951 50 10 JJGE C[C@H](O[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1I)c1cccc(OC2CC2)c1 2342606246 CVNBSQSOPQPKOX-KKXDTOCCSA-N 473.351 4.728 50 10 JJGE F[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1cc(I)ccc1Cl 2352432300 RASHSOOQJQJTPX-ZMJPVWNMSA-N 458.540 4.783 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8453584 MAIJHNXXYNUJMW-XSFVSMFZSA-N 489.507 4.524 50 10 JJGE aggregator C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)cc1C 38602871 SWAQJGXPDHDHPN-HZHRSRAPSA-N 464.525 4.635 50 10 JJGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccs1 38656562 UNDRGMUHURLNSB-JOCHJYFZSA-N 452.919 4.913 50 10 JJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)c1 38659891 KQQCQOQRBLDCTD-MHZLTWQESA-N 486.524 4.523 50 10 JJGE O=C(NNc1ncnc(Nc2cc(F)ccc2F)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40659370 ZASILQNHASEIFD-UHFFFAOYSA-N 476.443 4.682 50 10 JJGE Cc1c(C(=O)N2CCCCCC2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811782 NJZRPOQRIFRJGS-XIEYBQDHSA-N 472.383 4.837 50 10 JJGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825888 CWNCALNMOROSOP-ZTKZIYFRSA-N 483.484 4.767 50 10 JJGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N5CCCCC5)c(C)c43)coc2c1 40826926 ODMDRWOEWDPJHS-VFCFBJKWSA-N 461.562 4.976 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc(Br)c2)c(OC)c1 40969312 ASSFHBVETNFUCR-GZTJUZNOSA-N 457.324 4.500 50 10 JJGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(Br)cc2)cc1 58887715 JAKSGBSUQMCDEA-DGMIEQENSA-N 467.363 4.992 50 10 JJGE C[C@@H](Sc1nccn1-c1ccc(Br)cc1)C(=O)C(C#N)=C1Nc2ccccc2N1 105027657 NRSAJINDKQJZDV-CYBMUJFWSA-N 466.364 4.957 50 10 JJGE Cn1ccnc1CCC(CBr)(CBr)c1ccc(Br)cc1 124565024 NZWJGLKLYIHQLW-UHFFFAOYSA-N 465.027 4.843 50 10 JJGE C[C@H]1CCC[C@@](CCl)(NC(=O)c2cc(I)ccc2Br)C1 235628412 SGGVRKWYJHCTJR-ZUZCIYMTSA-N 470.576 4.971 50 10 JJGE O=C(c1ccc(Br)cc1Br)N(CCBr)CC(F)(F)F 236124636 GYOMFVRQIWLTRV-UHFFFAOYSA-N 467.905 4.611 50 10 JJGE CCOc1cccc(C=NNC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)c1O 254402375 BBUXEHYMTVILHL-UHFFFAOYSA-N 456.502 4.524 50 10 JJGE CNC(=O)c1ccc(CN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C2CC2)cc1 912769166 CRSRODBPSGEYKM-HAHDFKILSA-N 470.548 4.691 50 10 JJGE C#C[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(Cl)c2Cl)c1C)C1CCOCC1 1461708038 AVPUPMNKWBJUBG-FNGUVFISSA-N 456.373 4.853 50 10 JJGE C#C[C@@H](NC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 1564997747 OPTVDLBZCBYYDF-QGZVFWFLSA-N 454.741 4.511 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1865680591 PJKZDTVTWQGKEA-OAQYLSRUSA-N 456.889 4.822 50 10 JJGE CC[C@@H](NC(=O)Cc1ccc2nc(O)c(C(C)C)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1867068139 RAJJFCVUHLNNFD-OAQYLSRUSA-N 462.575 4.713 50 10 JJGE CCOc1cc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1cccc(Cl)c1 1873793178 ANGRUFGARFSSAO-HEOQCTJZSA-N 475.973 4.681 50 10 JJGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@H]1C[C@H]1Br 1893149063 ZCECJQJKFICQIQ-ZGNKEGEESA-N 485.422 4.792 50 10 JJGE CC[C@H](CBr)COCc1ccc(I)c(Br)c1 1904372458 QTPKINJDQKDGQK-SECBINFHSA-N 461.963 4.991 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@H](CBr)C2CCC2)CC[C@H]1C(F)(F)F 1966469318 CPCRHBZJVQROSN-ARFHVFGLSA-N 457.375 4.823 50 10 JJGE O=C(Nc1nc(CCl)cs1)c1ccc(Br)cc1I 2086149700 QYVYKJAXSNGBBU-UHFFFAOYSA-N 457.518 4.501 50 10 JJGE CN([C@@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Cl 2123200292 GDDSZKXEHIMDBE-MSOLQXFVSA-N 458.805 4.603 50 10 JJGE CC1(C)C[C@@H](Br)CN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2154838274 YWDKFUBYRXZXQR-MRVPVSSYSA-N 466.022 4.692 50 10 JJGE C[C@H]1C[C@@H](CBr)CN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2156539162 NNTBUISXLGXFMC-YUMQZZPRSA-N 466.022 4.550 50 10 JJGE C[C@H]1CN(C(=O)c2ccc(I)c(Cl)c2)CC[C@@H]1CCBr 2172471012 BPXRYULXRBMAGG-QWRGUYRKSA-N 470.576 4.828 50 10 JJGE C[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(CBr)c2Cl)CCN1Cc1ccccc1 2179863147 HXFFSUUCIZBWQG-AWEZNQCLSA-N 492.266 4.783 50 10 JJGE O=C(c1c(Br)cccc1Br)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2184573463 FWQIUGQXNXELRH-JGPRNRPPSA-N 466.011 4.990 50 10 JJGE CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)C2[C@H](CBr)NC(=O)OC(C)(C)C 2241741494 NPRAUBNZTJGGLM-YKDOHLLJSA-N 461.441 4.994 50 10 JJGE Fc1cc(Br)ccc1CO[C@H](CCl)[C@H](I)CCl 2247632704 VFNWAQGWRXLKGU-GHMZBOCLSA-N 455.920 4.755 50 10 JJGE C[C@]1(CBr)C=CCCN1C(=O)c1cc(Br)sc1Br 2253438917 KCYRHHTWBCRKBX-GFCCVEGCSA-N 458.013 4.829 50 10 JJGE CC1CC(CBr)(CN=[S@](=O)(C(C)C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 2265305195 ZEDGRNORXGQCIV-VGZOSLNCSA-N 451.471 4.683 50 10 JJGE CC(C)[C@H](Br)CN(C)C(=O)Cc1cc(Br)cc(Br)c1 2277926844 NHZJQUUJAWKQLY-CYBMUJFWSA-N 456.016 4.632 50 10 JJGE C[C@]1(CBr)CCCN1Cc1ccc(I)c(Br)c1 2306221600 KCKCTLJVVICDBO-CYBMUJFWSA-N 472.990 4.803 50 10 JJGE CCN(C)C[C@H](Br)CCc1ccc(I)c(Br)c1 2306223928 LAIKXKWALAJKIK-LLVKDONJSA-N 475.006 4.702 50 10 JJGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)NC)cc1 2314592938 DTHRKBLRQJWYPD-IBGZPJMESA-N 476.385 4.564 50 10 JJGE COC(=O)c1ccccc1NC(=O)C(C#N)=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2325196010 RDNVHEXXSDEUHA-UHFFFAOYSA-N 457.330 4.969 50 10 JJGE N#CC(=Cc1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccccc1)S(=O)(=O)c1ccccc1 2329647157 RISBTAYIQGRIDE-QHCPKHFHSA-N 450.947 4.578 50 10 JJGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1ccc2c(c1)CCCO2 2364063268 HPCALKGKTCLUNP-NSHDSACASA-N 464.983 4.754 50 10 JJGE COCCc1ccc([C@H](Br)c2c(Br)c(Br)nn2C)cc1 2364228851 RRSYLPQIBQEKEZ-NSHDSACASA-N 466.999 4.618 50 10 JJGE CC(C)CO[C@@H]1[C@H](Cl)C[C@H]1OCc1ccc(I)c(Br)c1 2377595358 OOUOHBLJIQDEGD-BPLDGKMQSA-N 473.576 4.991 50 10 JJGE C=CCN1C(c2ccccc2)=CS/C1=C(/C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 3190416 WFPSOLYANZNWNI-LVWGJNHUSA-N 468.586 4.529 50 10 JJGE O=C(c1ccc([N+](=O)[O-])s1)N(/N=C/c1ccc([N+](=O)[O-])o1)c1nc2ccc(F)cc2s1 9149100 HURXCMAQAUQABB-UFWORHAWSA-N 461.412 4.587 50 10 JJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cccc(OCCc2ccccc2)c1 10331322 BCGLQPMQGMEGQN-MRXNPFEDSA-N 473.356 4.843 50 10 JJGE COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2cccc(C)c2C)nc2c(C)cccn2c1=O 39858811 PCYGLOOTIDQPTL-HKWRFOASSA-N 480.524 4.966 50 10 JJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2cc(Br)ccc2OC)c(OC)c1 40948824 TZYGUOOWVQIVAX-ANKJDYFYSA-N 486.318 4.555 50 10 JJGE C[C@H](SCc1ccccc1)C(=O)N/N=C/c1cc(Br)cc(Br)c1O 59147504 RXWWELOSZCMJSU-QQZXWGPFSA-N 472.202 4.689 50 10 JJGE Cc1ccc(Cl)c2c1NC(=O)/C2=N\NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 59148434 OATQYPOOBYBGED-UHFFFAOYSA-N 461.949 4.826 50 10 JJGE Cc1cc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)no1 100921639 PUXPATJKRGUFNO-QCZZGDTMSA-N 485.014 4.607 50 10 JJGE O=C(O)c1c(C(Br)Br)cccc1C(Br)Br 148683037 YWJSWDOPPLQYFZ-UHFFFAOYSA-N 465.761 4.962 50 10 JJGE Nc1nnc(SCCCC(=O)NN=C(CCc2ccccc2)CCc2ccccc2)s1 253573239 REQMHQJAJUZHJQ-UHFFFAOYSA-N 453.637 4.730 50 10 JJGE COc1cccc(C(C)=NNC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)c1 254555519 WRGREMMUXBYBKE-UHFFFAOYSA-N 458.634 4.780 50 10 JJGE Cc1ccccc1NCC(=O)NN=Cc1cccc(OC(=O)c2ccccc2Br)c1 254633044 ZXIJOZGNDZXSJA-UHFFFAOYSA-N 466.335 4.539 50 10 JJGE O=C(CBr)c1c(I)cc(Br)cc1C(F)(F)F 575691349 IDJSPNMAZCTITI-UHFFFAOYSA-N 471.836 4.650 50 10 JJGE Cc1occc1-c1cc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)n(CCO)n1 727316347 GDINVMBJXQYABI-MOSHPQCFSA-N 473.508 4.536 50 10 JJGE COc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Br)cc1 1084268810 ZYLCFSNGRRCPQZ-UHFFFAOYSA-N 484.306 4.709 50 10 JJGE O=C(CNc1ccc2c(c1)OCO2)NN=Cc1cn(Cc2ccccc2Cl)c2ccccc12 1084598584 REUILGRQGOVYIY-UHFFFAOYSA-N 460.921 4.634 50 10 JJGE CCOc1cc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)ccc1O 1614703425 GIBBVIAIQXRSLK-ROUUACIJSA-N 481.330 4.578 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc(Br)c1O 1865689298 OXMKDBZDMQOPDT-GOSISDBHSA-N 487.741 4.529 50 10 JJGE CCc1cccc(CC)c1N1C[C@@H](C(=O)NNC(=O)c2ccc(-c3ccc(C)c(C)c3)nc2C)CC1=O 1865756322 RTAWTENDYBMDPG-DEOSSOPVSA-N 498.627 4.613 50 10 JJGE CCC[C@H](NC(=O)c1cccc(N(CCC)CCC)n1)C(=O)Nc1ccc(SC#N)cc1 1866601934 CRSXXPZXWOJGCC-FQEVSTJZSA-N 453.612 4.818 50 10 JJGE Cc1oc(-c2ccc(Cl)cc2)nc1CC(=O)NC(C)(C)C(=O)Nc1ccc(SC#N)cc1 1866666907 HFHIKSZZTBHXJC-UHFFFAOYSA-N 468.966 4.953 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@H](Cl)Cc1c(Br)cccc1Br 1884183716 CNFIGOSMUSBHFT-SNVBAGLBSA-N 457.549 4.658 50 10 JJGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)C[C@H](C)Br)sc1Br 1914631766 ATIGNRKEWBLMLM-LBPRGKRZSA-N 467.248 4.793 50 10 JJGE O=C(N[C@H]1CC[C@@H](CBr)CC1)c1cc(Br)c(Br)s1 2054698870 ORYCCEKUFQGGMW-OCAPTIKFSA-N 460.029 4.957 50 10 JJGE CC[C@@H](C)[C@@H](CBr)NC(=O)c1cc(I)ccc1Br 2081238747 JFCLACMXWGDMMQ-PRHODGIISA-N 488.989 4.593 50 10 JJGE C[C@@H]1C[C@@H](CBr)CN(C(=O)c2cccc(Br)c2Br)C1 2092329778 AAWQEMFTFVHWST-ZJUUUORDSA-N 454.000 4.705 50 10 JJGE C[C@H](NC(=O)c1ccc(I)c(Br)c1)[C@@H]1CCC[C@H]1Cl 2111546658 MHIRIECHVZFSDO-PTOFAABTSA-N 456.549 4.580 50 10 JJGE CN([C@@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1csc(CBr)c1 2123237917 RVQISYISVHRYRT-MSOLQXFVSA-N 458.443 4.647 50 10 JJGE CC(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1cc(Br)cc(Br)c1 2126103339 WMUCFXRYDNRHQO-QWHCGFSZSA-N 454.000 4.846 50 10 JJGE ClCCc1nc2cc(I)ccc2n1[C@H]1CCOC[C@@H]1OCc1ccccc1 2146523972 QPIWIXKLUVBFLV-PMACEKPBSA-N 496.776 4.969 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CC2(CC[C@@H]1CCl)CC2 2154168119 QCEDWIQELHNILD-LLVKDONJSA-N 468.560 4.677 50 10 JJGE FC1(F)[C@@H]2CC[C@H]([C@@H](Br)c3cc(I)cc4c3OCC4)[C@@H]21 2158333466 ONLFPLBEHFCXRU-ZBAXXZLZSA-N 455.080 4.953 50 10 JJGE C[C@@H](Br)CCCc1cn(-c2ccc(Br)cc2I)nn1 2231447991 LXZSWNACCBQQAM-SECBINFHSA-N 498.988 4.741 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1[C@H]2CC[C@H](C2)[C@@H]1CBr 2310099149 KMBHPGNSZZQFJW-FJXKBIBVSA-N 458.013 4.661 50 10 JJGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2c(Oc3ccccc3)nc3c(C)cccn3c2=O)c1 2314531738 DPYOOWLVXRITMW-UHFFFAOYSA-N 450.498 4.958 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@H](C)Oc2cccc(Br)c2)cc1 2314785803 OGCRCKMQJZCISE-INIZCTEOSA-N 471.351 4.645 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN=Cc1cccc(OCc2ccccc2Cl)c1 2328799194 YNJAIJHFLRUOSL-NRFANRHFSA-N 457.958 4.769 50 10 JJGE C=CC[C@H](Br)[C@@H]1CCN1C(=O)Cc1cc(Br)cc(Br)c1 2360964605 QLYRWJGJKKSREQ-KBPBESRZSA-N 466.011 4.695 50 10 JJGE CC1(C)CC[C@@H](CBr)N(C(=O)c2ccc(Cl)cc2I)C1 2365589454 VQVCBCZOKQJPDE-NSHDSACASA-N 470.576 4.970 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1C[C@@H]2CC[C@H](Br)C[C@H]2C1 2365589776 ZGENOJKKZDNOPH-DCAQKATOSA-N 468.560 4.580 50 10 JJGE ClCC(CCl)(Cc1ncc(I)cn1)c1cccc(Br)c1 2381293586 PMTKYDPUCVHYAJ-UHFFFAOYSA-N 485.978 4.802 50 10 JJGE Cc1ccc(-n2c(SCC(=O)N/N=C/c3c(F)cccc3Cl)nnc2-c2ccncc2)cc1 1474392 RLRFXZHTYJRZKG-UVHMKAGCSA-N 480.956 4.673 50 10 JJGE CCOc1ccc(N/C(SCc2cccc([N+](=O)[O-])c2)=C(/C#N)C(=O)NCc2ccco2)cc1 3058819 NUKBQDZPFQOTFF-ZNTNEXAZSA-N 478.530 4.983 50 10 JJGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 14643083 YPGSXQLTUOINSC-SFHVURJKSA-N 481.390 4.813 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2)c(C(C)(C)C)c1 14661714 VKYHFPWPINHELD-UHFFFAOYSA-N 491.426 4.649 50 10 JJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)cc2)c1 14665785 OYSAUZCDZIWSCC-IBGZPJMESA-N 473.573 4.773 50 10 JJGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)OC)cc2OC)cc1OC 33378109 HXFVIKIMEASKOQ-YJXVQIIVSA-N 479.529 4.972 50 10 JJGE O=C(NC1CCCCC1)[C@H](c1cccnc1)N(C(=O)CCl)c1ccc(Br)cc1F 34847290 XJPWMWKTOYSVLO-FQEVSTJZSA-N 482.781 4.745 50 10 JJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1 38650650 XKORAKIRUQBYPX-DEOSSOPVSA-N 471.469 4.821 50 10 JJGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)c(Oc3ccccc3)nc12 39858497 OYOXFQYDVPNYOB-LGMDPLHJSA-N 456.889 4.994 50 10 JJGE O=C(NNc1ncnc(Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-])c1cccc(Cl)c1 40588837 AZMJHZRBDKDMJG-UHFFFAOYSA-N 452.780 4.558 50 10 JJGE CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OC(C)C 40947772 URFXTNKROXBALR-YDZHTSKRSA-N 456.593 4.633 50 10 JJGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)cc1Br 58886910 XABFIXHTAODZPV-JPJGIZCJSA-N 492.373 4.864 50 10 JJGE COc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(OCCN2CCCCC2)c(OC)c1 96437278 VGVQULLAPYPRAT-RGEXLXHISA-N 469.969 4.768 50 10 JJGE O=S(=O)(N[C@H]1CCCCC[C@H]1Br)c1cc(Br)ccc1Br 136210054 DHZNNUWVRWSPPV-PWSUYJOCSA-N 490.055 4.586 50 10 JJGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)C1=O 214217789 YHCARFOBRDLTCA-BEXDPUPVSA-N 478.552 4.865 50 10 JJGE COc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 254442989 IQUYNOYHVRKOES-UHFFFAOYSA-N 454.482 4.597 50 10 JJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2sccc2C)c2cccc(C(F)(F)F)c2)cc1 254906986 VMUXFUFDHDCMTQ-UHFFFAOYSA-N 495.548 4.729 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2cc(Cl)ccc2[N+](=O)[O-])C1 1614616481 PJIKKRIFIHNCJY-ZWNOBZJWSA-N 466.703 4.634 50 10 JJGE Cc1c(C(=O)NCc2ccccn2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772748038 NEOXZTUOTSZCHB-UHFFFAOYSA-N 452.514 4.537 50 10 JJGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(C)cc1 1865693133 LWOSWXLIXPBBEK-SFHVURJKSA-N 470.451 4.825 50 10 JJGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccccn2)C(C#N)=C(N)O3)cc1 1865700478 VEJWTHPIDXRLBO-NRFANRHFSA-N 455.905 4.814 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)ccc1O 1865706241 RBDSONLQJBFISL-QGZVFWFLSA-N 494.832 4.675 50 10 JJGE CCOc1cc(C(=O)NNC(=O)c2ccc(-c3ccc(C)c(C)c3)nc2C)cc(OCC)c1OCC 1865756405 XHPLAKKBWZUKIQ-UHFFFAOYSA-N 491.588 4.945 50 10 JJGE CN(C)c1ccc([C@@H](CNC(=O)/C(C#N)=C/c2ccc(Br)cc2)N2CCCCC2)cc1 1866128629 CHGUYWONEQSDIU-MWKGPOOMSA-N 481.438 4.765 50 10 JJGE COc1cc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OCCN1CCOCC1 1872784332 LCSOCHCAYFXMQE-XSFVSMFZSA-N 492.557 4.502 50 10 JJGE CCOc1cc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OCc1ccc(C)cc1 1873792840 PAIQKPMVQHGWRB-BATDETSNSA-N 483.609 4.972 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@H](Br)Cc1cccc(OCc2ccccc2)c1 1886870957 HYTIIQCEFQCSDM-LJQANCHMSA-N 450.332 4.868 50 10 JJGE BrC[C@@]1(Cc2ccc(I)c(Br)c2)CCCO1 1904344774 YOOIZVXNSCOIMB-LBPRGKRZSA-N 459.947 4.540 50 10 JJGE O=C(c1cc(I)sn1)N(Cc1ccccc1)C1(CBr)CCC1 1909914768 LBRCRZINOSXKAX-UHFFFAOYSA-N 491.192 4.708 50 10 JJGE CCOC(=O)[C@@H](Cl)Cc1cc(Br)c(I)c(Br)c1 1946434885 PAWOEIKCSOCDBA-VIFPVBQESA-N 496.364 4.529 50 10 JJGE CCOC(=O)NC(=O)C(C#N)=CNc1ccc(Oc2ccc(C(F)(F)F)cn2)c(Cl)c1 2040739568 VRZWNDBJIMQNSF-UHFFFAOYSA-N 454.792 4.638 50 10 JJGE O=C(N[C@H](CCl)C1CCCCC1)c1ccc(Br)cc1I 2207267356 LBSXRAJCCVMRQH-CQSZACIVSA-N 470.576 4.971 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CCC[C@H]1CCCBr 2295309945 PWXLBBZCUVFCDG-CQSZACIVSA-N 468.027 4.920 50 10 JJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)c1 2314634532 FXWXBCANUCMARJ-MHZLTWQESA-N 468.509 4.849 50 10 JJGE CCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 2314737841 YMAJBDXCYSQOEQ-UHFFFAOYSA-N 452.466 4.789 50 10 JJGE Brc1cc(Br)cc(COC2(CI)CCOCC2)c1 2315452964 IFHUMEDCWFUEJU-UHFFFAOYSA-N 489.973 4.712 50 10 JJGE CCOc1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)s1 2316837887 NTTYINDNCKMPRN-MRVPVSSYSA-N 459.001 4.890 50 10 JJGE CC(C)(CBr)[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1I 2365596861 BXSPAGDKDVCAEB-ZDUSSCGKSA-N 470.576 4.970 50 10 JJGE CC(C)CO[C@@H]1[C@@H](Cl)C[C@H]1OCc1cc(I)ccc1Br 2367611461 PIFQXBGNLUVHPC-RRFJBIMHSA-N 473.576 4.991 50 10 JJGE O=C(N/N=C\c1ccccc1[N+](=O)[O-])c1csc(-n2nc(-c3ccccc3)cc2C(F)(F)F)n1 8770075 MHLOGIPHJAFLMR-GATIEOLUSA-N 486.435 4.687 50 10 JJGE CC(C)COc1ccc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1Br 14653077 WHYMBBWXDYJAPS-UHFFFAOYSA-N 497.389 4.991 50 10 JJGE Cc1cccn2c(=O)c(/C=C(/C#N)c3nc4ccccc4n3C)c(Oc3ccccc3F)nc12 33584192 VWKHUMDOEWINPQ-VKAVYKQESA-N 451.461 4.885 50 10 JJGE CCN1CCN(c2c(CN(CC(C)C)C(=O)C(C)(C)CCl)c(C)nn2-c2ccccc2)CC1 34829522 RBZXYIAYQULKCS-UHFFFAOYSA-N 474.093 4.572 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccco1 38657332 ISZGGRXWRDPWFC-NRFANRHFSA-N 457.269 4.789 50 10 JJGE Cc1ccc2cccc(Nc3ncnc(NNC(=O)C(c4ccccc4)c4ccccc4)c3N)c2n1 40758686 BYIABZPMVOUATJ-UHFFFAOYSA-N 475.556 4.934 50 10 JJGE Cc1cccnc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823195 KELAFXMMTVYWBF-KNBZMSCYSA-N 494.367 4.533 50 10 JJGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc3ccccc23)cc1 100154482 RUFPOOSLGKXXCV-UHFFFAOYSA-N 493.629 4.904 50 10 JJGE C[C@H]1CCCN(C(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)C1 100935278 UALGXJUZIFPPRB-KUDNYVPYSA-N 486.086 4.931 50 10 JJGE CCC(CC)N(CCBr)S(=O)(=O)c1cc(Br)ccc1Br 147674448 CYDQXNOYYBTKMK-UHFFFAOYSA-N 492.071 4.786 50 10 JJGE O=S1(=O)CCCC[C@H]1[C@@H](Br)c1cc(Br)ccc1Br 169021537 NPAAVXADTLGDOA-RYUDHWBXSA-N 461.013 4.615 50 10 JJGE O=C(NCCCCCI)c1ccc(Br)cc1Br 232458834 FTNUTCSDMPSGSK-UHFFFAOYSA-N 474.962 4.547 50 10 JJGE O=C(NN=Cc1ccccc1OCc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 252607875 HFYGTMFGEDTQGP-UHFFFAOYSA-N 454.280 4.700 50 10 JJGE COc1ccc(-n2c(SCC(=O)NN=C/C(C)=C/c3ccco3)nnc2-c2ccccc2)cc1 254842741 WDNPTAGYAGKDDY-WOWIJQELSA-N 473.558 4.834 50 10 JJGE Cc1ccc(I)cc1-n1c(CCl)nc2cc(Br)cnc21 381869905 WZFHFCIMAUBTRW-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2cccc(Br)c2O)C1 382694409 WZXNBIYPWAHDRV-ZBFHGGJFSA-N 469.173 4.902 50 10 JJGE Cc1cccc(C(=O)NC[C@@H]2CCC[C@H](CBr)C2)c1I 383666552 SALIAPGUKDLUCL-QWHCGFSZSA-N 450.158 4.531 50 10 JJGE O=C(NCCc1c[nH]c2cc(F)ccc12)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F 747996368 DWPVWDFHOAWKPD-IBGZPJMESA-N 473.879 4.824 50 10 JJGE CC(=O)N1CC[C@@H](NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C)c3)c2C)c2ccccc21 1127176718 KKNQJMKSXLTNSP-CINCIDGWSA-N 452.558 4.924 50 10 JJGE CC(=O)c1c(C)[nH]c(C(=O)NNc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)c1C(C)C 1608604902 LHBDFNGOZDRLHG-UHFFFAOYSA-N 453.564 4.547 50 10 JJGE CCOC(=O)c1cnn(-c2cc(C)c3cccc(OC)c3n2)c1N/C(C=O)=C\c1ccccc1C 1859489780 OIPYRLWGXONCEE-ZHZULCJRSA-N 470.529 4.875 50 10 JJGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696280 DBZGBOVWKJDLCY-DEOSSOPVSA-N 458.562 4.898 50 10 JJGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)CC1=O 1872752421 BIUAMVAOLUOUCP-JRCVOMKHSA-N 493.516 4.590 50 10 JJGE FC(F)c1c(I)cc(CBr)cc1I 2060235488 ITLLWBSKTBXFHN-UHFFFAOYSA-N 472.836 4.728 50 10 JJGE CCn1ncc(Br)c1[C@@H](Br)c1ccc(OC)cc1Br 2094271848 RYAMYVMMMUWBMV-LBPRGKRZSA-N 452.972 4.921 50 10 JJGE O=S(=O)(Cc1cccc(CBr)c1)N(CCC(F)(F)F)Cc1ccccc1 2123199463 SITSPHVUUKWAHP-UHFFFAOYSA-N 450.320 4.866 50 10 JJGE F[C@H](CBr)C1CCN(Cc2ccc(I)c(Cl)c2)CC1 2142943404 LYEYRGXODMOCQV-CYBMUJFWSA-N 460.556 4.890 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@]12CC[S@](=O)(=NCC1(CBr)CCCCC1)C2 2163063924 RTPNMQVIVOTSDH-CCLHPLFOSA-N 463.482 4.973 50 10 JJGE COc1ccc(Br)cc1S(=O)(=O)N(Cc1ccccc1)[C@H](C)CCBr 2220399652 MFZYRVRQUAKSLQ-CQSZACIVSA-N 491.245 4.822 50 10 JJGE CCOCc1cc(Br)c([C@@H](Cl)c2cnn(C)c2I)s1 2224770371 DSWZPTSSAOSVNL-JTQLQIEISA-N 475.577 4.713 50 10 JJGE O=C(N[C@H]1CCCCC[C@H]1Br)c1ccc(Cl)c(I)c1 2268351932 XUCLXHKFFUJPKX-MFKMUULPSA-N 456.549 4.771 50 10 JJGE CS(=O)(=O)C1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1 2272733649 MXFIYVGGKVVCSY-JTQLQIEISA-N 482.966 4.503 50 10 JJGE CCC[C@](C)(CBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277915402 KKSZXSNXIRFHNV-CQSZACIVSA-N 456.016 4.824 50 10 JJGE CCN(CCCCBr)C(=O)Cc1cc(Br)cc(Br)c1 2277930059 WVKPPPUFDRPEAH-UHFFFAOYSA-N 456.016 4.778 50 10 JJGE CN(C(=O)Cc1cc(Br)cc(Br)c1)[C@H]1CCC[C@H]1Br 2277936487 XMBZHLXNFVMURR-OLZOCXBDSA-N 454.000 4.529 50 10 JJGE COc1ccc(-c2csc(C(C#N)=CNc3cc(OC)c(OC)c(OC)c3)n2)cc1OC 2296048069 WOXMPICJZQQKMJ-UHFFFAOYSA-N 453.520 4.830 50 10 JJGE CCOc1ccc(-n2c(C)cc(C=C(C#N)C(=O)OCC(=O)N(C)C3CCCCC3)c2C)cc1 2297486605 ALXWXXWUFQWCED-UHFFFAOYSA-N 463.578 4.734 50 10 JJGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593248 KDVAJMCRKXYRFO-XMMPIXPASA-N 471.582 4.893 50 10 JJGE CC(C)(CI)CN(C1CC1)[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F 2326671477 DPMRHTGRXKSIIX-CYBMUJFWSA-N 478.337 4.758 50 10 JJGE Clc1ccc(CN2C[C@@H]3CC[C@@H](Br)C[C@H]3C2)cc1I 2337224016 UDWQGIPJTJDFLV-RWMBFGLXSA-N 454.577 4.940 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@H]2C[C@H](Br)CC[C@H]21 2354028099 BLTONQWRXOLXBV-OPQQBVKSSA-N 466.011 4.990 50 10 JJGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3ccc(Cl)cc3Cl)cc2)cc1 3213547 SLSGZDVMBVYGRP-UHFFFAOYSA-N 492.384 4.957 50 10 JJGE COc1ccc(/C=N/NC(=O)/C(C#N)=C2\C[C@H](c3ccccc3)c3ccccc32)c(OC)c1OC 15777570 SFPBMJWAFYLOFD-PQYJZRPJSA-N 467.525 4.675 50 10 JJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1 38658163 FROWZVUYNNRLHD-MRDQGFSESA-N 486.499 4.982 50 10 JJGE Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C 46900057 MMKUWUQMKWYNSX-UHFFFAOYSA-N 490.560 4.930 50 10 JJGE C[C@@H](NC(=O)C(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)c1ccccc1 59379205 ZZJPIOZTLPUEAA-CJHIPLPSSA-N 451.526 4.746 50 10 JJGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCCC(C)C)c(OC)c3)C2=O)cc1 101340027 OFFCNDGWZALWHS-OEAKJJBVSA-N 474.557 4.921 50 10 JJGE O=C(O)/C(NC(=O)c1ccccc1)=C(/Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102584398 OQYABNUUDXZGCY-OCEACIFDSA-O 486.915 4.903 50 10 JJGE C[S@](=O)(=N/C=C(/C#N)C(=O)c1cccs1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 104273236 FZYINULLECZLGY-GAVWFOKVSA-N 454.489 4.591 50 10 JJGE O=S(=O)(N[C@@H]1CCC[C@H]1CBr)c1c(Cl)cc(Br)cc1Cl 231618517 FAZRETFWKFVBQZ-WRWORJQWSA-N 466.022 4.598 50 10 JJGE ClCCc1nnc(Nc2c(Br)cc(Br)cc2Br)o1 236028014 JJERUNVNEFNZGE-UHFFFAOYSA-N 460.351 4.882 50 10 JJGE C[C@H](Br)C[C@@H]1CCCCCN1C(=O)c1ccc(I)cc1 312976572 PWWGECOWPWJXLG-WFASDCNBSA-N 450.158 4.850 50 10 JJGE COc1cc(OC)c([C@@H](Br)c2sccc2I)c(OC)c1 380903468 AUEOLPLMWLDPKO-CYBMUJFWSA-N 469.138 4.863 50 10 JJGE CC(C)(C)OC(=O)NCCN1CCN[C@@H](c2ccc(CCO[Si](C)(C)C(C)(C)C)cc2)C1 616653833 LUVCJKACGOFDJI-JOCHJYFZSA-N 463.739 4.722 50 10 JJGE CCc1nn(C)c2c1nc(CCCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705603340 ITHQVIYZZZWDPS-UHFFFAOYSA-N 478.040 4.585 50 10 JJGE Cc1ccc2c(COC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)cc(=O)oc2c1C 761396639 HMQQSEQISSEBLR-BKUYFWCQSA-N 478.508 4.837 50 10 JJGE O=C(CSc1ccccc1)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1083903320 DNOPCBJBRARLMS-UHFFFAOYSA-N 498.377 4.748 50 10 JJGE Cc1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084006765 ICRXLDYHPMGCAL-UHFFFAOYSA-N 474.300 4.561 50 10 JJGE O=C(CSc1ccccc1)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084272506 PAHGFUNAPOWJOM-UHFFFAOYSA-N 494.414 4.651 50 10 JJGE C=CCc1cc(C(=O)NNC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)cc(OC)c1OC 1538725653 XIPSKJUFFREBJH-SFHVURJKSA-N 456.608 4.720 50 10 JJGE Cc1cc([N+](=O)[O-])ccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 1614641301 JJEGNONYEFAUGS-QFBILLFUSA-N 480.302 4.690 50 10 JJGE C=C(Cl)CSc1nc(C)c(CC(=O)NNc2cccc(F)c2Br)s1 1644039056 FXHZNFMLPYUQIH-UHFFFAOYSA-N 450.786 4.884 50 10 JJGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865688822 BWJWMWHQKCILSF-FQEVSTJZSA-N 450.926 4.792 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1cc(Br)ccc1O 1865696700 QGVPTZZOTPRMDY-INIZCTEOSA-N 491.267 4.636 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)ccc1O 1865706441 WTHFXVLRDDZFQK-QHCPKHFHSA-N 468.488 4.670 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)cc1F 1872752409 AWONAHCIJFJXKL-MOSHPQCFSA-N 457.439 4.833 50 10 JJGE N#C/C(=C(/O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc(Cl)s2)cs1 1872758223 QKOLDXSAPZBSAD-OWBHPGMISA-N 472.891 4.522 50 10 JJGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@H]1C[C@H](Br)C1 1877420783 DJZSUTDAJVPNMM-ULQDDVLXSA-N 471.395 4.546 50 10 JJGE O=S1(=O)CC[C@@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 1899892175 JLSRPTQSDDONNG-IAGOWNOFSA-N 460.187 4.651 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2014553630 NFGDMOLJUABACX-IAGOWNOFSA-N 477.737 4.906 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@H](Br)CC12CC2 2050646473 MVEJWZCHOTVATR-SSDOTTSWSA-N 458.013 4.805 50 10 JJGE CCOc1ccc([C@H](Br)c2cc(Br)n(C)n2)cc1Br 2094083292 ZQULHCQPEIJXGE-ZDUSSCGKSA-N 452.972 4.828 50 10 JJGE O=S(=O)(c1cc(Cl)c(F)cc1F)N(Cc1ccccc1)[C@H](CBr)C1CC1 2121055301 QMSYPNAAYGPHAX-QGZVFWFLSA-N 464.759 4.983 50 10 JJGE O=C(N[C@@H]1CC[C@H]2C[C@@]21CBr)c1c(Br)cccc1Br 2132101051 NGAMCAREYDJCMM-OLXJLDBKSA-N 451.984 4.505 50 10 JJGE Cn1ncc(Br)c1CC(CBr)(CBr)c1ccccc1F 2143636477 YUXWOWPCKZZPBM-UHFFFAOYSA-N 468.990 4.592 50 10 JJGE O=C(N[C@H]1CCCC[C@H]1CCCl)c1cc(I)ccc1Br 2146737450 OPBQMAMVETYHSH-HZMBPMFUSA-N 470.576 4.971 50 10 JJGE C[C@]1(CBr)C[C@H](NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 2180023865 BWKSARWQTPTQFR-ITWVYHRLSA-N 466.022 4.598 50 10 JJGE Cc1cc(S(=O)(=O)N2CCCN(Cc3ccccc3)C(C)(C)C2)sc1CBr 2193724638 JWUPWCBAPGZUOQ-UHFFFAOYSA-N 471.486 4.627 50 10 JJGE COc1ccc([C@@H](Br)[C@H]2C[C@H](Br)C2)cc1I 2243905551 PWLWXTKCCFKUGT-KBVBSXBZSA-N 459.947 4.909 50 10 JJGE CC(C)(C)[C@H](CCBr)NC(=O)c1ccc(Cl)c(I)c1 2268349498 QMGZWAYVKQKVKM-LBPRGKRZSA-N 458.565 4.874 50 10 JJGE C[C@H](Br)CN(C(=O)c1ccc(I)c(Cl)c1)C1CCC1 2272431027 KVCIPRUJXRXFNV-VIFPVBQESA-N 456.549 4.723 50 10 JJGE C[C@@H](Br)[C@H]1CCCN1C(=O)Cc1cc(Br)cc(Br)c1 2277931212 GMUHPCZYBSZIMZ-NOZJJQNGSA-N 454.000 4.529 50 10 JJGE CS(=O)(=O)C1CC([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288488773 MGBNRRVWNDAVKW-SHOFKNTGSA-N 496.993 4.749 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1[C@H]2CC[C@@H]1C[C@H](Br)C2 2295309629 LRDHDWZMANKNMZ-BTTYYORXSA-N 466.011 4.671 50 10 JJGE COc1cc(SC#N)ccc1NC=C1C(=O)N(c2ccc(I)cc2)N=C1C 2297452806 QZDHYTUDOLLQJN-UHFFFAOYSA-N 490.326 4.591 50 10 JJGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1ccc(I)c(Cl)c1 2303706769 IUMIORIWKFBTAK-HNNXBMFYSA-N 478.157 4.889 50 10 JJGE BrC[C@H](CC1CC1)NCc1ccc(I)c(Br)c1 2306224636 SIMWRFIDWICJJU-NSHDSACASA-N 472.990 4.707 50 10 JJGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593731 SAZFADTWMZVFAQ-XMMPIXPASA-N 487.581 4.729 50 10 JJGE CCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OC)CC[C@@H](C)C3)cc1OC 2314729092 VJIJCORJUQPNJL-CQSZACIVSA-N 454.548 4.612 50 10 JJGE C[C@@H](C(=O)NN=Cc1cccc(Cl)c1Cl)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 2325903216 HAPWNMCRSCPRDL-NEPJUHHUSA-N 463.390 4.601 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1C[C@@H](Br)CC2(CCC2)C1 2365592646 PAZAFWAERHCGPP-JTQLQIEISA-N 468.560 4.724 50 10 JJGE CN(CC[C@H](Br)c1cccs1)C(=O)c1cccc(I)c1 2365984471 HODOPAPJKVVDBN-ZDUSSCGKSA-N 464.166 4.951 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 14025337 MIWLOWOFMAWIKM-UHFFFAOYSA-N 483.790 4.902 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@@H]1c1ccc(Br)cc1 38651625 SUISJKUNNOFTSJ-IBGZPJMESA-N 453.317 4.948 50 10 JJGE Cc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccccc2Cl)nc2ccccn2c1=O 39858667 KYMZSERPVAOULO-VKAVYKQESA-N 456.889 4.994 50 10 JJGE CC(C)[C@@H](C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])n1cnc2cc(F)c(F)cc21 109537463 OFRMSVKRRWYGDQ-KRWDZBQOSA-N 457.359 4.582 50 10 JJGE O=S(=O)(NCC1(CBr)CCCCC1)c1cc(Cl)c(Br)s1 131520952 SVZONCKLWPHOQX-UHFFFAOYSA-N 465.660 4.788 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)c(OC)c1 205646929 WWONPJJTYQQQGT-IICUWCKUSA-N 468.509 4.849 50 10 JJGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)C1=O 214253816 FZPBXPVSFHBQBO-NLKUQUHMSA-N 496.567 4.947 50 10 JJGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccc1OC(F)(F)C(F)F 254448914 ILJCCIXGELJNOW-UHFFFAOYSA-N 489.425 4.591 50 10 JJGE CCCn1nc(C)c2c(C(=O)NN=C(C)c3cccc(OC(F)F)c3)cc(-c3cnn(C)c3C)nc21 254450308 MMQOWEJRVCBGMX-UHFFFAOYSA-N 495.534 4.614 50 10 JJGE CCN(CC)c1ccc(C=NNC(=O)CNc2c(Br)cc(C)cc2Br)cc1 254480340 YWCLZHMHKAFQGD-UHFFFAOYSA-N 496.247 4.928 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C)cc3)cc2OC)cc1 254494015 VFBYDNMVQNYGRM-UHFFFAOYSA-N 476.529 4.541 50 10 JJGE CC(=O)Oc1ccc(C(C)=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 254851620 PXSWCNCRERQKFJ-UHFFFAOYSA-N 499.596 4.801 50 10 JJGE O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@H]2[C@@H](c3ccc(Br)cc3)c3sc(=S)[nH]c3S[C@H]21 256027466 XHXQPGFJPVFZPJ-HBRKBTNUSA-N 480.430 4.756 50 10 JJGE C[C@H](Br)C[C@@H](C)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 398592078 QHKOCIMHRSAYTC-SFYZADRCSA-N 468.038 4.844 50 10 JJGE C[C@@H]1CCN(C(=O)c2cc(Br)ccc2Br)C[C@@H]1CBr 700431629 ITPNMVWYWKOMDN-ZJUUUORDSA-N 454.000 4.705 50 10 JJGE O=C(NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)[C@H]1C[C@@H]1c1cccc2ccccc12 730832658 CDEOVUBYRJRFMQ-RPBOFIJWSA-N 457.555 4.887 50 10 JJGE CC(C)c1ccc(C=NNC(=O)COc2ccc(Br)cc2Br)cc1 1083975780 WKTAPUDFUQCMAN-UHFFFAOYSA-N 454.162 4.864 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)nc1 1772744161 AGQBPYGBBADGIJ-UHFFFAOYSA-N 481.350 4.777 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)c1O 1865684390 PPLLYZYBHWZPHH-INIZCTEOSA-N 476.842 4.536 50 10 JJGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc3c(c2)OCCO3)cc1 1865698387 RYSXRMILGBRQFR-VWLOTQADSA-N 476.536 4.896 50 10 JJGE C[C@@H]1CC[C@@](CBr)(NC(=O)c2ccc(I)c(Cl)c2)C1 1880939430 ORZMHWZXEOMDHP-YMTOWFKASA-N 456.549 4.628 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@H](Br)Cc1ccc(Cl)cc1Br 1884184306 JGPFRPWIZFUAGM-LLVKDONJSA-N 457.549 4.705 50 10 JJGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C(F)(F)F 1892593980 TYVNUGSHDVSSHC-UPJWGTAASA-N 475.346 4.853 50 10 JJGE Cc1sc(Br)cc1S(=O)(=O)N(Cc1ccccc1)C[C@H](C)Br 1914632232 DUYCWBSARGGERU-NSHDSACASA-N 467.248 4.793 50 10 JJGE CC(C)C[C@H](CNCCSSCCNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C 1985349832 HELYGDKLHJFTDH-QGZVFWFLSA-N 465.726 4.669 50 10 JJGE C[C@H]1CN(C(=O)c2cc(Br)sc2Br)CC[C@@H]1CBr 2046681102 YEJNHOVWPIYBGH-JGVFFNPUSA-N 460.029 4.766 50 10 JJGE C[C@@]1(CBr)CC(F)(F)CN1Cc1ccc(I)c(Cl)c1 2142943403 LXEWZXGTEXRUPC-LBPRGKRZSA-N 464.519 4.939 50 10 JJGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2CCC[C@H](Cl)[C@H]2C1 2150970598 IBTUKTJWXIWFIG-WFBYXXMGSA-N 468.560 4.533 50 10 JJGE BrCCOCC1CCN(Cc2cc(Br)ccc2Br)CC1 2175154494 JJLPVZZQFJEOIE-UHFFFAOYSA-N 470.043 4.835 50 10 JJGE CN([C@@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1F 2179861843 NGPFYNMQSXZDDD-SJORKVTESA-N 476.795 4.742 50 10 JJGE Oc1nc2cc([C@@H](Br)c3cocc3Br)c(Br)cc2[nH]1 2270464967 SFAAAFKJJTYNQX-LLVKDONJSA-N 450.912 4.871 50 10 JJGE CN(Cc1ccc(I)cc1)c1nc2sccn2c1CBr 2280337080 LCNYUUIXKXGRDP-UHFFFAOYSA-N 462.154 4.532 50 10 JJGE Fc1ccc(I)c(-n2c(CCl)nc3cncc(Br)c32)c1 2287299309 BWUHRPBKDFRNLY-UHFFFAOYSA-N 466.479 4.666 50 10 JJGE CCOc1cc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc(Br)c1OC 2297325698 FKZOTZMDCJKPRE-UHFFFAOYSA-N 464.323 4.560 50 10 JJGE Cc1ccc(C(=O)N[C@@H](CCBr)COCc2ccccc2)cc1Br 2303544905 JVWSWANSKXPBKD-KRWDZBQOSA-N 455.190 4.858 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1cccc(C)c1 2313675653 IIZUXZVZXKAFBY-UHFFFAOYSA-N 456.498 4.535 50 10 JJGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3ccc(Cl)cc3)c(Oc3ccccc3)nc12 2314532472 JGQABHYLOFYHTH-UHFFFAOYSA-N 456.889 4.994 50 10 JJGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O 2314720462 PYGSGJLDVTXAQJ-AREMUKBSSA-N 480.520 4.986 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@@H](C)Oc2cccc(Br)c2)cc1 2314785804 OGCRCKMQJZCISE-MRXNPFEDSA-N 471.351 4.645 50 10 JJGE Cc1ccc(-c2cc(-c3ccc(Cl)cc3)cc(-c3ccc4c(c3)N(CC(=O)NN)C(=O)CO4)n2)cc1 19864068 VRJLWJBYPQJGHQ-UHFFFAOYSA-N 498.970 4.760 50 10 JJGE O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C\c1ccc(O)cc1 33096978 RKSHCKKFHUFYDA-MXAYSNPKSA-N 450.951 4.686 50 10 JJGE COc1cc(/C=C(/C#N)c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1cccc(C)c1 34988298 CWJDPWXSUDEOFP-UYRXBGFRSA-N 466.497 4.734 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@@H]1c1cccc(F)c1 38678409 WDCBOHDPZASXLS-QHCPKHFHSA-N 450.853 4.682 50 10 JJGE CCOc1cc(OCC)c(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 59333186 KORHADOKCLLFKX-XMHGGMMESA-N 484.394 4.502 50 10 JJGE CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1 206728018 GPYLMEGJYJSOCN-XRBXDRSNSA-N 481.508 4.804 50 10 JJGE CCCCCCCOc1ccc(/C=C2\C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1OCC 214287835 BMEQHOLKNSUDGV-PGMHBOJBSA-N 454.567 4.673 50 10 JJGE O=C(NC[C@H]1CCC[C@@H]1CBr)c1ccc(Br)cc1Br 232466565 LZPLVWVIUZMTGB-NXEZZACHSA-N 454.000 4.753 50 10 JJGE CCOc1ccc(NCC(=O)NN=Cc2cc([N+](=O)[O-])ccc2N(CC(C)C)CC(C)C)cc1 254449126 DENZGLDEPLOUQB-UHFFFAOYSA-N 469.586 4.674 50 10 JJGE Oc1nc2cc([C@@H](Br)c3coc(Br)c3)c(Br)cc2[nH]1 380894452 MDLDCFICWUMZDL-NSHDSACASA-N 450.912 4.871 50 10 JJGE COc1ccc(F)cc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382694369 WXUQNDRBAMXXAT-CRAIPNDOSA-N 469.294 4.622 50 10 JJGE Cc1cccc2c1CCN(C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C2 729414604 FZVBSWHEERYHNS-KGENOOAVSA-N 455.949 4.917 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc(Cc3ccncc3)cc2)c(-c2ccccc2)n1 914459747 HNKNWGYHDIQUCF-MOHJPFBDSA-N 458.525 4.995 50 10 JJGE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NNc2cccc(F)c2)c1 1631037319 LBVHJGXLHRZXJH-UHFFFAOYSA-N 459.930 4.617 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1OCC 1865689013 HPGWIGKCYIUVIY-HXUWFJFHSA-N 484.478 4.966 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc(OC)c1OC 1865692070 IQORHQMAPLYALG-HXUWFJFHSA-N 487.343 4.732 50 10 JJGE COCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)C[C@@H]1C 1868207564 NZKWQCNMPQHKSJ-SFTDATJTSA-N 488.661 4.930 50 10 JJGE COc1ccc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1OCc1ccc(Cl)cc1 1873793132 XYIGVNTXBQAPKQ-VATWTLTGSA-N 490.000 4.927 50 10 JJGE COc1ccc(/C=N/NC(=O)[C@@H](N)Cc2ccccc2)cc1OCc1ccc(Cl)cc1Cl 1873793193 BIOAOMCWHBWHSV-PXGAOIJESA-N 472.372 4.601 50 10 JJGE C[C@@H](NC(=O)c1csc(Br)c1Br)c1nnc(CBr)s1 1877549845 URATUANOQSNGTM-SCSAIBSYSA-N 490.040 4.511 50 10 JJGE CC1(C)C[C@@H](Br)CN(C(=O)c2csc(Br)c2Br)C1 1923163033 ZTEDKPZZAUQKHO-SSDOTTSWSA-N 460.029 4.909 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CC2(CC2)C[C@H]1CBr 2037826862 FPCNXQIJMIZGRV-ZETCQYMHSA-N 458.013 4.663 50 10 JJGE COc1ccc(F)c(Cn2nc(CBr)c(I)c2C(F)(F)F)c1 2079245801 NYOFUMKKXRPFPT-UHFFFAOYSA-N 493.036 4.597 50 10 JJGE CC(C)c1nc(Br)c(Br)n1CC1(CBr)CCOCC1 2087650517 JQSDVDPTSSBEPF-UHFFFAOYSA-N 459.020 4.723 50 10 JJGE CC(C)[C@H](Br)c1cn(Cc2c(Br)cccc2Br)nn1 2121069154 XNQKDDCODJRIRH-ZDUSSCGKSA-N 451.988 4.943 50 10 JJGE C[C@@H]1CC[C@H](CCl)CN1C(=O)c1ccc(Br)cc1I 2142289691 SJGFJQNDHMWTTP-NXEZZACHSA-N 456.549 4.533 50 10 JJGE O=S1(=O)CCC([C@H](Br)c2scc(C(F)(F)F)c2Br)CC1 2146095306 NIAYMPJIXARYGB-QMMMGPOBSA-N 456.143 4.790 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1[C@H](CBr)C[C@H]2CCC[C@H]21 2164656799 QNXNXWPIODKXRN-OLUVUFQESA-N 468.560 4.723 50 10 JJGE CN(C[C@H](Br)C1CCCC1)C(=O)c1ccc(I)c(Cl)c1 2167647896 SYMGCWLCVVGPQA-LBPRGKRZSA-N 470.576 4.970 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H]2CCC[C@H](C1)C2Br 2167781622 NGXZBPXHJFMEJR-XFLKPENQSA-N 466.011 4.847 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC2(CBr)CCC1CC2 2178886080 MJGWZIRJCXPUOX-UHFFFAOYSA-N 466.011 4.991 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC2(CBr)CCC1CC2 2178887465 IPZQEMOQOLWOMB-UHFFFAOYSA-N 466.011 4.991 50 10 JJGE C[C@H]1CCCN(C(=O)c2ccc(Br)cc2I)[C@H]1CCCl 2207272296 NCSMXZLXKTYWJO-HZMBPMFUSA-N 470.576 4.923 50 10 JJGE CS(=O)(=O)c1csc([C@@H](Br)c2ccc(Cl)c(I)c2)c1 2268272890 GVLNQSLWHGBOBG-LBPRGKRZSA-N 491.597 4.894 50 10 JJGE C=CC[C@]1(CBr)CCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2287838760 SJMLAVYUXOWVFY-GFCCVEGCSA-N 463.644 4.658 50 10 JJGE COc1ccccc1C(C#N)=Cc1cccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)c1 2320511408 SXVJDRPJVKBYEP-UHFFFAOYSA-N 466.493 4.741 50 10 JJGE COc1ccc(-c2ccc(C(=O)NN=C(C)c3ccc(Br)cc3)c(C)n2)cc1OC 2321281142 RKSVXQRIGLPXAC-UHFFFAOYSA-N 468.351 4.991 50 10 JJGE CC(C)[C@H]1C[C@H](Br)CN1C(=O)c1cc(Br)c(Br)s1 2321512873 XIXHUVLKTYXJDQ-IONNQARKSA-N 460.029 4.907 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)c(OC)c1 2331386748 JNVSSNGQBZKHNN-UHFFFAOYSA-N 469.475 4.703 50 10 JJGE N#C/C(C(N)=O)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1 1790805 RRAFFQZLAMNBFJ-CXDFQFJYSA-N 497.201 4.667 50 10 JJGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 14029745 MCDKOQGFBWIXFC-CQSZACIVSA-N 498.432 4.665 50 10 JJGE Cc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)NN(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 27533617 GJYYOMPTYRZTLC-UHFFFAOYSA-N 484.434 4.558 50 10 JJGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)c2nc3ccccc3n2C)cc1 35242644 MHXGTQOXASJDMP-SDXDJHTJSA-N 463.497 4.755 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1 38685841 RCBXLKNHGPJWNO-PUAOIOHZSA-N 474.488 4.815 50 10 JJGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccncc2)CCC3)cc(C)c1Cl 40814057 YPDSOCBWIBKWGI-OVVQPSECSA-N 451.910 4.943 50 10 JJGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)OCC)cc2OC)cc1 206270641 MQIKLADUUQNSMX-JFJYUCGMSA-N 474.513 4.857 50 10 JJGE COc1cc(OC)c(C=NNC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1Br 252460447 FLVWXUARGFVTDN-FQEVSTJZSA-N 479.374 4.923 50 10 JJGE CCn1c2ccccc2c2cc(NC(=O)CC(C)=NNC(=O)COc3ccc(OC)cc3)ccc21 254352154 ZGLZWUVDEYZGTR-UHFFFAOYSA-N 472.545 4.723 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)COc2ccc(F)cc2)cc1 254624051 XNXJXBPGLVEENX-UHFFFAOYSA-N 472.520 4.996 50 10 JJGE COc1cc(OC)c(OC)cc1C=NNC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1 254721037 JJIHVHOYENQFIY-UHFFFAOYSA-N 456.502 4.533 50 10 JJGE CC(=NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(Cl)cc1 254751003 XGPOKVRYSKMPBK-UHFFFAOYSA-N 462.358 4.948 50 10 JJGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(C)cc2)cc1 254822958 BUZUXBGRNHBIGK-UHFFFAOYSA-N 487.585 4.502 50 10 JJGE Cc1cc(C)cc(N(CC(=O)NN=Cc2ccccc2C(F)(F)F)S(=O)(=O)c2ccccc2)c1 254833005 BAZLPLMPNQTADO-UHFFFAOYSA-N 489.519 4.668 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@H]2CC[C@@H](Br)[C@H]1C2 721563807 GJCQPINRXKQPQQ-OWYVNGRQSA-N 466.011 4.990 50 10 JJGE O=C(NCc1ccc(OCCOc2ccc(Cl)cc2)cc1)NNC(=O)c1ccc(Cl)cc1 728218440 BHXWHHSSWMZZOU-UHFFFAOYSA-N 474.344 4.595 50 10 JJGE C[C@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(=O)N(C)c1ccccc1 782092071 BREZGLDYBNVCAE-XTFSCAMASA-N 487.947 4.619 50 10 JJGE CC1=C(C(=O)NN=Cc2ccccc2Cl)[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 1084430965 BKSQYLKDLAZAGQ-KRWDZBQOSA-N 453.782 4.590 50 10 JJGE C#CCNC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C 1358442919 DUQQBLIYZDDADA-HKWRFOASSA-N 456.933 4.656 50 10 JJGE Cc1c(C(=O)N2CCCCCC2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744549 WRGCAHLPLFBMFM-UHFFFAOYSA-N 472.383 4.837 50 10 JJGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772745354 XHDWJSMFSWMIIO-UHFFFAOYSA-N 454.486 4.565 50 10 JJGE COc1ccc(C=NNC(=O)CCCOc2ccc(C)cc2Br)cc1Br 1772755347 BYOJTONFQKZTET-UHFFFAOYSA-N 484.188 4.838 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)c1O 1865684717 WLTMUKJKOGWWCM-MRXNPFEDSA-N 476.842 4.536 50 10 JJGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)c1 1865693417 JQEPTFVIHUCBPR-LJQANCHMSA-N 470.451 4.907 50 10 JJGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccccn2)C(C#N)=C(N)O3)cc1 1865700206 NCWLCGJNZOHAEU-NRFANRHFSA-N 455.905 4.814 50 10 JJGE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccccc1OCc1ccccc1Cl 1865703684 ZEDZXWDFTJURNH-KRWDZBQOSA-N 460.843 4.889 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707035 MFIRWNOKGQKVCZ-XMMPIXPASA-N 480.524 4.783 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1ccccc1O 1865707908 JBDNDLQPRDJQBF-HNNXBMFYSA-N 477.240 4.577 50 10 JJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 1865709477 VUGPEBHRPBPDLR-LJQANCHMSA-N 469.328 4.746 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865715148 XQHAINKDWPXJJM-FQEVSTJZSA-N 483.887 4.508 50 10 JJGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1CBr 1885382365 DYEAEUGUDZTHIE-UHFFFAOYSA-N 460.393 4.981 50 10 JJGE O=S1(=O)CCC[C@@H]([C@@H](Br)c2sc(Br)cc2Br)C1 1922887095 UXUPQLPXLYKZTD-HZGVNTEJSA-N 467.042 4.534 50 10 JJGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(C)cc1 2040991900 JMNKGIBSKIYPJF-DEOSSOPVSA-N 478.552 4.619 50 10 JJGE C[C@](CBr)(NC(=O)c1csc(Br)c1Br)C(F)(F)F 2043177734 XIPXMLXYILWTME-MRVPVSSYSA-N 473.934 4.719 50 10 JJGE CC1(C)C[C@H](CBr)CN(c2ncc(I)cc2Br)C1 2069529463 QEWNBNANNWCPJV-SECBINFHSA-N 488.005 4.696 50 10 JJGE COC[C@]12C[C@]([C@H](Br)c3cc(Br)c(Br)s3)(CO1)C2 2085222722 PRSZCXASLJMXTA-YUSALJHKSA-N 461.013 4.905 50 10 JJGE O=S(=O)(C[C@H](Br)c1cc(Br)sc1Br)N1CCCCC1 2089393853 OIMKKBLJWJIXKQ-VIFPVBQESA-N 496.084 4.525 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@@H](Br)[C@@H]1C1CC1 2130608426 SXGKPQCQXXZSCM-YPMHNXCESA-N 451.984 4.600 50 10 JJGE O=C(c1sccc1I)N1CCC[C@]2(CBr)CCCC[C@H]12 2165295099 XDKNAOPCCFYCDD-WFASDCNBSA-N 468.198 4.913 50 10 JJGE O=S(=O)(N[C@@H](CBr)c1ccsc1)c1ccc(Br)cc1Cl 2175669401 SATVJAUEUQNUKQ-NSHDSACASA-N 459.612 4.579 50 10 JJGE CN(C(=O)c1cc(I)ccc1Br)[C@H](CCCl)C(F)(F)F 2178515928 QHJRIPVYOAOCPV-SNVBAGLBSA-N 484.481 4.686 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1CN(Cc2ccc(CBr)cc2)C[C@H]1C(F)(F)F 2182845307 OPYIRRFWRIBQEO-JKSUJKDBSA-N 451.327 4.717 50 10 JJGE Cc1c(Br)cnc2c1nc(CCl)n2-c1cccc(I)c1 2184923253 WXFWHQMBLOHVJE-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE O=C(N[C@@H](CCl)[C@@H]1CC=CCC1)c1cc(I)ccc1Br 2196158765 AXVKBDVPAOTAAB-YGRLFVJLSA-N 468.560 4.747 50 10 JJGE CC[C@H](C)[C@H](CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2201194941 GZXDIBPJNJMAIM-CPCISQLKSA-N 468.038 4.844 50 10 JJGE Cc1ccc(I)c(C(=O)N[C@@H](C)CCCCCI)c1 2232168104 XMURECCMUGKLEU-LBPRGKRZSA-N 485.147 4.713 50 10 JJGE Cn1nc(Br)c(CC(CBr)(CBr)c2cccc(Cl)c2)n1 2235293491 MTGCWJHUSHDRTJ-UHFFFAOYSA-N 486.433 4.501 50 10 JJGE CC1(C)C[C@H](Br)CN(C(=O)c2ccc(Cl)c(I)c2)C1 2268346792 RXKQKKLHENIBLL-JTQLQIEISA-N 456.549 4.580 50 10 JJGE CC(=NNC(=O)c1ccc(Br)o1)c1ccc(NC(=O)C=Cc2ccccc2)cc1 2295278257 GEPGIFOXEGFGFR-UHFFFAOYSA-N 452.308 4.848 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)ccc1C 2314760617 QUWNDPLTQVCIGW-UHFFFAOYSA-N 474.513 4.503 50 10 JJGE CCOc1c(Cl)cc(C=NNC(=O)c2cccn(Cc3ccc(C)cc3)c2=O)cc1Cl 2318418214 UBMTWWOQLZDWDU-UHFFFAOYSA-N 458.345 4.674 50 10 JJGE N#CC(=CNc1cc(Cl)ccc1O)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2318455616 XOYJFNVAOIWEAO-UHFFFAOYSA-N 472.976 4.799 50 10 JJGE Cc1sc2ncn(CC(=O)NN=Cc3ccccc3C(F)(F)F)c(=O)c2c1-c1ccccc1 2325903948 MYTFLOOTAQBATE-UHFFFAOYSA-N 470.476 4.603 50 10 JJGE CC[C@]1(C)[C@H](Cl)CCN1C(=O)c1ccc(I)c(Br)c1 2336767062 PVITUZMZEZHDKN-TZMCWYRMSA-N 456.549 4.676 50 10 JJGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 14033077 YHXIHXYZAGXKOC-UHFFFAOYSA-N 498.649 4.580 50 10 JJGE Cc1ccc(-n2c(SCC(=O)NNC(=O)c3ccc(F)cc3)nnc2-c2ccc(Cl)cc2)cc1 21120521 BWMIONPDZYFSNG-UHFFFAOYSA-N 495.967 4.589 50 10 JJGE COc1ccc2o/c(=N/NC(=O)c3ccc(Br)cc3)c(-c3nc4ccccc4[nH]3)cc2c1 27496733 ACGXYLUTXSOUKL-RMLRFSFXSA-N 489.329 4.993 50 10 JJGE CCOc1ccc(Br)cc1/C=C\C(=O)Oc1ccc(/C=C(\C#N)C(=O)OC)cc1OC 33693589 ZOPKMNBSNLRWNA-UPWDGHCPSA-N 486.318 4.555 50 10 JJGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccs3)ccc21 38660715 QPZCMEPATNSRGZ-FQEVSTJZSA-N 483.343 4.957 50 10 JJGE COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1OC 40846858 MOQJLUJBGABPQS-VULFUBBASA-N 454.910 4.709 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(OC)cc1 40926625 CMQUNIZAVWCVGS-QZZJTICTSA-N 472.497 4.529 50 10 JJGE CCCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2)cc1 100153703 MBMREDLCISMNCC-UHFFFAOYSA-N 463.372 4.638 50 10 JJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC)C(=O)C(C#N)=C2C)cc1 214207803 BMFOKNVNQPSUJQ-HAHDFKILSA-N 452.514 4.550 50 10 JJGE CN1CCN(c2ccc(N/C=C(/C#N)C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)CC1 217211351 KMNVHUCEXHBAKD-MRCUWXFGSA-N 453.546 4.689 50 10 JJGE COc1ccc(C(=O)NN=Cc2c(OC(=O)c3ccc(OC)cc3)ccc3ccccc23)cc1 254744965 KDEFOKOTZRZZNM-UHFFFAOYSA-N 454.482 4.840 50 10 JJGE Cc1cc(C)cc(N(CC(=O)NN=Cc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1 254756562 UITZCOABTOBVEG-UHFFFAOYSA-N 489.519 4.668 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H](CCl)C1)c1cc(Br)ccc1I 312245926 DOAADDFPCJTGQO-GHMZBOCLSA-N 470.576 4.829 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](CBr)[C@H](c2ccc(I)cc2)C1 382699247 WGHPGMHWRSJOSC-JSGCOSHPSA-N 466.157 4.637 50 10 JJGE O=C(N[C@H](CBr)C1CCCC1)c1ccc(I)c(Cl)c1 386343803 LXPZNMVNVCDZDR-CYBMUJFWSA-N 456.549 4.628 50 10 JJGE CCOc1cc(Br)c(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 1084039594 DQMGRNLBWJYTNI-XMHGGMMESA-N 484.394 4.502 50 10 JJGE COc1c(C(=O)NN=Cc2ccccc2OCc2ccc(C(=O)O)cc2)ccc2ccccc12 1084219421 OBGRIKIYOBLSLO-UHFFFAOYSA-N 454.482 4.890 50 10 JJGE C=CCN1C(=O)c2ccc(C(=O)Nc3ccccc3S[C@@H](Cl)C(F)(F)F)cc2C1=O 1124715506 CWMWIVLYNGXCII-LJQANCHMSA-N 454.857 4.940 50 10 JJGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3Br)n2)cc1 1860551012 DWKNRFOCIJQOPS-UHFFFAOYSA-N 453.321 4.922 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)c1O 1865684762 XNASKJLGRBXSSJ-HSZRJFAPSA-N 464.525 4.839 50 10 JJGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)c1 1865689542 BSCQQVYDPBMDRU-NRFANRHFSA-N 452.917 4.903 50 10 JJGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865707828 HEDOFCFCUAJGFZ-DEOSSOPVSA-N 452.514 4.823 50 10 JJGE N#C/C(=C\c1ccc(Br)cc1)C(=O)NC[C@H](c1ccccc1)S(=O)(=O)c1ccccc1 1866128930 TWWOSZAHLHOKET-QFXGEWDLSA-N 495.398 4.687 50 10 JJGE O=C(c1csc(Br)c1Br)N1CCS[C@@H](CCBr)C1 2032959284 ZAEPRMIPCZQGNE-ZETCQYMHSA-N 478.069 4.616 50 10 JJGE O=S(=O)(c1cc(CBr)ccc1Cl)N(Cc1ccccc1)CC(F)(F)F 2059267843 SJVMSKRKDKTZAV-UHFFFAOYSA-N 456.711 4.988 50 10 JJGE CC[C@H](C)[C@H](CI)NC(=O)c1cccc(Br)c1Br 2081244919 ATAWZUDFBAGCEO-KWQFWETISA-N 488.989 4.791 50 10 JJGE C[C@H]1CC[C@@H](CBr)N(C(=O)c2cc(Br)ccc2Br)C1 2110615371 FHBODZVEXSBYKT-ONGXEEELSA-N 454.000 4.847 50 10 JJGE O=S(=O)(c1ccc(CCl)c(Br)c1)N1CCC[C@@H](OCc2ccccc2)C1 2129829076 XWXJYTCJUNKVFG-QGZVFWFLSA-N 458.805 4.558 50 10 JJGE COc1c(C)cc(Br)cc1[C@H](Br)c1cnn(C)c1Br 2141618139 XFIUUBFSODEDOS-NSHDSACASA-N 452.972 4.746 50 10 JJGE CC1(C)[C@@H](Br)CC[C@H]1NC(=O)c1cc(Br)ccc1Br 2142134784 JUDPEJWXTYBEOH-NWDGAFQWSA-N 454.000 4.894 50 10 JJGE CC(C)(C)N1C[C@@H](Br)[C@@H](Cc2ccc(I)c(Cl)c2)C1 2142936703 KVQLJXLKYKNZOA-NWDGAFQWSA-N 456.593 4.981 50 10 JJGE C[C@@H](Br)[C@H]1CCCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2193585058 SXWLPRXXUDEIHE-RDDDGLTNSA-N 466.022 4.692 50 10 JJGE FC1(F)C[C@@]1(Br)Cn1c(CCCl)nc2cc(I)ccc21 2202506372 QECDDNJXGREZBH-GFCCVEGCSA-N 475.502 4.595 50 10 JJGE CN(C(=O)c1ccc(Br)cc1I)C1CCC(CCl)CC1 2207270671 CVEBOIDZXDRHCA-UHFFFAOYSA-N 470.576 4.923 50 10 JJGE CCN(C(=O)c1cccc(Br)c1Br)[C@@H]1CCC[C@H]1Br 2224419629 PQLAKDHMBNYDDI-ZYHUDNBSSA-N 454.000 4.990 50 10 JJGE Cc1ccc(I)c(C(=O)NC[C@@H]2CCC[C@H](CBr)C2)c1 2240910301 BDRIXFZHQRANKB-QWHCGFSZSA-N 450.158 4.531 50 10 JJGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1cnn(C)c1I 2264360292 BIRDPNJBXZLCHS-NSHDSACASA-N 475.939 4.824 50 10 JJGE C[C@@]1(CBr)C=CCCN1C(=O)c1cc(Br)ccc1I 2264398754 KNAULGDIHVTXIQ-AWEZNQCLSA-N 498.984 4.609 50 10 JJGE O=C(N[C@@H](CBr)c1ccsc1)c1ccc(Cl)c(I)c1 2268357713 KIGPOPMXIVDNCG-LBPRGKRZSA-N 470.557 4.872 50 10 JJGE N#CC(=CNc1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2295894377 YOBVLONUCAFUEE-UHFFFAOYSA-N 461.415 4.709 50 10 JJGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(CCCC)cc2)C(=O)N1c1ccc(OC)cc1 2314592876 DBCIXBFQSLIBQN-XMMPIXPASA-N 475.614 4.766 50 10 JJGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)NC)cc1 2314592939 DTHRKBLRQJWYPD-LJQANCHMSA-N 476.385 4.564 50 10 JJGE CNC(=O)C(C#N)=C1S[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(C)c(C)c1 2314593316 LEAVMIBOWIVLMO-LJQANCHMSA-N 460.386 4.783 50 10 JJGE CC(C)(CI)CN1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 2326669894 RAIGYHQCRNKKAA-SJORKVTESA-N 464.432 4.807 50 10 JJGE N#CC(=C(O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(Cl)s2)cs1 2331402403 XQWUCLTXVJAVRZ-UHFFFAOYSA-N 486.918 4.912 50 10 JJGE CC(C)[C@H](Cl)C(C)(C)NC(=O)c1cc(Br)ccc1I 2340526624 YJMMAXJSGQQQTF-LBPRGKRZSA-N 458.565 4.826 50 10 JJGE CC(C)N(CCOCCBr)Cc1ccc(Cl)cc1I 2341059727 NUFISDBXLCFLFT-UHFFFAOYSA-N 460.581 4.567 50 10 JJGE CC[C@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 9872507 WSGVFUCSWRSRAJ-VQTJNVASSA-N 473.573 4.989 50 10 JJGE O=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc(OCc2cscn2)c1 16260585 ATNUIXMUIPBAME-UHFFFAOYSA-N 495.564 4.650 50 10 JJGE CCCCC/C(C)=N\NC(=O)[C@H](CSCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 20072553 IIRQFZWVLQWEAP-IQUBBUBFSA-N 470.595 4.699 50 10 JJGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cc(C)cc(C)c3)ccc21 38650533 BDKMKFIZJQLJKQ-HHHXNRCGSA-N 470.525 4.905 50 10 JJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1 38700940 PUMDYEYEVYUXRI-HSZRJFAPSA-N 490.899 4.573 50 10 JJGE CCCCc1ccc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])cc1 40581288 KOSCNOZKMVJLQX-UHFFFAOYSA-N 485.342 4.990 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 58893218 NFJNOXWWBXDJHL-JQXKRNIHSA-N 462.594 4.523 50 10 JJGE CCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 100869932 JLCIISVSGVJNBV-YZSQISJMSA-N 456.539 4.742 50 10 JJGE O=c1[nH]c2cc(Br)c([C@H](Br)c3sccc3Br)cc2[nH]1 111536835 JIDZWSDQAVGYRC-JTQLQIEISA-N 466.980 4.927 50 10 JJGE Cc1ccc(NCc2nnc(S[C@@H](C)C(=O)NN=Cc3ccccc3F)n2-c2ccccc2)cc1 252637606 XUIRPZQENSIFQL-IBGZPJMESA-N 488.592 4.958 50 10 JJGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(F)cc2)cc1 254685780 OBGAXDSSMFQFLO-RGNUTHIZSA-N 458.537 4.593 50 10 JJGE O=C1Cc2cc([C@@H](Cl)c3ccc(I)cc3)c(Br)cc2N1 312444313 QPRZSHKNGYOXKA-HNNXBMFYSA-N 462.512 4.877 50 10 JJGE O=C(NN=Cc1c(Cl)cccc1OCc1ccccc1Cl)C1CCN(c2ncccn2)CC1 728783228 FHEYAVKMIFOAOF-UHFFFAOYSA-N 484.387 4.729 50 10 JJGE CS(=O)(=O)Cc1cccc(CNC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)c1 749191161 DKNICENIUVDCGB-MRXNPFEDSA-N 466.934 4.772 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2cccc(C#Cc3ccccn3)c2)c(-c2ccccc2)n1 914468489 BKEZNWGGZNVSAQ-CLCOLTQESA-N 468.520 4.804 50 10 JJGE CC[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C)c1ccccc1OCC(=O)NC 917729369 FAJGCVLMQRDELI-IJKLPWTBSA-N 488.563 4.533 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)NCc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1083947739 IEIGBQAYIOUMDC-UHFFFAOYSA-N 477.779 4.821 50 10 JJGE Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 1084092358 SGIMCLOWVXDGLR-HAVVHWLPSA-N 469.545 4.567 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cc(C(=O)OC)ccc3C)c2C)cc1 1084235232 SEEQGLFEZWZZOK-SANMLTNESA-N 491.588 4.552 50 10 JJGE O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccc(N(CCCl)CCCl)cc1 1084410913 CKNBSEUQMQYTRB-PGMHBOJBSA-N 482.367 4.790 50 10 JJGE C/C(=C\c1ccc(Cl)cc1)C(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1 1442524317 CTAUGNUDUXTGGT-UGOOHZPOSA-N 459.977 4.518 50 10 JJGE CCOc1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccc(SC#N)cc3)CC2)cc1OC 1860595475 MRKXWSYTOJMSBR-VZUCSPMQSA-N 465.575 4.558 50 10 JJGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)cc1OC 1865695789 HFDSEDPBDHUHJW-QGZVFWFLSA-N 450.461 4.625 50 10 JJGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccn2)cc1OC 1865696456 NIJVLYTUSRZZGH-HSZRJFAPSA-N 459.550 4.625 50 10 JJGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865707166 PPPDURRLOXPGCX-NRFANRHFSA-N 450.926 4.714 50 10 JJGE C[C@@H]1c2ccc(CNC(=O)/C(C#N)=C/c3ccc(Cl)cc3)n2CCN1C(=O)OC(C)(C)C 1866127956 OPYXDYALSGYBDD-APVMCDBPSA-N 454.958 4.677 50 10 JJGE CC[C@](C)(NC(=O)Cc1nc(-c2ccccc2OC)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866672983 YPDKYZLBYLUUKJ-VWLOTQADSA-N 478.574 4.698 50 10 JJGE COc1ccccc1-c1csc(/C(C#N)=C(\O)CN2C(=O)c3ccc(Br)cc3C2=O)n1 1872746973 IHGVXOVJDGMRGL-VLGSPTGOSA-N 496.342 4.670 50 10 JJGE COc1cc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCCN1CCOCC1 1872782895 WBJXZNUVLVKRQB-DEDYPNTBSA-N 492.557 4.502 50 10 JJGE Cc1ccc(Br)cc1CC[C@H](Br)CN1C(=O)c2ccccc2C1=O 1905404756 MLXMTFLAQAWMIQ-HNNXBMFYSA-N 451.158 4.750 50 10 JJGE C[C@@H](CCl)C(=O)Nc1cc(Br)c(I)c(Br)c1 1938593522 FOPOPQFPHFCZFH-YFKPBYRVSA-N 481.353 4.630 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H]2[C@H](Br)CC[C@H]2C1 2027634675 FCIKYHUIGHGJBI-XLPZGREQSA-N 458.013 4.519 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CC(F)(F)C[C@H]1CBr 2041125493 VTEOHDBMJLYPHO-YFKPBYRVSA-N 467.955 4.518 50 10 JJGE BrCC[C@@H]1CSCCN1Cc1cc(Br)ccc1Br 2054711437 DTQLCFYOODCEEJ-GFCCVEGCSA-N 458.057 4.914 50 10 JJGE Fc1cc(C(F)(F)F)cc(-n2nc(CCl)c(I)c2C(F)(F)F)n1 2078890178 JWJNJCVWCJWIMX-UHFFFAOYSA-N 473.517 4.787 50 10 JJGE Clc1ccc(I)c(CN2C[C@@H]3CCC[C@]3(CBr)C2)c1 2103168644 MRVNMCUCKOFNHF-WFASDCNBSA-N 454.577 4.942 50 10 JJGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1c(Br)cccc1Br 2104407652 IBIHKJPAWVHWNC-FCMYFTRRSA-N 451.984 4.503 50 10 JJGE C[C@@H]1C[C@@H](CBr)CCN1C(=O)c1cccc(Br)c1Br 2115829618 DALKRTQOKUVUQB-ZJUUUORDSA-N 454.000 4.847 50 10 JJGE F[C@]12CCC[C@@]1(CBr)CN(c1ncc(Br)cc1Br)C2 2120119564 IPQSHUSWSLABSE-OLZOCXBDSA-N 456.979 4.700 50 10 JJGE COC[C@]12C[C@]([C@@H](Br)c3ccc(Br)cc3Br)(CO1)C2 2141166901 UJQXHAFPDLROQF-IHRRRGAJSA-N 454.984 4.843 50 10 JJGE CC(C)(CCCCl)CNC(=O)c1ccc(Br)cc1I 2142285137 MCYYEXVPRZEZDS-UHFFFAOYSA-N 458.565 4.829 50 10 JJGE CC[C@@H](Cl)CN(C(=O)c1ccc(Br)cc1I)C1CC1 2142285719 TUNUJMVNCMMUKB-SNVBAGLBSA-N 456.549 4.676 50 10 JJGE CC1(C)CCC[C@]1(CCl)NC(=O)c1cc(Br)ccc1I 2150540920 DNNVIKREOBOTNY-OAHLLOKOSA-N 470.576 4.971 50 10 JJGE CN(C(=O)c1cc(Br)ccc1I)[C@@H](CCCl)C(F)(F)F 2178515439 LVDZKZSMSRGIOE-JTQLQIEISA-N 484.481 4.686 50 10 JJGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)cc(C)c1C 2179863035 GHAWNYCQUAKELJ-UHFFFAOYSA-N 454.430 4.814 50 10 JJGE C[C@@]1(CNC(=O)c2ccc(Br)cc2I)CCC[C@@H]1Cl 2271296011 UVZVVTHANJRQJS-JSGCOSHPSA-N 456.549 4.581 50 10 JJGE CN(C(=O)c1csc(I)c1)[C@H](CBr)c1ccccc1 2279000179 PFBUBSHSOOBBJA-GFCCVEGCSA-N 450.139 4.561 50 10 JJGE CCOc1cc(C=C(C#N)c2nn(CCC#N)c(N)c2C#N)ccc1OCc1ccc(Cl)cc1 2297579079 PNHAUPZZAIGKQQ-UHFFFAOYSA-N 472.936 4.946 50 10 JJGE Brc1cc(CN2C[C@H]3C[C@H](Br)C[C@H]3C2)ccc1I 2325210016 UQYJFKNMOMDHAE-GDNZZTSVSA-N 485.001 4.659 50 10 JJGE COc1ccc(NC=C(C#N)C(=O)Nc2ccc(I)cc2C)cc1Cl 2325405855 FJTVWMJBTJMFMU-UHFFFAOYSA-N 467.694 4.720 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccccc2F)cc1 2328821120 FXEWBDZDZIOZDK-JTSKRJEESA-N 457.546 4.794 50 10 JJGE CN(Cc1sccc1I)[C@H](CBr)Cc1ccccc1 2338753786 AATKVERRGBKABJ-ZDUSSCGKSA-N 450.183 4.791 50 10 JJGE O=C(CI)Nc1ccc(Br)cc1C(=O)c1ccccc1Cl 3154149 TZJGKVMRXKHJRG-UHFFFAOYSA-N 478.511 4.707 50 10 JJGE O=C(NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(OCCOc2ccccc2)cc1 14039464 PTGCPJGJYDUPCD-UHFFFAOYSA-N 452.510 4.886 50 10 JJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1OC 38680856 NWQJWFAGQHVZTJ-RUZDIDTESA-N 472.472 4.836 50 10 JJGE C[C@H](Cl)C(=O)Nc1c(Br)cc(Br)c2c1C(=O)c1ccccc1C2=O 39899500 GPPLWLPYKCKDCN-ZETCQYMHSA-N 471.532 4.553 50 10 JJGE O=C(COc1ccc(-c2ccccc2)cc1Br)N/N=C/c1ccccc1[N+](=O)[O-] 40902804 CMVCIFVGHIEECC-YDZHTSKRSA-N 454.280 4.553 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCC)c(OC)c2)c(OC)c1 40970715 KXPZKUKUWBGPQZ-RMFULTEWSA-N 478.545 4.545 50 10 JJGE O=C(NN=Cc1ccccc1[N+](=O)[O-])c1csc(-n2nc(C(F)(F)F)cc2-c2ccccc2)n1 254704040 DCWDQQXUVRSGQO-UHFFFAOYSA-N 486.435 4.687 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)Cc3ccccc3)cc2OCC)cc1 254791408 MRMRJRZVPUEQCQ-UHFFFAOYSA-N 460.530 4.786 50 10 JJGE CCN(C(C)(C)CBr)S(=O)(=O)c1cc(Br)c(C)cc1Br 688389331 UDVYCOXKPACXCY-UHFFFAOYSA-N 492.071 4.704 50 10 JJGE CN(C[C@@H](Br)C1CC1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 690147064 RLJDSGLULVNQFP-SECBINFHSA-N 466.022 4.550 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)OCCOc2ccc(F)cc2)c(-c2ccc(Cl)cc2)n1 782086830 GUWHZETWHJEKAD-NBVRZTHBSA-N 464.884 4.785 50 10 JJGE CC(=O)N1CCc2cc(NC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccc(Cl)cc3)ccc21 818036713 BEVQGKKZFMSCLE-MOSHPQCFSA-N 484.947 4.572 50 10 JJGE Cc1ccc(N(CC(=O)NN=Cc2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)c1 1083924053 MFRNWRVKUCCUKL-UHFFFAOYSA-N 463.603 4.772 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1 1084462773 ZRUOKROVEZEALC-QFIPXVFZSA-N 451.479 4.526 50 10 JJGE C=CCOc1c(Cl)cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Cl 1084564618 VPNUIFQIMZEIKY-UHFFFAOYSA-N 455.341 4.944 50 10 JJGE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NNc2ccccc2C)ccc1Cl 1472527778 BIRVFMCESRYXLI-UHFFFAOYSA-N 455.967 4.787 50 10 JJGE CC(=O)c1ccc(Nc2ccccc2C(=O)NNC(=O)CSc2ccc(Cl)cc2)cc1 1624319757 OZIDMSHVKZZMDW-UHFFFAOYSA-N 453.951 4.840 50 10 JJGE Cc1ccc(CNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)cc1 1772751300 MMLGVBACDRUYMU-UHFFFAOYSA-N 466.541 4.845 50 10 JJGE CCOc1ccc(NC(=O)COc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)cc1 1858832464 HTVVPUQTUNRFCU-UHFFFAOYSA-N 463.519 4.715 50 10 JJGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1ccc(Cl)cc1 1865693922 RXUCBKIIGCFOAT-NRFANRHFSA-N 450.926 4.519 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865712501 ACLNLVZQDINCDA-XMMPIXPASA-N 482.515 4.973 50 10 JJGE N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 1872727257 KKCXXUAUIVHFFV-HYARGMPZSA-N 452.919 4.696 50 10 JJGE C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 1873794504 MFQLYCIYJSQWQC-DSKMXOTJSA-N 466.365 4.936 50 10 JJGE C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 1873794708 WJJOBVNEBWRGJI-DSKMXOTJSA-N 466.365 4.936 50 10 JJGE Cc1c(Br)csc1C(=O)N[C@H](CCBr)COCc1ccccc1 1902796824 RRXQAZAZHWWWTI-CQSZACIVSA-N 461.219 4.919 50 10 JJGE BrCC1(COCc2ccc(I)c(Br)c2)CC1 1904370396 AENZYGFFFQNDIG-UHFFFAOYSA-N 459.947 4.745 50 10 JJGE BrC[C@H](C1CC1)N(Cc1ccccc1)c1ccc(I)cn1 1915191825 APIAUBXLQIOFQW-MRXNPFEDSA-N 457.153 4.866 50 10 JJGE CC1(CBr)CCN(C(=O)c2cccc(Br)c2Br)CC1 2092331058 PRJHZYGUJJZLQL-UHFFFAOYSA-N 454.000 4.849 50 10 JJGE C[C@@H]1CC[C@@H](CBr)CN1C(=O)c1cccc(Br)c1Br 2092332418 FGJRTQKRTFWZQO-ZJUUUORDSA-N 454.000 4.847 50 10 JJGE CC1(C)C[C@@H](CBr)N(C(=O)c2c(Br)cccc2Br)C1 2094750990 KIXINXASJIHZOZ-VIFPVBQESA-N 454.000 4.847 50 10 JJGE C[C@H](NC(=O)c1cc(Br)ccc1Br)[C@H]1CCC[C@H]1Br 2111557895 KVXYHYIQFLOFQD-MKPLZMMCSA-N 454.000 4.894 50 10 JJGE CN(C[C@H](Br)C1CCCC1)C(=O)c1cc(Cl)ccc1I 2167647337 PQFFXXIHAKXSPJ-ZDUSSCGKSA-N 470.576 4.970 50 10 JJGE Cc1cc(S(=O)(=O)N(C)[C@@H]2CC(C)(C)[C@H]2OCc2ccccc2)sc1CBr 2179825364 GJAFBNHYQMJPFN-APWZRJJASA-N 472.470 4.956 50 10 JJGE CO[C@H]1C[C@H](Oc2c(Br)cc(CBr)cc2Br)C[C@H]1OC 2187172895 SFXQYYGOHHSIPD-CGJHYDBRSA-N 472.999 4.678 50 10 JJGE O=C(NC[C@]12CCC[C@]1(CCl)C2)c1cc(Br)ccc1I 2208039923 NZPWCAXDTBLWLC-HUUCEWRRSA-N 468.560 4.583 50 10 JJGE CC(C)(C)OC(=O)N1CCN(CCCCCCBr)CCN1C(=O)OC(C)(C)C 2210043241 RSEKMOBCBJCGRS-UHFFFAOYSA-N 464.445 4.647 50 10 JJGE Cn1nc(Br)c([C@H](Br)c2sc(Cl)cc2Br)n1 2210970550 QWWAORUKSGVHJL-YFKPBYRVSA-N 450.381 4.539 50 10 JJGE CCN(C(=O)c1cc(I)ccc1Br)[C@H]1CCC[C@H]1Cl 2224412925 YFJMVQCGRFXMJC-OLZOCXBDSA-N 456.549 4.676 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CCCCC[C@H]1CBr 2268359595 UHJKXCWXXSGODX-NSHDSACASA-N 456.549 4.724 50 10 JJGE COC(=O)c1sc(NC=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(C(=O)OC)c1C 2296266116 YQHNQDRYLXJRCT-UHFFFAOYSA-N 484.515 4.638 50 10 JJGE N#CC(=Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2296818195 YABLFVSHSLZIQV-UHFFFAOYSA-N 457.555 4.850 50 10 JJGE BrC[C@@H]1CC=CCN1Cc1ccc(I)c(Br)c1 2306227008 JDTTUWFETKBVOU-NSHDSACASA-N 470.974 4.579 50 10 JJGE C=C(C)c1cccc(C(C)(C)NC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)c1 2314792998 JOBQTOJSLRZDIV-UHFFFAOYSA-N 489.572 4.518 50 10 JJGE CCN(C[C@@](C)(CI)OCc1ccc(C)c(C)n1)C(=O)OC(C)(C)C 2319115665 XVGYQYQSALDBPO-LJQANCHMSA-N 462.372 4.666 50 10 JJGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1cc(Cl)cc(Cl)c1 2320357083 WAPXMJQMFRCIMP-MRXNPFEDSA-N 467.212 4.642 50 10 JJGE COc1cc(C=NNC(=O)Cc2ccc(N)cc2)ccc1OCc1c(Cl)cccc1Cl 2323317863 IBSQPZHIHZUPNS-UHFFFAOYSA-N 458.345 4.856 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1OC 2331242415 ZJZWSXJPOKLLOX-UHFFFAOYSA-N 475.526 4.696 50 10 JJGE Cc1cc(-c2csc(C(C#N)=C(O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)ccc1F 2331322625 VAEXBXBSDMWYQJ-UHFFFAOYSA-N 466.494 4.952 50 10 JJGE FC1(F)CCN(Cc2ccc(Cl)c(I)c2)CC[C@@H]1Br 2337226064 SSLAMRGPWSMEDF-LBPRGKRZSA-N 464.519 4.939 50 10 JJGE COc1ccc(/C=N/NC(=O)c2[nH]c3c([N+](=O)[O-])cc(C)cc3c2-c2ccccc2)cc1OC 3644538 MJCFNNWHBGJMQZ-VULFUBBASA-N 458.474 4.833 50 10 JJGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)c1 14644383 IXTIUKUIPVDTLA-AWEZNQCLSA-N 483.790 4.528 50 10 JJGE CCN1C(=S)N[C@H](c2ccc(NC(=O)C(C)(C)CCl)cc2)C(C(=O)OCC(C)C)=C1C 16609184 HTQXGULEKABMAO-LJQANCHMSA-N 466.047 4.614 50 10 JJGE COc1ccccc1C(=O)NNc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1[N+](=O)[O-] 40658548 ANNFWPPMNQSUBC-UHFFFAOYSA-N 472.461 4.686 50 10 JJGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812029 RKHKKZJROPZDRB-ZSRJEKJFSA-N 475.520 4.885 50 10 JJGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3cccc(C)c3)nc3ccccn3c2=O)cc1 102847943 HXGBUEFBUNLYGH-MNDPQUGUSA-N 466.497 4.740 50 10 JJGE CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@@]21C 200651595 BZFJMQRTSOJYLN-FWJOXNLTSA-N 472.698 4.795 50 10 JJGE in-vitro O=C(Oc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc(CCBr)cc1 207031918 ZBPSTJNSIYRVKH-UHFFFAOYSA-N 460.349 4.644 50 10 JJGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCC)c(OCC)c2)c(OC)c1 207128249 OECNEGYKDIEPBW-CEFCJMCMSA-N 492.572 4.935 50 10 JJGE C[C@H](NC(=O)/C(C#N)=C\NCCc1cccc(Br)c1)c1ccc2c(c1)CCCC2 217204853 WQBSTPBLAMIYMP-DBZAVIBRSA-N 452.396 4.745 50 10 JJGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\N(Cc1ccccc1)C(C)C 217253714 ORGIPLKQLDXDBP-JXAWBTAJSA-N 459.331 4.856 50 10 JJGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\NC12CC3CC(CC(C3)C1)C2 217254221 KJNDIVXPKDBHAT-ATVHPVEESA-N 461.347 4.504 50 10 JJGE Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c1C 263628307 DJTPGIPUNVHYPA-UHFFFAOYSA-N 482.540 4.697 50 10 JJGE Cc1nnsc1CC(CBr)(CBr)c1ccc(Br)cc1 311596178 BPEQNTVYHUPCQT-UHFFFAOYSA-N 469.040 4.879 50 10 JJGE C[C@@H]1CN(c2ncc(C(F)(F)F)cc2I)C[C@@H](C)C1Br 686112980 XIEWHJRSHJVFTO-HTQZYQBOSA-N 463.079 4.561 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)NNC(=O)c2cc(F)ccc2Br)c(C)n1-c1ccc(F)cc1 728545633 ACYQDBJKIDBEEH-YBEGLDIGSA-N 499.315 4.503 50 10 JJGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865691857 CNVGPPFDOGGXRW-QFIPXVFZSA-N 494.979 4.781 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)cc(Br)c1OC(C)C 1865698016 IEBNVKCZJBVPGK-IBGZPJMESA-N 495.377 4.864 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@@H]2COC3(CCCCC3)C2)CC1 1879028710 FXBPCOVERKJFBU-INIZCTEOSA-N 479.399 4.700 50 10 JJGE O=S1(=O)CC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923072760 RLFZYVYYWSCIKB-UCORVYFPSA-N 473.433 4.550 50 10 JJGE O=C(N[C@@H]1CCC[C@H]1CCBr)c1cc(Br)c(Br)s1 2030111102 KMGOJNIWTNBPHR-IONNQARKSA-N 460.029 4.957 50 10 JJGE C[C@@H](Br)C[C@H]1CCCN1C(=O)c1cccc(Br)c1Br 2092339557 FWGYMYKAVMENSD-NXEZZACHSA-N 454.000 4.990 50 10 JJGE O=C(N[C@H]1CC[C@H](CBr)CC1)c1ccc(Br)cc1Br 2118467159 DVIDPDVXFFLIQV-HOMQSWHASA-N 454.000 4.895 50 10 JJGE CC1(C)CCC[C@@]1(CBr)NC(=O)c1cccc(F)c1I 2150546756 HNQQHVMROURJNI-HNNXBMFYSA-N 454.121 4.504 50 10 JJGE Brc1cccc([C@@H](CI)OCCN2CCCCCC2)c1 2175840876 DSMCEEFSPYRFJH-MRXNPFEDSA-N 452.174 4.818 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CC2(CBr)CCC1CC2 2178887712 MGHYJPDNPRRVEZ-UHFFFAOYSA-N 468.560 4.724 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CCC2(CC1)C[C@@H]2CCl 2207264069 AQNMOMGOFVFAGE-SNVBAGLBSA-N 468.560 4.535 50 10 JJGE C[C@]1(CCl)CC(F)(F)CN1C(=O)c1ccc(Br)cc1I 2207269765 WKAIRFJGBLYSKR-GFCCVEGCSA-N 478.502 4.532 50 10 JJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccco2)cc1 2296729414 IEZKZRPJOCMDQS-UHFFFAOYSA-N 450.498 4.920 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(Cl)cc1 2314739062 YLXFERCHOGJDMJ-UHFFFAOYSA-N 494.931 4.930 50 10 JJGE COc1ccc(C=CC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1OC 2321143239 LGMPWPCTCRLQGW-UHFFFAOYSA-N 486.355 4.855 50 10 JJGE COc1ccc(C=C(C#N)C(=O)Nc2ccc3c(c2)C(=O)N(c2c(C)cccc2C)C3=O)cc1OC 2329702799 QGMXTHUNAVDUEI-UHFFFAOYSA-N 481.508 4.667 50 10 JJGE CC[C@@]1(C)[C@@H](Cl)CCN1C(=O)c1ccc(Br)cc1I 2336760157 WURNPKIXHPGWJG-JSGCOSHPSA-N 456.549 4.676 50 10 JJGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1ccc([C@@H]2CCOC2)s1 2364239252 ZQBNDCXMXLKCLY-XCBNKYQSSA-N 485.039 4.995 50 10 JJGE O=C(NCc1cccc(CBr)c1)c1ccc(Cl)cc1I 2365587118 TXZJUVPLIVVEIA-UHFFFAOYSA-N 464.528 4.770 50 10 JJGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(-c2ccccc2)cc1 12581305 MOXOMAURTNNQLI-UHFFFAOYSA-N 456.329 4.840 50 10 JJGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(Cl)cc1Cl 14668148 BAJKWTJCFDZFSX-UHFFFAOYSA-N 474.182 4.893 50 10 JJGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc21 38650020 PSSHRLPFYMOICS-DEOSSOPVSA-N 462.889 4.551 50 10 JJGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812170 ZRYDMWBBUUGESG-OVVQPSECSA-N 476.489 4.536 50 10 JJGE COc1c(C(=O)N/N=C2/C(=O)N(Cc3ccccc3F)c3ccccc32)ccc2ccccc12 59153265 SXEFZIQMDORDEH-RMLRFSFXSA-N 453.473 4.668 50 10 JJGE C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(CCC)cc2)c(OC)c1 98028255 YAXZHNPUIPNDIH-OQKWZONESA-N 462.546 4.621 50 10 JJGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCCCC)cc2)c(OC)c1 103746687 GJGHGRXJKVYSSN-HBKJATORSA-N 460.530 4.702 50 10 JJGE O=[N+]([O-])c1ccccc1OC[C@@H](CCl)S[C@H](CCl)COc1ccccc1[N+](=O)[O-] 108447742 BXHGUOOIGDHIBR-ZIAGYGMSSA-N 461.323 4.909 50 10 JJGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCC[C@@H](CBr)C1 147532213 JTGWTQYOHXNDNQ-QMMMGPOBSA-N 466.022 4.552 50 10 JJGE CCCCCCOc1c(OC)cc(/C=N/NC(=O)c2cc3ccccc3n2C)cc1[N+](=O)[O-] 169926084 XWXCGISHHNABSV-PCLIKHOPSA-N 452.511 4.818 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)ccc1C 206737651 QUWNDPLTQVCIGW-BKUYFWCQSA-N 474.513 4.503 50 10 JJGE CCN(C[C@](C)(CI)OC[C@@H]1C[C@@H]2CCCC[C@@H]2O1)C(=O)OC(C)(C)C 379016885 AIAMXXZVSOQPDB-BOSXTWCSSA-N 481.415 4.801 50 10 JJGE BrCC(CBr)(Cc1cnsn1)c1ccccc1Br 399788794 PBOZVCVGTSECKE-UHFFFAOYSA-N 455.013 4.571 50 10 JJGE CC1(C)C[C@H](Cl)C[C@H](NC(=O)c2cc(Br)ccc2I)C1 693874752 HGKNFBOGGQTFJB-MNOVXSKESA-N 470.576 4.970 50 10 JJGE O=S(=O)(N[C@H]1CCC[C@@H](Br)C1)c1c(Cl)cc(Br)cc1Cl 703646302 KDCFIVVQOZTKOH-APPZFPTMSA-N 466.022 4.740 50 10 JJGE CC(=O)N1CC[C@@H](NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)c2ccccc21 1127177908 VCDLZEHUQIZWKT-QKSFETHESA-N 452.558 4.924 50 10 JJGE C#C[C@H](NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)c1ccc(F)cc1 1624783801 CJEHONNBIOKYJI-YHSGTQGLSA-N 457.896 4.654 50 10 JJGE C[C@@H](C[C@@H](C)Br)NCc1ccc(I)c(Br)c1 1904336985 CBCWFLUUPHBPKT-BDAKNGLRSA-N 460.979 4.705 50 10 JJGE CC1(C)CN(C(=O)c2csc(Br)c2Br)C[C@H]1CBr 1914482954 CYCUDBICPMMTOU-SSDOTTSWSA-N 460.029 4.766 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H](Br)CC2(CC2)C1 1926035258 YIMJGCYNNXGSGV-SSDOTTSWSA-N 458.013 4.663 50 10 JJGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@H](Br)c1c(Br)sc(Br)c1Cl 2054217526 JDCNYNYXKNNCKD-OHKRPGQBSA-N 499.471 4.653 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNc1cc(Br)c(C#N)cc1F 2061267337 BKKUOTKZBMJFAI-UHFFFAOYSA-N 450.399 4.778 50 10 JJGE O=[N+]([O-])c1c(CBr)nn(Cc2ccc(C(F)(F)F)c(F)c2)c1C(F)(F)F 2079260781 OKTPIGZOGFAIQM-UHFFFAOYSA-N 450.108 4.911 50 10 JJGE N#CC(=Cc1ccccc1)C(=O)N1CCN(C(=O)c2cc3ccccc3n2Cc2ccccc2)CC1 2085382198 QMJUXYSXJZLRKR-UHFFFAOYSA-N 474.564 4.581 50 10 JJGE CCN1CCC[C@H]([C@H](Br)c2cc(Br)sc2Br)S1(=O)=O 2089534380 FSIRJQXQYQFJLH-PSASIEDQSA-N 496.084 4.523 50 10 JJGE BrCc1cc(Br)c(OCCc2cccnn2)c(Br)c1 2090028862 RHPCUMKMFQNDSH-UHFFFAOYSA-N 450.956 4.518 50 10 JJGE CSCC[C@@H](Br)CCNC(=O)c1cc(Cl)ccc1I 2090385203 NZOZEYOUQLVZCB-VIFPVBQESA-N 476.605 4.581 50 10 JJGE CC1(C)CCN(C(=O)c2cc(Br)ccc2I)C[C@@H]1CCl 2148666092 MBTFKDXXBIQFKW-JTQLQIEISA-N 470.576 4.781 50 10 JJGE CC[C@@H]1CCOC[C@H]1O[C@](C)(CI)c1ccccc1Br 2152512721 JMVSMVXKLWFAHZ-DAXOMENPSA-N 453.158 4.931 50 10 JJGE C[C@@]1(CCl)CC(F)(F)CN1C(=O)c1ccc(I)c(Br)c1 2159046492 KUAOXAHDRXNPCQ-LBPRGKRZSA-N 478.502 4.532 50 10 JJGE O=S(=O)(c1ccc(CBr)cc1Cl)N1CC2(CC(OCc3ccccc3)C2)C1 2179790180 AGGQJXOCPCTOSY-UHFFFAOYSA-N 470.816 4.605 50 10 JJGE Cc1csc(CBr)c1S(=O)(=O)N1CCCC[C@@H](N(C)Cc2ccccc2)C1 2179814837 IDMOPLOANFXGQX-GOSISDBHSA-N 471.486 4.627 50 10 JJGE Cn1ncc([C@H](Cl)c2c(F)cc(F)c(Br)c2F)c1I 2227802875 KRMUQQCGEJDFCN-VIFPVBQESA-N 465.438 4.533 50 10 JJGE Cn1nc([C@@H](Br)c2c(F)cc(F)c(Br)c2F)cc1Br 2227810744 XXQVNOGPUZEHGI-SNVBAGLBSA-N 462.889 4.847 50 10 JJGE Cc1ccc(C(=O)N2CC[C@@H](Br)[C@@H]2C(C)(C)C)cc1I 2232839194 QXXUMXGTSXJLGT-TZMCWYRMSA-N 450.158 4.624 50 10 JJGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)c(O)cc1O 2256015988 ASHOKOVPVQCGLW-INIZCTEOSA-N 471.189 4.922 50 10 JJGE COc1ccc(C)cc1NC(=O)COc1ccc(C=C(C#N)c2nc3ccccc3[nH]2)cc1OC 2297576837 HHMLWFMETOWNFD-UHFFFAOYSA-N 468.513 4.970 50 10 JJGE CCCc1sc(Br)cc1[C@H](Br)c1nn(C)nc1Br 2316188042 UUOUKSCOYWADLU-VIFPVBQESA-N 458.017 4.838 50 10 JJGE CCCCCCOc1c(OC)cc(C=NNC(=O)c2cc3ccccc3n2C)cc1[N+](=O)[O-] 2323733323 XWXCGISHHNABSV-UHFFFAOYSA-N 452.511 4.818 50 10 JJGE C[C@@H]1CN(Cc2ccc(I)c(Br)c2)CC[C@H]1CBr 2325225463 GCOLUWVVWJYLSI-PWSUYJOCSA-N 487.017 4.907 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccccc4C3=O)n2)c(OC)c1 2331385826 LHXZFWDVHRRKCG-UHFFFAOYSA-N 475.526 4.696 50 10 JJGE Clc1ccc(I)cc1CN1C[C@@H]2CC[C@H](Br)C[C@H]2C1 2352418247 SGMLKTWBDOJMTN-GVXVVHGQSA-N 454.577 4.940 50 10 JJGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)c1OCc1ccccc1Cl 1471925 RLOLVVYSINGAET-NRFANRHFSA-N 463.921 4.533 50 10 JJGE O=C(Oc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc2c(c1)OCO2 3663681 BMRMZFPSTHPLNF-OPEKNORGSA-N 457.269 4.705 50 10 JJGE CCOC(=O)/C(C#N)=C\c1ccc(-c2c(Br)cc([N+](=O)[O-])cc2Br)o1 4510608 HIQFZGUGADYPPX-UITAMQMPSA-N 470.073 4.850 50 10 JJGE COc1ccc(/C(C)=N/NC(=O)COc2ccc3ccccc3c2Br)c(OC)c1 12575919 NOSDPOZHGRLBOJ-ZVHZXABRSA-N 457.324 4.539 50 10 JJGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 14036137 UZLSIXMKKZVKFR-UHFFFAOYSA-N 461.587 4.872 50 10 JJGE Cc1cc(Br)c(NC(=O)COc2ccc(C=NNC(=O)c3ccccc3O)cc2)cc1C 26464582 YBLZSNCAYBQIBO-UHFFFAOYSA-N 496.361 4.553 50 10 JJGE Cc1ccc2nc(C(F)(F)F)cc(N3CCN(/C=C(\C#N)S(=O)(=O)c4cccs4)CC3)c2c1 34367044 POFMDCAFLZNCCS-JQIJEIRASA-N 492.548 4.584 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccn2)CCC3)c(Br)c1 40814346 XPZWWRGEYVGGKF-WPWMEQJKSA-N 481.350 4.777 50 10 JJGE CN1C(=O)CCc2cc([C@@H](Br)c3ccccc3I)ccc21 62807141 BSHWZTYVZKMPDK-QGZVFWFLSA-N 456.121 4.685 50 10 JJGE COc1ccc(/C=C(/C#N)C(=O)Nc2nccs2)cc1COc1c(F)c(F)cc(F)c1F 96438309 QUTODRHGYUFNAH-SDQBBNPISA-N 463.412 4.833 50 10 JJGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1=O 101332974 OGLDKAZYEKTZDR-HZHRSRAPSA-N 481.512 4.840 50 10 JJGE O=S(=O)(NCC1(CBr)CCCC1)c1c(Cl)cc(Br)cc1Cl 160422810 AROBVFHUFVZNET-UHFFFAOYSA-N 480.049 4.990 50 10 JJGE Cc1ccc(CNC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)cc1 210034499 QXKNAHIDWAERNT-XKZIYDEJSA-N 462.509 4.800 50 10 JJGE CCOc1cc(/C=C2\C(=O)N(CCCOC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214294415 ZXIJSJGBAXOXRU-HAHDFKILSA-N 474.557 4.602 50 10 JJGE O=C(NN=Cc1cc(Cc2ccccc2)cc(C=NNC(=O)c2ccccc2)c1O)c1ccccc1 252621102 MSZZRZWDRJEECZ-UHFFFAOYSA-N 476.536 4.511 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCCCc2ccccc2)C1 301907872 NSTSHVUTSIJYHB-HXUWFJFHSA-N 459.368 4.841 50 10 JJGE CC1(C)CN(C(=O)c2cc(Br)c(Br)s2)CC[C@@H]1Br 310701026 WQGNYDHMMSRJLC-VIFPVBQESA-N 460.029 4.909 50 10 JJGE C[C@H](Cl)c1nc2cc(I)ccc2n1C[C@@H]1CN(Cc2ccccc2)CCO1 312630808 MJOVXGMNVWOHNO-YJBOKZPZSA-N 495.792 4.842 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N(CCCl)Cc2ccccc2)cc1Br 381635412 VHJWZMHNEBZCOG-UHFFFAOYSA-N 481.637 4.950 50 10 JJGE CCN(C[C@](C)(CI)OC(C(F)(F)F)C(F)(F)F)C(=O)OC(C)(C)C 384704737 JDULKNVBGFTBBQ-LBPRGKRZSA-N 493.226 4.947 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)NC[C@H](C)C[C@H](C)Br)cc1Br 398609040 XXMADSWKNMXYBQ-SCZZXKLOSA-N 492.071 4.608 50 10 JJGE N#CSc1ccc(NC(=O)Nc2cccc(C(=O)N3CCN(c4ccccc4)CC3)c2)cc1 586717998 RNEWIEKWAGXVSM-UHFFFAOYSA-N 457.559 4.866 50 10 JJGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3c(Br)cnn3C)c2O1 720045521 URQXOCRKNGBCFO-MADCSZMMSA-N 464.983 4.753 50 10 JJGE BrCC(CBr)(CCO[C@@H]1CCOC1)c1ccccc1Br 724986286 PWJNERYJWMVPHH-GFCCVEGCSA-N 471.027 4.672 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc(F)c1 1083978074 SQZMEKYNSSOKQX-XQNSMLJCSA-N 471.532 4.669 50 10 JJGE O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NN=Cc1ccc(Br)cc1 1084640550 HBLGBSWLAQTHEZ-UHFFFAOYSA-N 462.247 4.619 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865706622 AXMZMTNLXZOAJC-JOCHJYFZSA-N 482.943 4.912 50 10 JJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc1 1865709325 UOEDJMXGVZGGFV-XMMPIXPASA-N 492.535 4.861 50 10 JJGE Cc1cccc(C)c1OCCCC(=O)NNC(=O)c1ccc(-c2ccc(F)cc2F)nc1C 1865759939 ZMEMCYKODZPFMO-UHFFFAOYSA-N 453.489 4.572 50 10 JJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Cl)c2)sc(C(=O)OC(C)C)c1C 1866129603 AUKOYFJDMJZFPF-OQLLNIDSSA-N 460.939 4.998 50 10 JJGE N#C/C(=C(/O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2ccc(F)c(F)c2)cs1 1872751654 QZAGOMKQOIOCDV-AQTBWJFISA-N 459.861 4.960 50 10 JJGE CCN(C[C@@](C)(CI)OC(C)(C)C(F)(F)F)C(=O)OC(C)(C)C 1990087203 LINSXSORXZQTTD-CQSZACIVSA-N 453.283 4.795 50 10 JJGE CC(C)(C)OC(=O)N1CCCc2c1sc(I)c2CBr 2080801572 JODIGHIJUBURKL-UHFFFAOYSA-N 458.159 4.935 50 10 JJGE O=S(=O)(c1ccc(CCl)cc1Br)N(Cc1ccccc1)C[C@@H]1CCCO1 2095878679 BTAVTFFADWXPSA-KRWDZBQOSA-N 458.805 4.558 50 10 JJGE Cc1cc(Br)c([C@H](Br)[C@@H]2CO[C@@H]3COC[C@H]32)cc1Br 2101883584 AESTZIKYALTYFZ-PJQZNRQZSA-N 454.984 4.617 50 10 JJGE CCC(CC)(CBr)CN=[S@@]1(=O)CC[C@@H](CNC(=O)OC(C)(C)C)C1(C)C 2106788639 RJWHWCLNOFQEMY-QWXGXRTQSA-N 453.487 4.979 50 10 JJGE C[C@@H]1CC[C@H](CBr)N(C(=O)c2ccc(Br)cc2Br)C1 2110616822 MZPZLZVJHDLSJW-MWLCHTKSSA-N 454.000 4.847 50 10 JJGE Cc1c(Br)ccc([C@@H](Br)C2CCS(=O)(=O)CC2)c1Br 2138866729 VEMPTZXMQVHAKX-ZDUSSCGKSA-N 475.040 4.781 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H]2CCC[C@H](Br)[C@H]2C1 2150957386 DFQCHMJQOQYMPE-SRVKXCTJSA-N 468.560 4.580 50 10 JJGE O=C(c1cc(I)ccc1Br)N1[C@H](CCl)C[C@H]2CCC[C@@H]21 2164664164 QDTATUMRMWAXQF-PUYPPJJSSA-N 468.560 4.676 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@@](C)(=O)=NC[C@H](CBr)c2ccccc2)C1 2192628663 ZBRBKYQCCQHBRR-KWBRZTTKSA-N 459.450 4.566 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CI)O[C@H]1CCCC[C@@H]1C(F)(F)F 2217091926 SOERIMYHQKARKY-HUBLWGQQSA-N 465.294 4.843 50 10 JJGE CC(=O)c1ccc(-c2ccc(C=NNC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)o2)cc1 2328796783 KWVXZIKMGATHFE-QHCPKHFHSA-N 475.545 4.735 50 10 JJGE COc1cc(CCl)cc(Oc2cc(Br)cc(I)c2)n1 2338712315 LVFMOLOLXWCBDO-UHFFFAOYSA-N 454.489 4.988 50 10 JJGE Brc1ccc([C@H](Br)[C@@H]2COC3(CCC3)CO2)c(Br)c1 2338782605 GPSUFPDQTRGIRT-STQMWFEESA-N 454.984 4.986 50 10 JJGE CC[C@@H](Br)CN(C(=O)c1ccc(Cl)cc1I)C1CC1 2340066754 UNGZDOQTBSQIAJ-SECBINFHSA-N 456.549 4.723 50 10 JJGE ClC[C@H](CC1CCOCC1)NCc1ccc(I)c(Br)c1 2377316887 NHXFCSOWXSFKFC-ZDUSSCGKSA-N 472.592 4.567 50 10 JJGE BrC[C@@H]1N(Cc2ccc(Br)cc2Br)CC12CCOCC2 2381052346 PTUYEAVBOLFPGJ-AWEZNQCLSA-N 468.027 4.588 50 10 JJGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 2888323 DMJDLZHLYSTYBE-VLBGROSNSA-N 481.936 4.815 50 10 JJGE O=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1 13980053 KGTLPRXUDCDVGV-ISLYRVAYSA-N 481.577 4.621 50 10 JJGE COc1ccc(/C=N/NC(=O)CCCSc2nc3ccccc3s2)cc1OCn1cccn1 20291403 BTWAWVRLDGUITA-BUVRLJJBSA-N 481.603 4.561 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@@H]1c1ccccc1F 38652363 ZAXNWRRDTDSHFP-QHCPKHFHSA-N 450.853 4.682 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1OC 38659450 HGVYBMQBMMWBKZ-VWLOTQADSA-N 472.497 4.540 50 10 JJGE O=C(NNc1ncnc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-])c1cccc(Cl)c1 40646585 UXDNMVDOMAQJAX-UHFFFAOYSA-N 453.673 4.846 50 10 JJGE COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc(Br)c1OC 40961581 MUUJJUITURKNLC-KIQCMGJBSA-N 463.372 4.681 50 10 JJGE C[C@H](Sc1ccccn1)C(=O)N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21 59153129 PMUPLKWKBUBUQQ-ATRNVFDJSA-N 466.566 4.783 50 10 JJGE COc1ccc(Cc2nc3cc(C(=O)N/N=C\c4c(C)n(C)c5ccccc45)ccc3[nH]2)cc1 169925627 AJTKMOQPCAGBFN-NTFVMDSBSA-N 451.530 4.726 50 10 JJGE Cc1cccc(C(=O)NCC2(CBr)CCCCC2)c1I 235919470 HPZNVARXDSAVII-UHFFFAOYSA-N 450.158 4.675 50 10 JJGE CCn1c(SCC(=O)NN=Cc2ccc(C(C)(C)C)cc2)nnc1-c1ccc(OC)cc1 254368948 MTWQZJXWZPCLDK-UHFFFAOYSA-N 451.596 4.514 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2cccc(Br)c2O)[C@@H](CBr)C1 382694406 WZXNBIYPWAHDRV-HOCLYGCPSA-N 469.173 4.902 50 10 JJGE CN(CCCCBr)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 384994670 NPORIEHOUYGINU-UHFFFAOYSA-N 454.011 4.552 50 10 JJGE Fc1cnc2c(c1)nc(CCl)n2-c1ccc(I)cc1Br 400295847 PRVUOUAMDBZAPF-UHFFFAOYSA-N 466.479 4.666 50 10 JJGE BrCc1cc(Br)ccc1N1CC[C@]2(CN(Cc3ccccc3)CCO2)C1 717589723 BBEYEIOTGJQRSM-NRFANRHFSA-N 480.244 4.825 50 10 JJGE CCC[C@@H](CCBr)NC(=O)c1ccc(I)c(Br)c1 721595621 WJCBKSVFQSNFBS-JTQLQIEISA-N 488.989 4.737 50 10 JJGE CC(=NNC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 1084599469 YUSCDFMHASEQLI-UHFFFAOYSA-N 494.375 4.868 50 10 JJGE Cc1c(C(=O)NCc2ccccc2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743897 NHLAGFQWCJQGIH-UHFFFAOYSA-N 480.362 4.751 50 10 JJGE COc1ccccc1NC(=O)[C@H](C)Oc1cccnc1NC(=O)Nc1ccc(SC#N)cc1 1858842515 RVTRFBPYFPZFBJ-HNNXBMFYSA-N 463.519 4.713 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1O 1865682131 GVRDBUKJAFMHTF-QHCPKHFHSA-N 468.488 4.670 50 10 JJGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706101 NPRIHKMMUDKHRQ-HXUWFJFHSA-N 467.888 4.803 50 10 JJGE CC[C@@H](C)[C@H](CI)NC(=O)c1cc(Br)c(Cl)s1 2023036006 RXJQCXDDNOPYQR-SVRRBLITSA-N 450.567 4.744 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H]2[C@H](Br)CC[C@H]2C1 2032958603 HZRNEGQLGWCIMS-LKEWCRSYSA-N 458.013 4.519 50 10 JJGE COc1cc(C)c(Br)cc1[C@H](Br)c1cn(C)nc1Br 2116555242 QQIQQBRNTQCQOS-LBPRGKRZSA-N 452.972 4.746 50 10 JJGE CC(C)C[C@@H](CCl)CNC(=O)c1cc(I)ccc1Br 2120748379 RLDBELSBPPXRKR-JTQLQIEISA-N 458.565 4.685 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2184576311 YPMDGVMACWJRMC-YHPBZONMSA-N 466.011 4.990 50 10 JJGE O=C(N[C@H](CCl)[C@@H]1CC=CCC1)c1cc(Br)ccc1I 2196159359 GHRZULWJUAPQTJ-QMTHXVAHSA-N 468.560 4.747 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1cc(Br)ccc1Br 2204563847 OREUQGRGNRGTNF-HUJUBCJISA-N 466.011 4.894 50 10 JJGE CC(C)(C)[C@H](CBr)CNC(=O)c1ccc(Cl)c(I)c1 2268348557 UYVFHTYKSBCALT-SNVBAGLBSA-N 458.565 4.732 50 10 JJGE CC1(C)CCN(C(=O)c2ccc(Cl)c(I)c2)C[C@@H]1CBr 2283653545 HPYZPUJAHKFSCJ-NSHDSACASA-N 470.576 4.828 50 10 JJGE COc1ccc([C@H](Br)[C@H]2OCC[C@H]2C(F)(F)F)cc1I 2285010643 OURDURSJHKEHIU-ZHAHWJHGSA-N 465.047 4.703 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=CNc1cc(C)c(C)cc1Br 2297533535 LWZQNAUSSRZPMB-UHFFFAOYSA-N 450.336 4.771 50 10 JJGE CCOc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)ccc1OS(=O)(=O)c1ccccc1 2313541125 UUDFGHSGZOXHON-UHFFFAOYSA-N 450.472 4.825 50 10 JJGE CCOc1ccc(Br)cc1C=C(C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2313675620 GINCYPULEKYWTA-UHFFFAOYSA-N 450.676 4.955 50 10 JJGE COc1ccc(CCN2C(=O)C(=CNc3ccc(Cl)cc3Cl)C(C)=C(C#N)C2=O)cc1OC 2314578792 BPKZAYXJGDHUFC-UHFFFAOYSA-N 486.355 4.758 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCCOc1cccc(C)c1 2314737079 KVNVBGXPEXVFKG-UHFFFAOYSA-N 484.552 4.992 50 10 JJGE Cc1sc(C)c(S(=O)(=O)N[C@H](CCCl)COCc2ccccc2)c1Br 2320659538 CWZAEBMBEZQFLU-OAHLLOKOSA-N 466.850 4.620 50 10 JJGE Cc1cc(=O)oc2cc(OCC(=O)NN=Cc3ccc(OCc4ccccc4Cl)cc3)ccc12 2328791995 QXGTXKLRZSESOQ-UHFFFAOYSA-N 476.916 4.863 50 10 JJGE CC(C)[C@H](Br)C(C)(C)CN(C)C(=O)c1csc(I)c1 2340353001 DMEAJCITLJDQFX-LBPRGKRZSA-N 458.203 4.870 50 10 JJGE COc1ncc(Br)c(C)c1CO[C@@H]1CCCCC[C@@H]1I 2368200520 WOUICHUUXXMQFG-UONOGXRCSA-N 454.146 4.814 50 10 JJGE COc1ccc(C=NNC(=O)c2ccoc2C)cc1COc1ccc(I)cc1 8453668 JYFTYGIKXMJEKJ-UHFFFAOYSA-N 490.297 4.544 50 10 JJGE CC/C(=N/NC(=O)COc1c(C)cc(Br)cc1Br)c1ccccc1 12483347 VCHZDIUUGSZBKG-PGMHBOJBSA-N 454.162 4.829 50 10 JJGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)c1ccc(C(C)(C)C)c(Br)c1 12492693 MXMIHDIHZRWKJY-UHFFFAOYSA-N 494.817 4.888 50 10 JJGE CC(C)c1ccc(OCC(=O)NNC(=O)/C=C/c2cccc3ccccc23)c(Br)c1 12580478 SVIVLEGWMLMESN-ACCUITESSA-N 467.363 4.965 50 10 JJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3F)c(OCC)c2)C1=O 38606635 CTNDZBAMTUIGSM-PXLXIMEGSA-N 492.547 4.822 50 10 JJGE O=C(NNc1ncnc(NCCC2=CCCCC2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40622238 WHUNSMDASGLGKC-UHFFFAOYSA-N 472.549 4.962 50 10 JJGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)c1C 105283660 RNPQVBIQHSVTLM-QCYAWUEASA-N 459.594 4.680 50 10 JJGE CC(C)Oc1cccc(/C=N\NC(=O)c2cccn(Cc3ccc(Cl)c(Cl)c3)c2=O)c1 169920457 QHATUAFUECYJMF-ZMFRSBBQSA-N 458.345 4.755 50 10 JJGE N#C/C(=C/Nc1c(F)cccc1F)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216496997 NXNWZTVPJGBXQU-QOCHGBHMSA-N 458.512 4.718 50 10 JJGE Cc1ccccc1OCC(=O)NN=C1C(=O)N(CCOc2ccc(C(C)(C)C)cc2)c2ccccc21 245265409 GYTDLRFPWBSZET-UHFFFAOYSA-N 485.584 4.617 50 10 JJGE CCOc1ccc2ccccc2c1C=NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 254495138 IRGHIXCCOOHNGD-UHFFFAOYSA-N 482.565 4.827 50 10 JJGE O=C(NC1CCC(CCl)CC1)c1ccc(I)c(Br)c1 721621784 QOHNLYGSSIVEJC-UHFFFAOYSA-N 456.549 4.581 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2cccc(N3CCCCC3=O)c2)c(-c2ccccc2)n1 914782244 FBAUTBUXUKOMHJ-PGMHBOJBSA-N 464.529 4.526 50 10 JJGE C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OC 1084095410 PKMZSYHFVNGQOQ-MHWRWJLKSA-N 474.298 4.719 50 10 JJGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1cc(Br)ccc1O 1084158643 PFQDIYCWEHIIEV-UHFFFAOYSA-N 495.380 4.695 50 10 JJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(C(C)(C)C)cc2)Cc2ccccc2)cc1 1084438249 JDVVLVUFLQOZIX-UHFFFAOYSA-N 477.630 4.634 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)ccc1OC(=O)c1ccccc1 1865704847 FXEQVFNYJJQXCO-SANMLTNESA-N 492.535 4.686 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1ccccc1O 1865707909 JBDNDLQPRDJQBF-OAHLLOKOSA-N 477.240 4.577 50 10 JJGE CCc1nn(C)c([C@H](Br)Cc2ccncc2Br)c1Br 1877176814 UUUKWALAARXIFS-SECBINFHSA-N 451.988 4.581 50 10 JJGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C[C@H](Br)C1 1888787457 GXFJQDVAAVDPCH-XCGNWRKASA-N 471.395 4.593 50 10 JJGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C[C@](C)(CBr)C(C)(C)C 1904850847 RXEWIJFDOZCDEJ-QFIPXVFZSA-N 494.515 4.785 50 10 JJGE Cc1c(Br)sc([C@H](Br)[C@H]2CCCS(=O)(=O)C2)c1Br 1922929520 JYCCYYKIJYYNJY-IONNQARKSA-N 481.069 4.842 50 10 JJGE CC1CC(CBr)(CNC(=O)c2csc(Br)c2Br)C1 2065460034 KJZDHMMAQLQEBD-UHFFFAOYSA-N 460.029 4.814 50 10 JJGE CC(C)(C)[C@@]1(CBr)CCN(C(=O)c2csc(I)c2)C1 2104653160 FGPVNCBVKPLNGQ-CQSZACIVSA-N 456.187 4.626 50 10 JJGE O=C(N[C@H](CBr)c1cscn1)c1cccc(Br)c1Br 2119040637 SFDKCYWBCHEACP-SECBINFHSA-N 468.996 4.534 50 10 JJGE CC(C)[C@H]1[C@H](Br)CCN1C(=O)c1cc(Br)cc(Br)c1 2126103338 WMUCFXRYDNRHQO-OLZOCXBDSA-N 454.000 4.846 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@@H](Br)[C@H]1C1CC1 2130611538 LZQDVXHIPXKMCW-CHWSQXEVSA-N 451.984 4.600 50 10 JJGE O=C(c1ccc(Br)cc1I)N1C[C@@H](Br)CC12CCC2 2142281302 OOMYHYUGUNZYIK-JTQLQIEISA-N 498.984 4.586 50 10 JJGE CC1(C)COC[C@@H](COc2c(Br)cc(Br)cc2CBr)O1 2145713653 DLQVWQOYNAVMLN-NSHDSACASA-N 472.999 4.679 50 10 JJGE O=C(c1cc(Br)c(Cl)s1)N1C[C@@H](CBr)[C@H](C(F)(F)F)C1 2172566331 GAMQVKGHHSLWTK-PHDIDXHHSA-N 455.521 4.809 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)NC1CCC(Br)CC1 2277936050 KNWNVAUJMRTPOI-UHFFFAOYSA-N 454.000 4.576 50 10 JJGE C[C@@H](Br)CN(CCC(C)(C)C)C(=O)c1ccccc1I 2288076790 VZWLNGNAIMYKKI-GFCCVEGCSA-N 452.174 4.953 50 10 JJGE CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC 2297551691 ZLZPJQUASNRSED-UHFFFAOYSA-N 480.702 4.964 50 10 JJGE Cc1nc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)sc1C 2324607197 RGUNWZFYADILBR-UHFFFAOYSA-N 457.603 4.513 50 10 JJGE BrC[C@@H]1[C@@H]2CCN(Cc3ccc(I)c(Br)c3)C[C@@H]12 2325208309 UYOREKLSZQRUKJ-QJPTWQEYSA-N 485.001 4.517 50 10 JJGE CCO[C@@H]1[C@@H](Br)C[C@@H]1OCc1ccc(I)c(Br)c1 2325365874 OUTVYIJNFJPYAN-WCFLWFBJSA-N 489.973 4.511 50 10 JJGE Cc1ccc(-c2csc(C(C#N)=C(O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 2331313380 IOJMSNBVIZRPKZ-UHFFFAOYSA-N 460.471 4.506 50 10 JJGE Brc1cc(Br)cc(C[C@@H](Br)[C@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1 2335066531 LYKYIAZVMPTKEG-QLKXBERHSA-N 450.996 4.941 50 10 JJGE C[C@@]1(CBr)CC(F)(F)CN1Cc1ccc(Cl)c(I)c1 2337225468 MDSIPKOIJHAVRX-LBPRGKRZSA-N 464.519 4.939 50 10 JJGE CCCO[C@@H]1[C@H](Cl)C[C@H]1OCc1cc(I)ccc1Br 2341838829 SKWMMKOPYHYEIW-MGPQQGTHSA-N 459.549 4.745 50 10 JJGE CC(C)N(CCOCCBr)Cc1cc(I)ccc1Cl 2352418382 UUMIOCCHBXBSGW-UHFFFAOYSA-N 460.581 4.567 50 10 JJGE C=CC[C@@H](Br)[C@@H]1CCN1C(=O)Cc1cc(Br)cc(Br)c1 2360964606 QLYRWJGJKKSREQ-KGLIPLIRSA-N 466.011 4.695 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2O)c(Br)c1 12403422 BDJJOYGBOPVOJN-LSHDLFTRSA-N 484.188 4.744 50 10 JJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 12492038 XJONTQQNEXUDPP-UHFFFAOYSA-N 485.993 4.513 50 10 JJGE CCCOC(=O)c1ccc(OCC(=O)N/N=C/c2ccc3c(c2)c2ccccc2n3CC)cc1 14020962 DCQSAPKXUWQFAS-OGLMXYFKSA-N 457.530 4.910 50 10 JJGE CCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(OC)c2)CCC3)cc1 40822405 PZCDFKBKDOLZTN-SGWCAAJKSA-N 461.518 4.718 50 10 JJGE CC1=C(C(=O)N/N=C/c2ccc(Cl)cc2Cl)[C@@H](c2ccc(Br)cc2)NC(=S)N1 59384236 AYVJFGHCAZYPNL-WFBSDAATSA-N 498.233 4.699 50 10 JJGE CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(=O)NN=Cc3ccccc3OC)cc12 254411569 GHULEKWQYVMISP-UHFFFAOYSA-N 472.497 4.814 50 10 JJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cc(C(C)C)ccc3C)cc2OC)cc1 254419350 HUDBEZSGXNILOX-UHFFFAOYSA-N 490.556 4.884 50 10 JJGE O=C(CSc1nnc(SCc2ccccc2)s1)NN=Cc1c(O)ccc2ccccc12 254821940 RKIMHSYPOZBTQY-UHFFFAOYSA-N 466.613 4.932 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CCC[C@@H](CCl)CC1 381078333 AHIYMLOQKPRBIF-SNVBAGLBSA-N 456.549 4.535 50 10 JJGE CC[C@H](C)[C@H](CO[C@](C)(CI)CN(CC)C(=O)OC(C)(C)C)OC 384794910 XKOXAGKGPAEGEJ-RLFYNMQTSA-N 457.393 4.515 50 10 JJGE COc1ccc(C(=O)NN=Cc2cccc(Oc3ccccc3)c2)cc1I 1084220984 VFWZKHOIRHRDGZ-UHFFFAOYSA-N 472.282 4.856 50 10 JJGE CO[C@H](C(=O)NN=Cc1cc(OCc2ccccc2)ccc1Br)c1ccccc1 1084237746 SYTMCVOVLBPZCV-QFIPXVFZSA-N 453.336 4.866 50 10 JJGE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NNc2ccccc2F)c1 1596801409 QGGZPIZZYHTFCC-UHFFFAOYSA-N 459.930 4.617 50 10 JJGE CCN(CC)c1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)c(O)c1 1614706139 USNKWRPKYPOUCZ-PBHICJAKSA-N 474.383 4.624 50 10 JJGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)cc1 1772751759 YBEXFMKYMVBBIV-UHFFFAOYSA-N 468.513 4.868 50 10 JJGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)c(O)c(OC)c1 1865689579 SWMROPRJGISNRH-SFHVURJKSA-N 481.350 4.655 50 10 JJGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4cccnc4)C3)nc(-c3cccnc3)n2)cc1 1868566147 UZISBHIWMHIPJF-QFIPXVFZSA-N 467.558 4.828 50 10 JJGE Brc1ccc(I)cc1SCCI 1887827897 MOQPYMBGIKVECZ-UHFFFAOYSA-N 468.923 4.581 50 10 JJGE CCC[C@@](C)(CBr)NC(=O)c1cc(Br)ccc1I 2029942910 AMODLZVAMSJLGP-ZDUSSCGKSA-N 488.989 4.737 50 10 JJGE FC(F)(F)CN(CCBr)Cc1cc(Br)ccc1Br 2054722262 PYRBQMGHPKCRMZ-UHFFFAOYSA-N 453.922 4.971 50 10 JJGE Fc1ccc(-n2nc(CCl)c(I)c2C(F)(F)F)nc1C(F)(F)F 2078889555 TUPYOQLEOQRXOI-UHFFFAOYSA-N 473.517 4.787 50 10 JJGE O=C(N[C@@H](CBr)CC(F)(F)F)c1cccc(Br)c1Br 2092329005 QYPBBDRXCWPWRD-ZCFIWIBFSA-N 467.905 4.657 50 10 JJGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@@H]1C[C@H](Br)C2 2098700102 SXFAAPIPNURPHT-GUDFOSOFSA-N 498.984 4.584 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@H](Br)[C@H]2CC[C@H]21 2133721509 CQIDXUSLSWJZCJ-SUZMYJTESA-N 451.984 4.600 50 10 JJGE CCC[C@@H](CCCl)CNC(=O)c1ccc(Br)cc1I 2142285368 OQKMEAIFFCTYPD-JTQLQIEISA-N 458.565 4.829 50 10 JJGE C[C@H](Br)C12CCC(CC1)N2C(=O)c1ccc(I)c(Cl)c1 2153385449 FMCTUWIJWPXABS-IEBVAXJPSA-N 468.560 4.865 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@@H](C(F)(F)F)[C@@H](CBr)C1 2163358462 KPIXFPOKAKUADN-CAHLUQPWSA-N 499.972 4.919 50 10 JJGE Cc1ccccc1C(CBr)(CBr)Cc1cnn(C)c1Br 2173257440 GNPRXVKMYNROML-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE CC1(C)CCCN(C(=O)c2cc(I)ccc2Br)[C@H]1CCl 2185813502 WZVVDJBUSDNWMC-ZDUSSCGKSA-N 470.576 4.923 50 10 JJGE C[C@H](CCCBr)CNC(=O)Cc1cc(Br)cc(Br)c1 2277936579 NSJATKCYRWJWJC-SNVBAGLBSA-N 456.016 4.682 50 10 JJGE COc1ccc([C@H](Br)[C@@H]2OC[C@@H]3CCCC[C@H]32)cc1I 2284998238 QBQOASNEKIKWPZ-SHUKQUCYSA-N 451.142 4.941 50 10 JJGE Cc1noc(NS(=O)(=O)c2ccc(NC=C(C#N)c3nc4ccccc4s3)cc2)c1C 2296765276 IHCYLVOUGHDMMS-UHFFFAOYSA-N 451.533 4.679 50 10 JJGE Brc1cc(CN2C[C@@H](Br)[C@@H](C3CC3)C2)ccc1I 2325207917 SKLUJHWZDQZOBL-DGCLKSJQSA-N 485.001 4.659 50 10 JJGE CCc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 2331245476 QCMAVOKEYOKQPA-UHFFFAOYSA-N 479.558 4.621 50 10 JJGE COc1cc(/C=N\NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1ccccc1Cl 33155033 FOOLWSLFUMUENM-ROTLSHHCSA-N 470.982 4.577 50 10 JJGE N#C/C(=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl)c1nn(CCO)c(N)c1C#N 35167139 RTKROVVUWWBDSQ-CHHVJCJISA-N 488.762 4.933 50 10 JJGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2)cc1 38653111 BNJIFJDUNPQNSJ-IVCQMTBJSA-N 458.489 4.979 50 10 JJGE COc1ccc([C@H](Br)c2ccc(I)cc2)c(OC)c1OC 40289986 RBZQEPCLHGMRQD-CQSZACIVSA-N 463.109 4.801 50 10 JJGE Cc1ccccc1C(=O)NNc1ncnc(Oc2ccc(Br)c3cccnc23)c1[N+](=O)[O-] 40657730 RAVMSMWPACBKIG-UHFFFAOYSA-N 495.293 4.553 50 10 JJGE Cc1cccnc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1Br)CCC2 40812824 MRBJHHNNTRTZPI-WPWMEQJKSA-N 481.350 4.777 50 10 JJGE COc1ccccc1C(=O)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 59146601 WAKAAACQKMURTO-URGPHPNLSA-N 461.521 4.966 50 10 JJGE CC(C)Cc1ccc([C@H](C)C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 66199334 VMWGNIZWESZCQJ-AWEZNQCLSA-N 467.791 4.631 50 10 JJGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C1=O 101334103 FUDSZFMJZIKABQ-WORIPGKHSA-N 466.541 4.939 50 10 JJGE O=S(=O)(Nc1cc(Br)ccc1Br)c1ccc(CBr)cc1 115918452 OFIDNMJKSNJEBB-UHFFFAOYSA-N 484.007 4.907 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1c(C)ccc(C)c1C 206399573 LCCQYVOTRSTIHS-OYKKKHCWSA-N 484.552 4.828 50 10 JJGE Cc1cc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)ccc1F 382682806 DBLKWSLWPQGOJV-ROUUACIJSA-N 453.295 4.921 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c(-c2ccccc2)n1 727393418 AIKGRNFPAYTKPT-VGTKIRILSA-N 489.938 4.763 50 10 JJGE COc1ccccc1OCC(=O)NN=Cc1c(Br)c(C)n(-c2ccccc2C)c1C 1084429344 HJAPNANFWOVVOA-UHFFFAOYSA-N 470.367 4.703 50 10 JJGE O=C(CCCC(=O)Nc1ccc(Br)cc1)NN=Cc1c(O)ccc2ccccc12 1084605640 OPCZICHBWKVXRE-UHFFFAOYSA-N 454.324 4.567 50 10 JJGE CC(=O)c1ccc(Nc2ccccc2C(=O)NNc2nc(-c3ccccn3)nc(C)c2C)cc1 1641289158 JDQJVJWTDJKYKB-UHFFFAOYSA-N 452.518 4.859 50 10 JJGE CCCCCCC(=O)NN=Cc1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c(OCC)c1 1772720723 WXKITQJHIVNNNK-UHFFFAOYSA-N 486.565 4.751 50 10 JJGE COc1cc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)cc(OC)c1OC 1872818369 ZDBGUIPKBGZXBB-VLGSPTGOSA-N 485.949 4.712 50 10 JJGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(-c2ccccc2Cl)o1 1873793826 YOZXKBYEHYMRQQ-WQGFDPGOSA-N 451.976 4.697 50 10 JJGE CCNCc1cc(Br)cc(Br)c1OCC1CC(Br)C1 1887833160 OKDNXAPCMXBJCV-UHFFFAOYSA-N 456.016 4.873 50 10 JJGE CC1(C)CN(C(=O)c2cc(Br)c(Br)s2)C[C@@H]1CBr 1914528775 LDUQUGYWUKPLLJ-ZETCQYMHSA-N 460.029 4.766 50 10 JJGE CC1(C)CC[C@H](Br)[C@H](CNC(=O)c2ccc(I)cc2)C1 1927048470 FHXMSZOLASMNJA-JSGCOSHPSA-N 450.158 4.611 50 10 JJGE COc1ccc(Br)cc1C=C(C#N)C(=O)Nc1ccccc1I 2053623418 XAAMKNLMNIKZLQ-UHFFFAOYSA-N 483.103 4.608 50 10 JJGE CC1(C)[C@@H](Br)CC[C@@H]1NC(=O)c1csc(Br)c1Br 2086026636 SCZGKDGXXQZMSA-YUMQZZPRSA-N 460.029 4.955 50 10 JJGE O=C(NC[C@@]1(CBr)CC12CCC2)c1scc(Br)c1Br 2097900676 POWBGKRFMYEFQH-ZDUSSCGKSA-N 472.040 4.958 50 10 JJGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cn(C)nc1Br 2116555241 QQIQQBRNTQCQOS-GFCCVEGCSA-N 452.972 4.746 50 10 JJGE CC(C)[C@@H](Br)c1cn(Cc2cc(Br)ccc2Br)nn1 2121065623 GEAQWOVNPHSICE-CYBMUJFWSA-N 451.988 4.943 50 10 JJGE C[C@@H](NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C(C)(C)CBr 2146705374 WRCSBFOIUPSPOG-SSDOTTSWSA-N 468.038 4.844 50 10 JJGE O=C(c1sccc1I)N1CCC[C@@]2(CBr)CCCC[C@@H]12 2165295097 XDKNAOPCCFYCDD-IUODEOHRSA-N 468.198 4.913 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CC[C@H](Br)CC12CCC2 2169888036 NVHWPWYDOWATND-JTQLQIEISA-N 468.560 4.867 50 10 JJGE C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(CBr)c(Cl)c1 2179790678 HRUOPLUQJMIMOK-INIZCTEOSA-N 471.848 4.520 50 10 JJGE C[C@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2Cl)CCN1Cc1ccccc1 2179794169 DAKYGTPMCLMOAB-INIZCTEOSA-N 471.848 4.520 50 10 JJGE CN([C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccccc1CBr 2179812182 PFTCRHJKZNBBJP-UYAOXDASSA-N 452.414 4.586 50 10 JJGE C[C@H](c1cc(Br)cs1)N(C)S(=O)(=O)c1ccc(CBr)s1 2186574110 TUJHJUIJQYDTRX-MRVPVSSYSA-N 459.250 4.849 50 10 JJGE O=C(O)C=Cc1cc(Br)cc(Br)c1OC[C@H]1C[C@@H](Br)C1 2196931003 AKHSYOXOFSDUPA-WAAGHKOSSA-N 468.967 4.862 50 10 JJGE Cc1oc(C)c(S(=O)(=O)N2CC[C@]2(C)CCOCc2ccccc2)c1CBr 2197752516 KQPVJSSZQUSLNB-HXUWFJFHSA-N 456.402 4.551 50 10 JJGE COc1cc(F)c([C@H](Br)c2nn(C)c(Br)c2C)cc1Br 2202901916 JPIUEQFLYZXBDB-NSHDSACASA-N 470.962 4.886 50 10 JJGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2CCC[C@@]2(CCl)C1 2207269532 SWIWKGLVCZVKQN-ZUZCIYMTSA-N 468.560 4.535 50 10 JJGE C[C@@H]1C[C@@H](Br)[C@@H](C)N(C(=O)c2cc(Br)cc(Br)c2)C1 2227593293 CLLLBBJUYFMXRZ-JRKPZEMJSA-N 454.000 4.846 50 10 JJGE CC1CC(CBr)(CN(OCc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)C1 2241341838 JNESDEIPLJNUEK-UHFFFAOYSA-N 453.421 4.851 50 10 JJGE COc1ccccc1C=CC=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 2293426893 UAZAQTCARYPPBG-UHFFFAOYSA-N 469.570 4.850 50 10 JJGE CCc1ccc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)cc1 2296908026 VPYYQAMXJTVRCK-UHFFFAOYSA-N 474.992 4.890 50 10 JJGE CC[C@]1(C)[C@@H](Br)CCN1c1ncc(I)cc1Br 2300038953 NAXDDNQOSAOVIZ-CMPLNLGQSA-N 473.978 4.591 50 10 JJGE BrCc1cccnc1OCc1ccc(I)c(Br)c1 2325376195 HVJVFIMEUNUPNJ-UHFFFAOYSA-N 482.941 4.923 50 10 JJGE FC1(F)C[C@]1(CBr)COCc1ccc(I)c(Br)c1 2326819724 KNIIPJVVCYKRRS-NSHDSACASA-N 495.927 4.991 50 10 JJGE CC(C)(C)[C@H](CCBr)NC(=O)c1ccc(Cl)cc1I 2340059027 UPNAMLDIIWBKCT-LBPRGKRZSA-N 458.565 4.874 50 10 JJGE Fc1cncc(OCc2ccc(Cl)cc2I)c1CBr 2340111475 BOJCHZDGEBOWBB-UHFFFAOYSA-N 456.480 4.953 50 10 JJGE CCCn1nc(Br)nc1C[C@H](Br)c1ccc(Br)cc1 2353739264 HAXHENUPRKZPNH-NSHDSACASA-N 451.988 4.892 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@H]2CC[C@H](Br)[C@@H]1C2 2355761589 XJAJVNHNDHNPAK-CDMKHQONSA-N 466.011 4.990 50 10 JJGE Cc1cccc(C(=O)N(C[C@H](C)Br)C2CCCC2)c1I 2368848448 YDIJXCJJWWIZHY-LBPRGKRZSA-N 450.158 4.768 50 10 JJGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1ccccc1O 12491320 SHVDFJPZDQWPNV-LSHDLFTRSA-N 478.140 4.600 50 10 JJGE COc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3)cc2)cc1I 14017067 DFLBJMIGAPUIJE-OEAKJJBVSA-N 456.283 4.731 50 10 JJGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)/C=C\c2cccc3ccccc23)cc1 33565512 ZNFKPPVLHQFCIE-QINSGFPZSA-N 461.587 4.614 50 10 JJGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)cc1 38678476 WINMDDYDVHRIJT-QFIPXVFZSA-N 477.314 4.895 50 10 JJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1 38683630 IWNYHELYNYPMPV-JOCHJYFZSA-N 460.873 4.564 50 10 JJGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 39850259 QANMGQICBRDMEP-HZHRSRAPSA-N 469.522 4.649 50 10 JJGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cc(C)ccc4OC)c(C)c32)cc1 40813805 DZGSPQODHXPKRR-TURZUDJPSA-N 461.518 4.636 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3F)cc2)cc1 58893321 SMQZISYDEULJEU-PFQJNYNCSA-N 450.510 4.767 50 10 JJGE CC1=C(C(=O)N/N=C/c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)NC(=S)N1 59384217 OUHGNMCBTCFYDB-OYCFWJGQSA-N 453.782 4.590 50 10 JJGE COc1ccc([C@H](C(=O)NC2CCCCCC2)N(Cc2ccccc2OC)C(=O)CCl)cc1 97915019 IJXYMMRCNNXDKG-RUZDIDTESA-N 473.013 4.852 50 10 JJGE CC[C@](C)(CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 136573578 FXBYRGFPNIAKEM-LLVKDONJSA-N 454.011 4.598 50 10 JJGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(C(C)C)c(C)c2)c(OC)c1 206409494 OFYCZQWVXHKPRM-MOSHPQCFSA-N 450.535 4.545 50 10 JJGE C[C@@H]1CCC[C@@](CCl)(NC(=O)c2cc(Br)ccc2I)C1 235297063 ADRLXQAFZRHZNB-MEBBXXQBSA-N 470.576 4.971 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(F)cc3)cc2OCC)cc1 254573263 OENSVQFZUSNLFE-UHFFFAOYSA-N 450.466 4.606 50 10 JJGE COc1cccc(F)c1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382684065 GBDFXGIFLVWAOF-HZPDHXFCSA-N 469.294 4.622 50 10 JJGE BrCC(CBr)(Cc1cnsn1)c1cccc(Br)c1 399776572 IPPGEXGEMXKQDU-UHFFFAOYSA-N 455.013 4.571 50 10 JJGE O=C(NC[C@H](Cl)c1ccccc1)c1ccc(I)c(Br)c1 721570714 AUHLDXHYHLOSRV-ZDUSSCGKSA-N 464.528 4.764 50 10 JJGE CN(Cc1cc(Br)ccc1F)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 914488746 CVQGMZLXCHZFBK-LDADJPATSA-N 492.352 4.931 50 10 JJGE CCCCCOc1ccccc1C(=O)NN=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 1083971316 VEPQXDZXSYJHIS-UHFFFAOYSA-N 486.528 4.845 50 10 JJGE O=C(NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1cccc([N+](=O)[O-])c1 1084414966 OUJSTXHRCUPOAE-UHFFFAOYSA-N 469.284 4.583 50 10 JJGE CC1(C)[C@H]2CC[C@]1(C)/C(=N\NC(=O)CSc1nnc(-c3cccs3)n1C[C@H]1CCCO1)C2 1087347252 XEPAFSALVAQURP-OTRJGRMJSA-N 473.668 4.596 50 10 JJGE CCCCCN1C(=O)C(=NNC(=O)COc2cccc(Cl)c2)c2cc(Br)ccc21 1772752453 OGCRZZLNJXLATJ-UHFFFAOYSA-N 478.774 4.539 50 10 JJGE COc1cccc(O[C@@H](C)C(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)c1 1772755853 HDPLGRDRCKNZNO-KRWDZBQOSA-N 483.362 4.954 50 10 JJGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1c(OC)ccc2ccccc12 1865688333 PMJHFOCDIFNKEE-QHCPKHFHSA-N 452.514 4.959 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)cc(Br)c1O 1865688413 RITWFCURILJNOG-HXUWFJFHSA-N 495.377 4.579 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)ccc1OC(C)C 1865695277 BBEIIFSBECJJRU-JOCHJYFZSA-N 495.377 4.957 50 10 JJGE CCCC[C@H](NC(=O)c1cc(-c2ccc(F)c(F)c2)[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867091463 CVZPJQHYIAWAPO-IBGZPJMESA-N 469.517 4.855 50 10 JJGE O=S(=O)(c1cc(CBr)oc1Br)N(Cc1ccccc1)CC1CCC1 2009622605 SKOPJTGVYNRKTR-UHFFFAOYSA-N 477.218 4.928 50 10 JJGE C[C@H](Br)C1CCN(C(=O)c2csc(Br)c2Br)CC1 2032953330 HLUXLSBYUOXXAU-ZETCQYMHSA-N 460.029 4.909 50 10 JJGE FC(F)C(F)(F)C[C@@H](Br)c1cc(I)cc2c1OCC2 2110365919 USXIBPIVKACMKP-SECBINFHSA-N 453.011 4.953 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](CCl)C12CCC2 2190356580 XOZZZXPRJVUCDG-LLVKDONJSA-N 468.560 4.677 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](Cl)CC12CCC2 2207274163 ZFVCFQXPBWDHKJ-LLVKDONJSA-N 468.560 4.820 50 10 JJGE ClC[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncc(I)cc1Br 2231988949 WROMBGQCAAZKSE-GAFUQQFSSA-N 455.565 4.825 50 10 JJGE Cc1ccc(I)c(C(=O)N2CCCC[C@@H]2[C@H](C)CBr)c1 2240924101 JZUGQWLAMQRQHX-IUODEOHRSA-N 450.158 4.625 50 10 JJGE CCC(CC)[C@H](Br)CNC(=O)c1ccc(Cl)c(I)c1 2268359207 PYTIKYAPCDXAKJ-LLVKDONJSA-N 458.565 4.874 50 10 JJGE COc1ccc([C@H](Br)c2c(F)cccc2I)cc1OC 2282785543 VNEMNVHIMQDCRB-HNNXBMFYSA-N 451.073 4.932 50 10 JJGE CCC[C@@H]1CN(C(=O)c2ccc(Cl)c(I)c2)C[C@H]1CBr 2283667637 VPIKDRNPEPJLKS-VXGBXAGGSA-N 470.576 4.828 50 10 JJGE CSCC[C@@H](Br)CCNC(=O)Cc1cc(Br)cc(Br)c1 2295307644 MPCWODHRWFMGEA-NSHDSACASA-N 488.083 4.777 50 10 JJGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCc2ccccc2)ccc1Cl 2296720229 BFLFWWZRFUAQMP-UHFFFAOYSA-N 484.943 4.980 50 10 JJGE COc1ccc(C=C(C#N)C(=O)N=C2N=C3C=CC(Br)=CN3Cc3ccccc32)cc1 2297397906 ROBKIEPIALALFX-UHFFFAOYSA-N 473.330 4.596 50 10 JJGE O=C(c1csc(Br)c1Br)N1[C@H]2CC[C@H](C2)[C@H]1CBr 2310102258 WUYXACYDWDQOMF-BKPPORCPSA-N 458.013 4.661 50 10 JJGE O=C(C=Cc1cccc2ccccc12)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 2313752851 QKBYZBDWSJAGPX-UHFFFAOYSA-N 481.577 4.768 50 10 JJGE COc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3Cl)nc3ccccn3c2=O)c1 2314532556 KZNVEDGDRBIFKU-UHFFFAOYSA-N 472.888 4.694 50 10 JJGE CCCc1nc(Br)c(Br)n1C[C@]1(CBr)CC1(F)F 2326881962 HGRLMXYQLFRGKR-SNVBAGLBSA-N 450.947 4.781 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OC)c1OCc1cccc(C)c1 2328821137 NSHYUSVKPSQWMD-CVDCTZTESA-N 483.609 4.972 50 10 JJGE Cc1cc(-c2csc(C(C#N)=C(O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)ccc1F 2331322628 VJRMXQJJKUYRCQ-UHFFFAOYSA-N 478.461 4.645 50 10 JJGE Clc1ccc(CN2C[C@H]3C[C@@H](Br)CC[C@H]3C2)c(I)c1 2341027002 GKWDEOXDVCJYHD-UHTWSYAYSA-N 454.577 4.940 50 10 JJGE COc1nc(OCc2cc(I)ccc2Br)c(CCl)s1 2341779817 LOLMOOCOYYDRJI-UHFFFAOYSA-N 474.545 4.837 50 10 JJGE CC(C)(C)OC(=O)N1CCC([S@](C)(=O)=NC[C@](C)(CBr)C(C)(C)C)CC1 2352109001 AFZVESDVVPHHLX-SIBVEZHUSA-N 453.487 4.931 50 10 JJGE CC1=CC[C@@](C(=O)O)(C(=O)N/N=C/C2=C(O)CC(C)(C)CC2=O)C[C@@H]1c1ccc(Cl)cc1 20035954 RMIBHHGRVDLZEG-ACTYRCSZSA-N 458.942 4.538 50 10 JJGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1c(F)cccc1Cl 38680228 HOHGDLFBMFTOFQ-HSZRJFAPSA-N 464.880 4.990 50 10 JJGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1c(F)cccc1Cl 38680231 HOHGDLFBMFTOFQ-QHCPKHFHSA-N 464.880 4.990 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccccc2OCc2ccc(F)cc2)cc1 58895472 IZJNHWTWWDNLOJ-VNIQIGACSA-N 450.510 4.767 50 10 JJGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)c(Br)c1O 59304241 XUEQYMNXDAAZMX-ZVBGSRNCSA-N 482.128 4.826 50 10 JJGE CCOCCCN(C(=O)CCl)[C@H](C(=O)NC1CCCCCC1)c1ccc(OC(C)C)c(OC)c1 97914907 RSPYIZRKBMMZKP-VWLOTQADSA-N 497.076 4.857 50 10 JJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(C(=O)OC)cc2)sc2c1CC[C@@H](CC)C2 209407223 KVVGWJJYVRCRCR-PWDRBQJJSA-N 466.559 4.772 50 10 JJGE O=C(/C=C\c1ccc(S(=O)(=O)NCc2ccco2)cc1)NN(Cc1ccccc1)c1ccccc1 216748974 SDHUOQDWSQOGOG-SDXDJHTJSA-N 487.581 4.509 50 10 JJGE O=C(NC[C@@H]1CCCC[C@@H]1Cl)c1cc(Br)ccc1I 236029186 PHLXJVIYBCGPHR-CABZTGNLSA-N 456.549 4.581 50 10 JJGE CCOc1cc(C=NNC(=O)COc2c(C)ccc(C)c2C)ccc1OC(=O)c1ccccc1 254594326 BNBBIOFPTMMFRR-UHFFFAOYSA-N 460.530 4.759 50 10 JJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cc(C)ccc3C(C)C)cc2)cc1OC 254794534 CXTHNMWLZRIDTI-UHFFFAOYSA-N 490.556 4.884 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CCCC[C@H](CBr)C1 696787451 WXJBECMYOYLLQF-SNVBAGLBSA-N 454.000 4.849 50 10 JJGE CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 1083899285 USAFRELVVYMBAP-UFFVCSGVSA-N 457.486 4.599 50 10 JJGE CC(=NNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 1084472093 HXDOYMJQMLTGCA-UHFFFAOYSA-N 463.603 4.720 50 10 JJGE C/C(=C\c1c(Cl)cccc1Cl)C(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 1596867096 UKMQENHJKUQQRP-MDZDMXLPSA-N 453.269 4.834 50 10 JJGE C=C(CC)CNC(=O)NNc1c(Br)cc(Br)cc1Br 1681980181 IEFJFSQGOLBRDR-UHFFFAOYSA-N 455.976 4.566 50 10 JJGE CCOC(=O)c1cnn(-c2cccc(Cl)c2)c1NC(=O)/C(C#N)=C/c1cccc(Cl)c1 1866130809 NWHSMGLTXNRSLL-OQLLNIDSSA-N 455.301 4.901 50 10 JJGE O=S1(=O)CC[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924583923 QQCVKBUHSZGLIA-FFWSUHOLSA-N 487.460 4.750 50 10 JJGE Brc1cc(I)cnc1N1[C@H]2CCC[C@H]1CC(Br)C2 2069534685 YPEWLTXZCDHXCO-QWRGUYRKSA-N 485.989 4.734 50 10 JJGE COC[C@]12C[C@]([C@@H](Br)c3sc(Br)cc3Br)(CO1)C2 2085225340 BRRBDLWCMXXCRX-SRVKXCTJSA-N 461.013 4.905 50 10 JJGE O=C(c1scc(Br)c1Br)N1CCC2(CC1)C[C@@H]2CBr 2092483075 AHAAWSWGXISTGW-MRVPVSSYSA-N 472.040 4.910 50 10 JJGE CC[C@H]1CN(C(=O)c2c(Br)cccc2Br)C[C@H]1CBr 2140789985 VMJSEOZTKCMDSY-VHSXEESVSA-N 454.000 4.705 50 10 JJGE CN(C[C@H](Br)C1CCCCC1)C(=O)c1ccccc1I 2167654713 ZNIONTRMSSFJJJ-AWEZNQCLSA-N 450.158 4.707 50 10 JJGE CC(C)(CC(CBr)(CBr)c1ccccc1Br)S(C)(=O)=O 2167893403 BPWMVKZHJIZVTI-UHFFFAOYSA-N 491.083 4.690 50 10 JJGE Cn1nc(Br)c([C@H](Br)c2cc(Br)c(Cl)s2)n1 2210977055 CVISHMHNZWOCSJ-RXMQYKEDSA-N 450.381 4.539 50 10 JJGE C[C@@H](Cl)c1nc2cc(Br)cnc2n1C[C@H]1CC1(Br)Br 2224803880 IKIIEKXBTUZHJU-RNFRBKRXSA-N 472.406 5.000 50 10 JJGE CCN(C[C@@](C)(CBr)O[C@H]1CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2242051982 ZMBMIFOGKUGTOK-SIKLNZKXSA-N 455.437 4.688 50 10 JJGE CCn1cc(Br)c([C@H](Cl)c2ccc(OC)c(I)c2)n1 2269555416 WNOAFDYACHLTJO-GFCCVEGCSA-N 455.521 4.607 50 10 JJGE COc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCCc3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 2296837195 OEDNAHUVGQSQNH-AREMUKBSSA-N 497.620 4.789 50 10 JJGE Cc1ccc(C(=O)N[C@H](CCCl)COCc2ccccc2)cc1I 2303699036 GDIYXBAMLHOFBY-QGZVFWFLSA-N 457.739 4.544 50 10 JJGE C[C@H](Br)[C@H](NCc1ccc(Cl)cc1I)C(F)(F)F 2318524416 NPLWRQATHURLHG-WKEGUHRASA-N 456.471 4.749 50 10 JJGE CC(C)(C)OC(=O)N1CCC(NC=C(C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 2325141687 FEVMUKZJEPYYCL-UHFFFAOYSA-N 462.550 4.814 50 10 JJGE FC(F)(F)CN(CCCl)Cc1ccc(I)c(Br)c1 2325210758 BFSLGRHHWZVJQO-UHFFFAOYSA-N 456.471 4.657 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1[C@H]2CC[C@@H]1[C@H](CBr)C2 2329070523 BLJRMHGVPWIEHH-GMOODISLSA-N 451.984 4.600 50 10 JJGE Cc1cccc(CNCC(F)(F)C(F)(F)CI)c1Br 2336533497 FFCLQXUQCLSYNO-UHFFFAOYSA-N 454.043 4.553 50 10 JJGE COC[C@H](C)OC[C@@H](Br)CCc1ccc(Cl)c(I)c1 2337219450 SPBHEUZJDKWZQP-JQWIXIFHSA-N 461.565 4.692 50 10 JJGE CCC(CC)[C@H](Br)CNC(=O)c1ccc(Cl)cc1I 2340054158 JTRXUCCUBOPUSV-GFCCVEGCSA-N 458.565 4.874 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1[C@H]2CC[C@@H]1[C@@H](CBr)C2 2360165945 AYWQCWGUOSDDMJ-DDTOSNHZSA-N 466.011 4.529 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1C[C@H](S(C)(=O)=O)C1 2365228575 QRWCOKVDFPRZFH-SOCHQFKDSA-N 493.030 4.918 50 10 JJGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)NCc3ccccc3)N(c3ccc(F)cc3)C2=O)cc1 1888753 OKAMDHVBRFLIOG-GUNDDFSMSA-N 471.557 4.877 50 10 JJGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1sc2ccccc2c1Cl 13980522 FGVKYHYYQNTIQJ-ZDUSSCGKSA-N 476.023 4.783 50 10 JJGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc([C@H](C)CC)cc1 14652800 ZQNTYUQQJANKCG-OAHLLOKOSA-N 463.372 4.591 50 10 JJGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 14668099 JLTCTOPMSSAUJC-HNNXBMFYSA-N 471.351 4.618 50 10 JJGE COc1ccc(OC)c(/C=C(/C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)c1 33398821 JWLWFDWRYKRECH-CHHVJCJISA-N 461.455 4.906 50 10 JJGE N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(Cl)c2Cl)[C@H]2CN(Cc3ccccc3)CC=C12 35896878 OEUREKILIVGCPE-UNMCSNQZSA-N 460.368 4.919 50 10 JJGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2OC)c1 38657108 CCEQSYILBPRPLO-RUZDIDTESA-N 472.497 4.540 50 10 JJGE CCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc1 40814564 WHOFTZCGOYGEGO-SGWCAAJKSA-N 474.517 4.710 50 10 JJGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NC2CCCC2)cc1 102684503 HRGRPKXVTMAHBV-VLGSPTGOSA-N 456.546 4.750 50 10 JJGE N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(C=NNC(=O)c2ccccc2-n2cccc2)cc1 254505717 QFNNURLHGQGPEN-UHFFFAOYSA-N 451.442 4.813 50 10 JJGE CCc1cccc2c(C=NNC(=O)c3cccc(S(=O)(=O)Nc4ccccc4Cl)c3)c[nH]c12 254565470 DXOBFIGSOKZMEU-UHFFFAOYSA-N 480.977 4.948 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=C/C=C\c3ccccc3)n2-c2ccccc2)cc1OC 254699764 YUVXEGWWCPOHCI-XVJKKGMOSA-N 499.596 4.859 50 10 JJGE O=C(COc1ccc(OCc2ccccc2)cc1)NN=Cc1ccc(OC(F)F)cc1OC(F)F 254703822 REMGBANQOSDUII-UHFFFAOYSA-N 492.425 4.998 50 10 JJGE COc1ccccc1N1CCN(Cc2ccc(C(=O)NN=Cc3ccc(C(C)C)cc3)cc2)CC1 263622495 NEKADCYIVJDCKQ-UHFFFAOYSA-N 470.617 4.905 50 10 JJGE CC(C)(C)N(CCCBr)C(=O)c1cc(Cl)ccc1I 691004146 QBBSXDBMMABYSB-UHFFFAOYSA-N 458.565 4.970 50 10 JJGE CCO[C@@H]1CCC[C@H](O[C@@](C)(CI)CN(CC)C(=O)OC(C)(C)C)C1 721650851 CMGKJKAJTIVHPB-GJYPPUQNSA-N 469.404 4.801 50 10 JJGE CNC(=O)c1cc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1Cl 918649099 BBAKOJDJZGPGGB-BOPFTXTBSA-N 450.901 4.792 50 10 JJGE Cc1cc(C)c(OCC(=O)NN=C2C(=O)N(C/C=C/c3ccccc3)c3ccccc32)c(C)c1 1084340307 NTHBXXPHFLSGNK-YWLRDNAQSA-N 453.542 4.571 50 10 JJGE Cc1ccc([N+](=O)[O-])c([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1 1614636556 JVKIGYNPZJFRSB-FUHWJXTLSA-N 480.302 4.690 50 10 JJGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772750113 UKWDTRAEAWBQPA-UHFFFAOYSA-N 468.513 4.624 50 10 JJGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C(=O)Nc1ccc(SC#N)cc1 1860745613 PHZYUKXSEHSSGE-UHFFFAOYSA-N 481.555 4.751 50 10 JJGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C#N)=C(N)O2 1865680851 XXENKIWJWAQCHZ-LJQANCHMSA-N 457.317 4.761 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)cc1)C(C#N)=C(N)O2 1865683437 DQQXWJDYCOLINZ-LJQANCHMSA-N 451.324 4.511 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865710370 WNBDXKWVEBKYDD-DEOSSOPVSA-N 482.515 4.973 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865710371 WNBDXKWVEBKYDD-XMMPIXPASA-N 482.515 4.973 50 10 JJGE CCc1ccc(-c2ccc(C(=O)N/N=C(\C)c3ccc4c(c3)N(CC)C(=O)CO4)c(C)n2)cc1 1865763371 IXWAFQOVRNVEOT-STBIYBPSSA-N 456.546 4.519 50 10 JJGE CC[C@H](NC(=O)[C@@H](c1ccc(OC)c(OC)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866994167 FBPOSIDUGIZEPQ-SIKLNZKXSA-N 455.580 4.550 50 10 JJGE C[C@@H](c1ccc(I)cc1)[C@H](CBr)NC(=O)OC(C)(C)C 1882088183 PEHPUBDIOSRWGR-GWCFXTLKSA-N 454.146 4.683 50 10 JJGE CCOc1c(Br)cc(CNC[C@H]2C[C@H](Br)C2)cc1Br 1887941831 GBZLMNXBMLTFNS-HOMQSWHASA-N 456.016 4.873 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@@H](Cl)CCc1ccc(Cl)cc1I 1889667044 QBTCICHMVICBEJ-ZDUSSCGKSA-N 474.125 4.781 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 1896582145 KQIVTZTZAMGKDF-JSXRDJHFSA-N 452.686 4.866 50 10 JJGE C[C@H]([C@H](Cl)c1c(Br)sc(Br)c1Br)S(C)(=O)=O 1924580844 VJTZHQVKDXDHCT-CVYQJGLWSA-N 475.449 4.749 50 10 JJGE Fc1cc([C@@H](Br)c2cc(I)sn2)c(F)c(F)c1F 2056495245 BTWDVRZVTUAQDM-SSDOTTSWSA-N 452.008 4.788 50 10 JJGE O=C(N[C@@H]1CC[C@H]2C[C@]21CBr)c1cc(Br)c(Br)s1 2068355848 USHARZKXYMZKKU-RMUHFYJVSA-N 458.013 4.567 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@@H]2CC[C@]2(CBr)C1 2078141755 FKRHJTRSSWCYRX-MADCSZMMSA-N 458.013 4.520 50 10 JJGE C[C@H](n1nc(CBr)c(I)c1C(F)(F)F)C(F)(F)F 2079243455 VZQWBOSBFFUGOW-VKHMYHEASA-N 450.946 4.525 50 10 JJGE CC(C)(C)[C@H](CBr)CNC(=O)c1c(Br)cccc1Br 2094100444 RJOLTMFVWNHMJW-SECBINFHSA-N 456.016 4.999 50 10 JJGE FC(F)(F)[C@H]1CN(c2ncc(Br)cc2Br)C[C@H]1CBr 2106985718 SORXQCQKFDFHMD-SVRRBLITSA-N 466.921 4.616 50 10 JJGE CC1(C)CC[C@@H](Cl)CN1C(=O)c1ccc(Br)cc1I 2142281332 OYWYCPCNGGSJOY-SNVBAGLBSA-N 456.549 4.676 50 10 JJGE O=C(NC[C@H]1CCCC[C@@H](Br)C1)c1cccc(F)c1I 2163751083 LRULOOJZMKQOLQ-WDEREUQCSA-N 454.121 4.504 50 10 JJGE Cc1cc(CBr)ccc1S(=O)(=O)N(Cc1ccccc1)[C@@H]1COC(C)(C)C1 2179775857 PADBOBPRZYYPLY-IBGZPJMESA-N 452.414 4.648 50 10 JJGE Cc1ccsc1CN(C)S(=O)(=O)c1cc(CBr)sc1Br 2179776028 QETMWSFZTJOUPP-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE Cc1cc(C)c(S(=O)(=O)N(C)[C@@H]2CC[C@@H]2OCc2ccccc2)cc1CBr 2179859407 DCCJFPXGFHGMDP-UXHICEINSA-N 452.414 4.567 50 10 JJGE C[C@H](Br)CCCc1cn(Cc2cc(Br)ccc2Br)nn1 2189280832 XGHTWNFCUWOKEO-JTQLQIEISA-N 466.015 4.958 50 10 JJGE Brc1ccc([C@@H](CI)OCC23CCC(CC2)OC3)cc1 2203672792 LQFWYVDRABGDTK-HWOWSKLDSA-N 451.142 4.901 50 10 JJGE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(CCCCCI)CC2 2220212997 BDRUXLUQZOMSJS-KRWDZBQOSA-N 464.432 4.949 50 10 JJGE Cc1ccc(I)c(C(=O)N2CCCC[C@@H]2C[C@H](C)Br)c1 2240913813 NMNWZNIDUFPSBV-QWHCGFSZSA-N 450.158 4.768 50 10 JJGE Cc1ccc(I)c(C(=O)N(C)C2(CBr)CCCCC2)c1 2240925910 RITMUZOMYAPWJD-UHFFFAOYSA-N 450.158 4.769 50 10 JJGE CC(C)(C)OC(=O)Nc1cccc([S@@](C)(=O)=NCCCCI)c1 2243589001 JDLKSRBXJOXUMF-HSZRJFAPSA-N 452.358 4.706 50 10 JJGE O=C(N[C@H](CCBr)C1CCCC1)c1c(F)cccc1I 2282812158 SNUUEJFRILCGEA-CYBMUJFWSA-N 454.121 4.504 50 10 JJGE CC(C)OCCCNC(=O)C(C#N)=Cc1c(Oc2ccc(C(C)(C)C)cc2)nc2ccccn2c1=O 2296543547 LQBICGIPEFHVSD-UHFFFAOYSA-N 488.588 4.623 50 10 JJGE CC(C)(C)c1ccc(C=NNC(=O)C(=Cc2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)cc1 2296826717 IODSNZKTFZJZKL-UHFFFAOYSA-N 470.529 4.814 50 10 JJGE CC(C)n1ncc(Br)c1CN(C)C[C@H](Br)COCc1ccccc1 2303026188 UPKQKKZJHIVNRA-INIZCTEOSA-N 459.226 4.639 50 10 JJGE CC(C)N(CC1CCN(C(=O)OC(C)(C)C)CC1)CC(C)(C)CI 2306819932 YZIKGEPNIREJDT-UHFFFAOYSA-N 452.421 4.805 50 10 JJGE CCCOc1ccc(C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OCC 2314617309 VSZLOALAXPZDCV-UHFFFAOYSA-N 460.530 4.675 50 10 JJGE CCCOc1ccccc1C=C(C#N)C(=O)Oc1ccc(C=C(C#N)C(=O)OCC)cc1OCC 2314773825 DNCKOXLOIFFJHS-UHFFFAOYSA-N 474.513 4.857 50 10 JJGE O=C(N[C@H]1CCCC[C@H]1CBr)c1ccc(Cl)cc1I 2340054795 BLTPTCIORWETOP-ZANVPECISA-N 456.549 4.628 50 10 JJGE COCCn1c(SCC(=O)/C(C#N)=C2\Sc3ccccc3N2C)nnc1-c1cccc(C)c1 12609288 IPNZVZBMVSVFKL-NKFKGCMQSA-N 477.615 4.538 50 10 JJGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/CCc1ccccc1 14015079 ZZLSMLNYTILIQP-ZVBGSRNCSA-N 454.162 4.634 50 10 JJGE COc1ccc(/C=C(\C#N)C(=O)N(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 40971404 HEXBVDVFHCPPLS-CJLVFECKSA-N 460.555 4.950 50 10 JJGE COc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244578 MMBSOQGWJHFMEF-YDYXIROLSA-N 473.529 4.899 50 10 JJGE BrC[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1I 382688964 ORXPPWJQIIRVEM-NVXWUHKLSA-N 456.165 4.902 50 10 JJGE CC(C)[C@](C)(CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 398593963 WGPZFZOPDQHAPA-LBPRGKRZSA-N 468.038 4.844 50 10 JJGE O=C(N[C@@H]1CCCCC[C@@H]1Cl)c1ccc(I)c(Br)c1 721619097 KSHVPZVUIBMYLE-WCQYABFASA-N 456.549 4.724 50 10 JJGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772744165 RCRNIXQTDDYIAV-UHFFFAOYSA-N 461.949 4.910 50 10 JJGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744666 HCLMJYVKTOIYRP-UHFFFAOYSA-N 484.468 4.734 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)ccc1O 1865681403 MPTKCKQRKSIULM-HXUWFJFHSA-N 484.478 4.890 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1OC 1865695139 KZDUVONTICTUAU-VWLOTQADSA-N 452.514 4.959 50 10 JJGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 1865708948 JZECSTWJFBUSLO-HSZRJFAPSA-N 456.546 4.506 50 10 JJGE COc1ccc(CCCN2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(C)n3)CC2)cc1 1868480828 UXVVFVOARZKWHZ-UHFFFAOYSA-N 474.634 4.865 50 10 JJGE COc1cc(C)c([C@H](Br)c2nn(C)cc2Br)cc1Br 1901695160 DCMZYTAGFUVIIM-LBPRGKRZSA-N 452.972 4.746 50 10 JJGE Brc1ccc(Br)c(CNCCCCCI)c1 1982457360 IKNHNTJJNQUWJX-UHFFFAOYSA-N 460.979 4.907 50 10 JJGE Fc1cc(F)cc(Cn2nc(CBr)c(I)c2C(F)(F)F)c1 2079251833 ZSYCCNNJNLRUDJ-UHFFFAOYSA-N 481.000 4.728 50 10 JJGE CN(C(=O)c1cc(Br)ccc1Br)C1(CBr)CCCC1 2113809883 XSCGXAVXQHXWQC-UHFFFAOYSA-N 454.000 4.991 50 10 JJGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@@H]2C[C@H]2CO1 2122885469 ZCFTZRDKEWTDRD-PEXQALLHSA-N 454.984 4.910 50 10 JJGE CCn1ncc(Br)c1[C@@H](Br)c1cc(Br)c2c(c1)CCO2 2150663515 HSDVLFHHYGURCD-LBPRGKRZSA-N 464.983 4.847 50 10 JJGE O=C(c1cc(I)ccc1Br)N1C[C@H](Cl)C2(CCCC2)C1 2174368541 MEJGFRYOCOSGSK-ZDUSSCGKSA-N 468.560 4.677 50 10 JJGE CC1(C)OCCO[C@H]1COc1c(Br)cc(CBr)cc1Br 2186966834 GBWSKGYJTGBGIB-LBPRGKRZSA-N 472.999 4.679 50 10 JJGE O=S1(=O)CCC[C@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)C1 2225615341 GMXNCGXQYZODCM-JVXZTZIISA-N 479.003 4.612 50 10 JJGE CN(C(=O)c1cc(Cl)ccc1I)[C@H](CBr)CC1CC1 2226161740 XLUIVNFGNSJCAE-NSHDSACASA-N 456.549 4.580 50 10 JJGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1Br 2235604445 NRSCHAFGGGDQDI-HFGIQWQSSA-N 487.051 4.555 50 10 JJGE C[C@@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@]1(C)CBr 2295316936 FZXQNIZFPKMBQS-BMIGLBTASA-N 468.027 4.634 50 10 JJGE C[C@@H](NC(=O)C(C#N)=C1N=C(NC(=O)c2ccc(Cl)cc2)c2ccccc21)c1ccccc1 2296532688 GORSOGQLXBOOOA-MRXNPFEDSA-N 454.917 4.642 50 10 JJGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc(C)c1C 2296833291 ULZLHBDBVCIMJU-UHFFFAOYSA-N 451.460 4.865 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Cl)cc2Br)cc1 2314789620 PIQPPNAFLQVLEQ-UHFFFAOYSA-N 491.769 4.910 50 10 JJGE ClC[C@@H](NCc1ccc(I)c(Br)c1)c1cscn1 2325228127 BJMADXGDJBOXHO-LLVKDONJSA-N 457.562 4.580 50 10 JJGE O=C(c1scc(Br)c1Br)N(CCCBr)C1CCOCC1 2381019053 RXGJGUYGEOEDKO-UHFFFAOYSA-N 490.055 4.679 50 10 JJGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14032381 YOYBDVKISBWXOJ-UHFFFAOYSA-N 498.432 4.667 50 10 JJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(OCCc2ccccc2)cc1 14041589 QVWMJVDJZYVNHC-MRXNPFEDSA-N 473.356 4.843 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@H]1c1c(F)cccc1Cl 38680204 IVXMGBPKNHOUGC-JOCHJYFZSA-N 450.853 4.682 50 10 JJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1OC 38680959 UCHAFNDTVRKOGZ-RUZDIDTESA-N 499.479 4.606 50 10 JJGE Cc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2cccc(C)c2C)nc2ccccn2c1=O 39858791 YXMQXBPZDANYJB-HKWRFOASSA-N 450.498 4.958 50 10 JJGE Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c(Oc3ccccc3F)nc12 39993002 GBZGYDWYHBURFD-DTQAZKPQSA-N 458.424 4.619 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccccc1Cl 40925762 BHAWIVLPSRPTLT-SFQUDFHCSA-N 450.878 4.774 50 10 JJGE CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C)c(C)c1 101240741 AHSJNOPEVPSVAM-ODENVGOISA-N 460.386 4.783 50 10 JJGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2cc(C)ccc2C)c(OC)c1 207144197 AHFPFSLLFOBYFQ-JWGURIENSA-N 464.562 4.900 50 10 JJGE O=S(=O)(CCCCCl)Nc1c(Br)cc(Br)cc1Br 228322192 QMENIMYPRFEUFU-UHFFFAOYSA-N 484.435 4.735 50 10 JJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c(O)ccc3ccccc23)c2cccc(C)c2)cc1 254505028 NZJGVIVQCNUAHH-UHFFFAOYSA-N 487.581 4.508 50 10 JJGE COc1cc(C=NNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1OC(=O)c1ccco1 254623850 KTGHFFHUYUDGFM-UHFFFAOYSA-N 475.476 4.818 50 10 JJGE CC(C)[C@](C)(CBr)NC(=O)c1ccc(I)c(Br)c1 721606630 ADOVSLQPETYESH-ZDUSSCGKSA-N 488.989 4.593 50 10 JJGE CCCCCN1C(=O)C(=NNC(=O)CCCCCNC(=O)c2ccccc2Cl)c2cc(C)ccc21 1772720096 CFSNEOFLSHXCIP-UHFFFAOYSA-N 497.039 4.996 50 10 JJGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2)cc1OC 1865697200 PKYTXUGRUNWJDR-FQEVSTJZSA-N 495.377 4.823 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)c1OC 1865700888 HAKGEYPFJXGOFX-INIZCTEOSA-N 476.842 4.780 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)c(OC)c1 1872755315 ICGBSTDCHYYWEF-QOCHGBHMSA-N 475.526 4.782 50 10 JJGE COc1ccc(Br)cc1[C@@H](Br)c1c(Br)c(C)nn1C 1877175149 LBORKWIHJKQOFS-GFCCVEGCSA-N 452.972 4.746 50 10 JJGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C[C@@](C)(CBr)C(C)(C)C 1904850846 RXEWIJFDOZCDEJ-JOCHJYFZSA-N 494.515 4.785 50 10 JJGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccccc1I 1914213020 XAASKEVHONWXEP-ZDUSSCGKSA-N 458.137 4.717 50 10 JJGE CN(CCCOCc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 2009621425 FWGWYASEFDSDLC-UHFFFAOYSA-N 497.274 4.633 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CCC(F)(CBr)CC1 2039794623 KWFKGUWANVOFMM-UHFFFAOYSA-N 463.992 4.612 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1CC[S@](=O)(=NCC2(CBr)CCCC2)C1(C)C 2106789345 XSLSSTNLHIUIGU-PVPMGCCUSA-N 451.471 4.733 50 10 JJGE COC1(CBr)CCN(Cc2cc(Br)ccc2Br)CC1 2118519716 NBADIHBPAWEBTI-UHFFFAOYSA-N 456.016 4.588 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@@H]2C[C@H](Br)CC[C@H]21 2143977619 QGKWYVJYMODHIT-GPCCPHFNSA-N 466.011 4.990 50 10 JJGE CCc1nn(-c2c(F)cc(CBr)cc2F)c(CC)c1I 2150310571 GDNNNLQUHJUVTG-UHFFFAOYSA-N 455.084 4.775 50 10 JJGE O=C(c1cccc(Br)c1Br)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Br)C2 2190687059 YQGALZULWJPUOL-LXOIKGMDSA-N 469.974 4.690 50 10 JJGE CCN(C[C@](C)(CI)OC1CC2(CC(F)C2)C1)C(=O)OC(C)(C)C 2249848576 LKIINOBRQKKSMA-WCNMNQKQSA-N 455.352 4.734 50 10 JJGE CCCN(C[C@@H](C)Br)C(=O)c1cc(Br)ccc1I 2259761187 HMTONSCYSUTJRQ-SECBINFHSA-N 488.989 4.689 50 10 JJGE C=CC[C@H](Br)[C@H]1CCN1C(=O)c1cc(Br)c(Br)s1 2314221752 APRGWDJXYAHXEU-IONNQARKSA-N 458.013 4.827 50 10 JJGE CCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)OCC)cc2OCC)cc1 2314736588 PCUQECLXTKXTEJ-UHFFFAOYSA-N 474.513 4.857 50 10 JJGE Cc1cc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)ccc1C(C)C 2314760642 SUQGDAIVXPTQNK-UHFFFAOYSA-N 458.514 4.919 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C)cc2Br)cc1 2314785130 QOZWCJSUFMUYEQ-UHFFFAOYSA-N 471.351 4.565 50 10 JJGE CCCO[C@@H]1[C@@H](Br)C[C@H]1Oc1cc(Br)cc(I)c1 2316756877 IHLZUZFQWJGUKI-YNEHKIRRSA-N 489.973 4.764 50 10 JJGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NN=Cc1ccc(OCc2ccccc2)cc1 2328827666 WLHILWGFECGXKT-VWLOTQADSA-N 473.573 4.852 50 10 JJGE COc1cc2nc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)c(OC)c3)nc(O)c2cc1OC 2331042582 QAZVQTKHYNHOIY-UHFFFAOYSA-N 483.480 4.645 50 10 JJGE Cc1ccc2nc(N(/N=C/c3ccco3)C(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2c1 9149301 PTLZEZKTNYBFEO-AFUMVMLFSA-N 458.499 4.532 50 10 JJGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1cc(C)ccc1C(C)C 14652752 RWCBUHDKYDUDOT-UHFFFAOYSA-N 463.372 4.510 50 10 JJGE CC(C)COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1Br 14653138 VCLNWFFJUNKPQP-INIZCTEOSA-N 485.378 4.866 50 10 JJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)c(C)c2)c(Br)c1 14832183 KGPLKABMEIXQET-ZDUSSCGKSA-N 483.790 4.530 50 10 JJGE COc1ccc(C)cc1NC(=O)[C@H](OC(=O)/C(C#N)=C\c1ccc2c(c1)OCO2)c1ccccc1 33480065 QPQALJDTIXGDDW-RFAVJAEMSA-N 470.481 4.563 50 10 JJGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)C(c2ccccc2)c2ccccc2)c(OC)c1 33666957 XHKRCEKIDNDZLS-QJOMJCCJSA-N 452.510 4.642 50 10 JJGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)NC1CCCCC1 38205533 LEORZXNSBZBBMU-HMMYKYKNSA-N 454.530 4.666 50 10 JJGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2)cc1 38653119 BNJIFJDUNPQNSJ-PUAOIOHZSA-N 458.489 4.979 50 10 JJGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccccc2C)c(C)c1 39858856 LXOOTOZCWQSFBU-HKWRFOASSA-N 450.498 4.958 50 10 JJGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1Nc1ccc(Cl)c(Cl)c1 40704193 SAAFUFPIYMUWIU-UHFFFAOYSA-N 468.142 4.629 50 10 JJGE CCCCCCCOc1ccc(C(NC(=O)C(Cl)Cl)NC(=O)C(Cl)Cl)cc1OC 100917126 QPYQEVBGXRIZFW-UHFFFAOYSA-N 488.239 4.883 50 10 JJGE O=S(=O)(NCc1cccc(CBr)c1)c1cc(Cl)c(Br)s1 137018587 DSZGQFUAKXGEOM-UHFFFAOYSA-N 459.612 4.537 50 10 JJGE COc1cc(Br)cc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)c1O 169891207 MEJHVCJOGKQGHY-SKBUGYKVSA-N 456.340 4.533 50 10 JJGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC)C(=O)C(C#N)=C2C)c1 214211458 WTNQIBCMYOXQHB-JLPGSUDCSA-N 466.541 4.940 50 10 JJGE O=C(N[C@H]1CCCC[C@@H]1CBr)c1cc(Br)sc1Br 231607900 LBQYFZALSRTQCE-APPZFPTMSA-N 460.029 4.957 50 10 JJGE C=C(CCl)COc1c(I)cc(Cl)cc1I 309001876 ZJHSCTCQJYHTPT-UHFFFAOYSA-N 468.887 4.723 50 10 JJGE ClCCc1nc2ccncc2n1-c1ccc(I)c(Br)c1 312988747 MABKXIOPDHDJSI-UHFFFAOYSA-N 462.516 4.569 50 10 JJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(CCOc2ccccc2)c2ccccc21 1084151362 QQLBIHIUCOBTBP-MRXNPFEDSA-N 498.366 4.707 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccccc2OC(F)(F)F)C1 1614622249 KHLXGTFWTKPADK-DGCLKSJQSA-N 471.257 4.971 50 10 JJGE C=C[C@H](CC(=O)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1ccccc1 1650686352 PNOKKFQVYSHLSN-LJQANCHMSA-N 456.571 4.976 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1O 1865682442 OJQYFBZWDUALAV-KRWDZBQOSA-N 476.842 4.536 50 10 JJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865691865 CRUZTXJFIFKSJI-HXUWFJFHSA-N 471.344 4.977 50 10 JJGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1cc(C)ccc1C 1865694618 ZWMIYWHKXSHHEH-HSZRJFAPSA-N 458.562 4.736 50 10 JJGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2O)cc1 1865696902 TXMQXFVJUGTNND-INIZCTEOSA-N 491.267 4.886 50 10 JJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865712857 JTPGSZODAWJHEA-QHCPKHFHSA-N 495.495 4.683 50 10 JJGE CCCC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(SC#N)cc1 1866878935 YEMWKZBCBLJZGO-YADHBBJMSA-N 495.674 4.912 50 10 JJGE C[C@@H]1CC[C@@](CBr)(NC(=O)c2c(Br)cccc2Br)C1 1880882674 PUIYUBRBJJQZEM-YMTOWFKASA-N 454.000 4.895 50 10 JJGE O=C(c1ccc(I)c(O)c1)N(Cc1ccccc1)[C@H](CCl)C1CC1 1915160079 WKNZOIVCFJXQKE-QGZVFWFLSA-N 455.723 4.657 50 10 JJGE CC1(C)CC[C@@H](Br)[C@@H](CNC(=O)c2cccc(I)c2)C1 1927048434 FFEDWQVPSKKVEZ-TZMCWYRMSA-N 450.158 4.611 50 10 JJGE C[C@H]1C[C@@H](Br)[C@H](C)CN1C(=O)c1scc(Br)c1Br 2032207034 KTUANARECCWQSU-GJMOJQLCSA-N 460.029 4.907 50 10 JJGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(F)cc1F 2057403356 BOGVMFBCSRURGV-ZDUSSCGKSA-N 452.748 4.983 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@@H]2CCC[C@H](C1)C2Br 2111475520 RTIYCKHVFTZOSM-JWHQNHQBSA-N 472.040 4.909 50 10 JJGE CC[C@@H](C)[C@@H](CI)NC(=O)c1cc(Cl)c(C)cc1Br 2136494051 KXVZFLVWMROOJO-AMIZOPFISA-N 458.565 4.990 50 10 JJGE C[C@H]1CC[C@@H](CBr)N(c2ncc(C(F)(F)F)cc2I)C1 2166924489 UTIDYJHOCDMHOO-WPRPVWTQSA-N 463.079 4.705 50 10 JJGE Cc1csc(CBr)c1S(=O)(=O)N(C)Cc1cscc1Br 2179816580 SIFGUFRBRPVKFT-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE C[C@H](CO[C@@](C)(CI)c1ccccc1Br)N1CCCC1 2186729086 NOCVBGNCDTVSGC-CJNGLKHVSA-N 452.174 4.600 50 10 JJGE O=C(c1ccc(F)cc1I)N1CCCC[C@@H]1CCCBr 2206674255 GMTQZOICINPXLB-GFCCVEGCSA-N 454.121 4.600 50 10 JJGE Cc1cc(C(=O)N2CC[C@H](Br)[C@H]2C(C)(C)C)ccc1I 2207095673 GUHIGJFBWGHBFA-JSGCOSHPSA-N 450.158 4.624 50 10 JJGE CS(=O)(=O)[C@H]1C[C@H]([C@@H](Br)c2cc(Br)c(Br)s2)C1 2248993975 JHCHDKWXBKEWOR-HCVRKRLWSA-N 467.042 4.532 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](OCc2c(F)cc(Br)cc2F)[C@H](Br)C1 2250054343 FDWMOQCGUQIXLL-RISCZKNCSA-N 471.136 4.627 50 10 JJGE O=C(N[C@H]1CCCC[C@@H]1CBr)c1ccc(Cl)c(I)c1 2268351044 VASZOXIDALCEBG-MFKMUULPSA-N 456.549 4.628 50 10 JJGE C[C@H](Cl)CN(C(=O)c1cc(I)ccc1Br)C(C)(C)C 2272455526 YXMBPHSRZNJJCB-VIFPVBQESA-N 458.565 4.922 50 10 JJGE CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NNC(=O)C(c1ccccc1)c1ccccc1 2313681718 LRWGUEMXSQSCEC-UHFFFAOYSA-N 497.555 4.824 50 10 JJGE O=S1(=O)C[C@H]2C([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)[C@@H]2C1 2314500545 ONGSMVUWNHODGZ-MDZRGWNJSA-N 486.225 4.755 50 10 JJGE COc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccc(C)cc2C)nc2c(C)cccn2c1=O 2314531392 AFEHSIZLRQIZLW-UHFFFAOYSA-N 480.524 4.966 50 10 JJGE BrCc1cc(OCc2cc(I)ccc2Br)ccn1 2319164211 CRXQHEFHMRBQHU-UHFFFAOYSA-N 482.941 4.923 50 10 JJGE C[C@H]1CN(Cc2ccc(I)c(Br)c2)C[C@@H](C)[C@@H]1Br 2325221433 GRHKCZXGDZZQCC-MSRIBSCDSA-N 487.017 4.905 50 10 JJGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1OC(C)=O 2331333958 QZAGZAXHLBGHCP-UHFFFAOYSA-N 462.483 4.979 50 10 JJGE C[C@@H]1[C@H](Cl)CCN(C(=O)c2ccc(I)c(Br)c2)[C@@H]1C 2344520845 PVRCFCVTELRDIV-YGOYTEALSA-N 456.549 4.532 50 10 JJGE CC1(C)CC(CBr)(CN=S2(=O)CCC(CNC(=O)OC(C)(C)C)CC2)C1 2345005098 UCYYPAHBXZOYMC-UHFFFAOYSA-N 451.471 4.590 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2CC[C@H]1[C@H](Br)C2 2349960629 PKHRBLIKXKKUPZ-CKLFPEKLSA-N 451.984 4.600 50 10 JJGE C[C@]12C[C@H](C1)[C@@H](CO[C@H](CI)c1cccc(Br)c1)CO2 2366736727 XMVSHYRPHKDXBH-WMHQRMGPSA-N 451.142 4.757 50 10 JJGE COc1cc(CCl)c(OCc2cc(I)ccc2Br)cn1 2367518850 BAPZITJKXALKMN-UHFFFAOYSA-N 468.516 4.775 50 10 JJGE COc1ccc(N2Cc3ccc(C(=O)N/N=C/c4cccc(Br)c4)cc3C2)cc1 3088581 HYFFOAFOCJRRNL-DHRITJCHSA-N 450.336 4.742 50 10 JJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccccc1OCc1ccccc1 14030775 ZZVCFADBWCNLFL-OAHLLOKOSA-N 459.329 4.801 50 10 JJGE CNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 33375107 DXEOYUODMKDHMW-QNGOZBTKSA-N 452.489 4.910 50 10 JJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)cc1OC 38681151 ALZRBGVVADGYLO-VWLOTQADSA-N 472.472 4.836 50 10 JJGE Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3F)nc3ccccn3c2=O)c1 39992991 OARCSMABSVAONV-NBVRZTHBSA-N 454.461 4.788 50 10 JJGE Cc1nc2ccccc2n1CC(=O)N/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21 59181265 JEVDBKLPNCDHFX-KRUMMXJUSA-N 492.366 4.719 50 10 JJGE C/C(=N\NC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccc(Br)cc1 96095851 CBKPRFGJLMWACO-VULFUBBASA-N 454.299 4.995 50 10 JJGE C[C@@H](Br)C[C@@H]1CCCCCN1C(=O)c1ccccc1I 380310687 HZIRIDQEMVKUAU-OLZOCXBDSA-N 450.158 4.850 50 10 JJGE C[C@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@@H](C)[C@@H]1Br 688074638 FOIAPQNFDYGOLC-WOFXILAISA-N 454.000 4.703 50 10 JJGE CN(C(=O)c1cc(I)ccc1Br)[C@H](CCl)C(C)(C)C 689247087 LYTJPNZGGGSBPR-GFCCVEGCSA-N 458.565 4.779 50 10 JJGE CC1(CBr)CCN(C(=O)c2scc(Br)c2Br)CC1 705437219 GHQKANDJZYIUKF-UHFFFAOYSA-N 460.029 4.910 50 10 JJGE C[C@H]1CCN(C(=O)c2scc(Br)c2Br)C[C@@H]1CBr 705446950 DKIJJKGHNVEOQX-YUMQZZPRSA-N 460.029 4.766 50 10 JJGE CN(C[C@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1cc(CCl)sc1Br 720077085 HUMBOBMJWOLBOR-MRXNPFEDSA-N 491.904 4.925 50 10 JJGE O=C(N[C@@H]1CCC[C@H](CCl)C1)c1ccc(I)c(Br)c1 721620304 OAAKRBZSBMLQNK-GXSJLCMTSA-N 456.549 4.581 50 10 JJGE C#CCOc1ccc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1OC 1084592754 YMWXIEBTRDYWPP-UHFFFAOYSA-N 450.579 4.950 50 10 JJGE C#CCCCC(=O)NNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)CCC2 1558512270 CMNWMTXVPHMFKH-CZIZESTLSA-N 453.542 4.685 50 10 JJGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cccc(F)c1 1865692235 DHZMDWZRZAZBPL-SFHVURJKSA-N 488.441 4.715 50 10 JJGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OC(C)C)c(OC)c1 1865696335 DTGAAESFKFCXHG-QFIPXVFZSA-N 460.534 4.593 50 10 JJGE Cc1cc2nc(C(=O)N[C@@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)cc(C3CC3)n2n1 1867169121 JWXKLSCROORRMD-XMMPIXPASA-N 482.569 4.598 50 10 JJGE C[C@H](Br)[C@H](NC(=O)c1cccc(Br)c1Br)C(F)(F)F 1882640660 VNIIASSYUABOOV-CDUCUWFYSA-N 467.905 4.656 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@H](Cl)CCc1ccc(Cl)c(I)c1 1887438696 ONVYXYVCYIUSSA-GFCCVEGCSA-N 474.125 4.781 50 10 JJGE C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)c1ccc(I)cc1 2010825216 HTVXKIQOMCSRLG-CYBMUJFWSA-N 482.453 4.848 50 10 JJGE CC(C)(C)[C@H](CBr)CNC(=O)c1ccc(Br)cc1Br 2090198350 FXLOXZBEEMKPKX-SECBINFHSA-N 456.016 4.999 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@H](Br)C(F)(F)CC1 2093621270 SSQHZTDYSPGQAE-MRVPVSSYSA-N 481.982 4.908 50 10 JJGE C[C@H]1CN(C(=O)c2c(Br)cccc2Br)C[C@@H](C)[C@@H]1Br 2094095126 JBNVPKYJYSUVQP-WOFXILAISA-N 454.000 4.703 50 10 JJGE Cn1ncc(C[C@H](CBr)Cc2cccc(Br)c2)c1Br 2116617054 FHXYFTLJYNKQSS-LLVKDONJSA-N 451.000 4.741 50 10 JJGE Cc1cccc(C(=O)N[C@H]2CCCC[C@H]2CCBr)c1I 2146717994 FPDDCKGSLYUDFV-JSGCOSHPSA-N 450.158 4.673 50 10 JJGE C[C@@]1(CC(CBr)(CBr)c2cccc(Br)c2)COCCO1 2174172343 VGYPYCOWJYKYCO-CQSZACIVSA-N 471.027 4.672 50 10 JJGE C[C@@H]1CN(S(=O)(=O)c2ccc(CBr)c(Cl)c2)[C@H](C)CN1Cc1ccccc1 2179778759 GLRFQDQZAKFTRO-HZPDHXFCSA-N 471.848 4.518 50 10 JJGE FC(F)CC1(CCl)CCN(c2ncc(I)cc2Br)CC1 2189907041 UMYCWXGXGYUXRL-UHFFFAOYSA-N 479.534 4.929 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@H](CBr)C12CCC2 2190364499 YTADIYRWBXWPEI-SNVBAGLBSA-N 466.011 4.991 50 10 JJGE O=C(NC[C@@]12CCC[C@@]1(CBr)C2)c1cc(Br)ccc1Br 2208039802 NHIXZXZYFHFCMK-GJZGRUSLSA-N 466.011 4.897 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](O[C@H]2CCCC[C@@H]2C(F)(F)F)C1 2217090328 INIGMMCKXUXBLY-ZDEQEGDKSA-N 463.278 4.547 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCC23CC4CC(CC(C4)C2)C3)C1 2223895195 VDTZPZPLMNEDCM-QXIYBXNSSA-N 461.384 4.642 50 10 JJGE CCN(C(=O)c1cc(Br)cc(Br)c1)[C@@H]1CCC[C@H]1Br 2224419903 JIUDDIQISDXWPP-CHWSQXEVSA-N 454.000 4.990 50 10 JJGE CC1(C)C[C@H](Br)C[C@@H](NC(=O)c2c(F)cccc2I)C1 2282791842 KFALQFAFUMCYLH-NXEZZACHSA-N 454.121 4.502 50 10 JJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 2314522604 QANMGQICBRDMEP-UHFFFAOYSA-N 469.522 4.649 50 10 JJGE CC[C@H](Br)c1cn(Cc2ccc(I)c(Br)c2)nn1 2325275136 IIFYUDWOLRJNJJ-VIFPVBQESA-N 484.961 4.540 50 10 JJGE CC(C)CCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2)cc1Br 14645592 XGAPHQNIZMFEFM-UHFFFAOYSA-N 477.399 4.837 50 10 JJGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)ccc1Cl 14661602 PGOROIAUOXRHCS-UHFFFAOYSA-N 461.002 4.849 50 10 JJGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c(Oc3ccccc3)nc12 39858496 JGQABHYLOFYHTH-VKAVYKQESA-N 456.889 4.994 50 10 JJGE Cc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)c1 39858797 KRVMBCXPMAYCMJ-HKWRFOASSA-N 450.498 4.958 50 10 JJGE Cc1c(C(=O)NNC(C)(C)C)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815610 HRXGQVNUYPMZJO-XHLNEMQHSA-N 472.589 4.610 50 10 JJGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1cccc(Br)c1 40902716 ZRNZELREJHANHQ-UFWORHAWSA-N 490.977 4.503 50 10 JJGE Cc1sc2ncn(CC(=O)NN=Cc3cccc4ccccc34)c(=O)c2c1-c1ccccc1 254386796 MXQKUGBOMPOKOF-UHFFFAOYSA-N 452.539 4.737 50 10 JJGE Fc1ccc([C@@H](Br)c2cc(I)cc3c2OCC3)cc1F 312328790 IQBGNKVZVNNDNM-CQSZACIVSA-N 451.048 4.989 50 10 JJGE Nc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c(Cl)c1 382690070 LUCUNIKNIYPNBZ-YOEHRIQHSA-N 470.738 4.709 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2cc(Br)ccc2O)C1 394737250 TWOZEPVWCGYBEP-MFKMUULPSA-N 482.156 4.540 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@@H](Cl)CC[C@H]2C1 721615104 RELVFIUBWYRQEF-TUAOUCFPSA-N 468.560 4.533 50 10 JJGE Cc1occc1C(=O)NC1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1 727333227 RYEHFEYACLXULG-STZFKDTASA-N 490.991 4.977 50 10 JJGE COc1cc(C=NNC(=O)c2cc(Br)ccc2O)ccc1OCc1ccccc1 1083939421 OYJCZGYXEJWRIG-UHFFFAOYSA-N 455.308 4.506 50 10 JJGE Cc1ccc(N(CC(=O)NN=Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1C 1084122628 MQMRMIBODBLPOA-UHFFFAOYSA-N 490.412 4.956 50 10 JJGE O=C(COc1ccc(Br)cc1)NN=Cc1ccc(OCc2ccc(F)cc2)cc1 1084605732 PICFRWDAYPGXII-UHFFFAOYSA-N 457.299 4.696 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2ccc([N+](=O)[O-])cc2Br)[C@@H](CCl)C1 1614641278 FUNHXRCDIIBPMN-YOEHRIQHSA-N 453.720 4.948 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865698143 LKRIXNXXNWNTPI-XMMPIXPASA-N 478.508 4.537 50 10 JJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1 1865708924 JJIIHCDBWWDIPL-KRWDZBQOSA-N 488.853 4.608 50 10 JJGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865715145 XCCKKCSKYKVPFJ-QHCPKHFHSA-N 467.485 4.810 50 10 JJGE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)/C(C#N)=C/c1cccc(Cl)c1 1866129669 FCHHRUWVFAFJJJ-LDADJPATSA-N 455.942 4.520 50 10 JJGE CSCC[C@@H](NC(=O)[C@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866703236 QZAXEYZDXQKFOC-DNQXCXABSA-N 490.654 4.858 50 10 JJGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)CC1=O 1872746792 YIONDHBQDGKBFJ-WHTJBBQOSA-N 489.553 4.760 50 10 JJGE Cc1cc(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)c(Br)s1 1939963171 YJYMOGPJDLQZHM-CQSZACIVSA-N 461.219 4.871 50 10 JJGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)C1CC(OCc2ccccc2)C1 1958928449 OPJMGRUFYNJSLU-VNXZQDSDSA-N 480.468 4.986 50 10 JJGE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1NCCSSCCNC(=O)OC(C)(C)C 1988840352 OYFQHHXWOUUBKF-SJORKVTESA-N 463.710 4.518 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCc2sc(Br)cc21 2010826288 ZMUVEHKUGYAUJD-LBPRGKRZSA-N 453.493 4.994 50 10 JJGE O=S(=O)(c1cc(CCl)sc1Br)N(Cc1ccccc1)C[C@@H]1CCCO1 2034742507 ZTYBBSBTEBAETM-AWEZNQCLSA-N 464.834 4.619 50 10 JJGE Cc1nn(C)c(Br)c1CC(CBr)(CBr)c1ccccc1 2185793564 DRFMXNLGKIFAQK-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE C[C@@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1cc(CCl)ccc1Br 2197751412 FTVHLOHLSXUNJU-FQEVSTJZSA-N 472.832 4.948 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@H](Cl)C2)c1cc(Br)ccc1I 2204565400 VHSCEEZPHSUPBQ-GTUGTTAGSA-N 468.560 4.580 50 10 JJGE CN(C(=O)c1sccc1I)[C@@H](CBr)c1ccccc1 2278828410 DIDUJBVDZURTOD-LBPRGKRZSA-N 450.139 4.561 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 2294193373 JRBXTRAQMVNNCP-UHFFFAOYSA-N 456.498 4.586 50 10 JJGE COc1ccc(-n2c(C)cc(C=C(C#N)C(=O)Nc3cc(OC)c(OC)c(OC)c3)c2C)cc1 2297368571 YONSVBGLXYCKDS-UHFFFAOYSA-N 461.518 4.674 50 10 JJGE COc1cc(C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2331030528 BGCXATRYPRAQAM-UHFFFAOYSA-N 498.900 4.814 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@H]2CC[C@H]1[C@@H](Br)C2 2349948891 TXKLWMPFKLGOGE-UWJYBYFXSA-N 451.984 4.600 50 10 JJGE O=C(O)/C(NC(=O)c1ccccc1)=C(/c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 2317286 XPTLDXHMFLLDOX-OCEACIFDSA-N 467.461 4.884 50 10 JJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc1 14644429 AVCFIYKFYCCQRD-KGLIPLIRSA-N 483.790 4.610 50 10 JJGE COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(Br)cc1F 33344055 ZANIYTHOAPAALN-WDZFZDKYSA-N 454.093 4.905 50 10 JJGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1 38649414 PHEOVKSMNCTMCV-SANMLTNESA-N 485.496 4.921 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC)cc2)cc1 38685768 HUUPRFVNCAPKEK-RUZDIDTESA-N 456.498 4.921 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 38688317 RVLCKTCTVPSXDS-PKTZIBPZSA-N 495.318 4.957 50 10 JJGE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)c1 40814575 OFUUTGSAZYPPHH-VFCFBJKWSA-N 474.517 4.765 50 10 JJGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCC)c(OCC)c2)c(OC)c1 40890542 UXXQVPJMEDRGNX-RMFULTEWSA-N 478.545 4.545 50 10 JJGE O=C(/C=C\c1ccccc1)Oc1ccc(Br)cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1 59500442 FXHZYHBXXTYDGU-WFWVUEOTSA-N 494.301 4.740 50 10 JJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1 205655943 DAJMJEYRLUYLNI-XHASNHEZSA-N 466.493 4.619 50 10 JJGE C[C@H](Br)C[C@H](C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 228247157 LNCOTHJENZLKKK-BQBZGAKWSA-N 454.011 4.596 50 10 JJGE CC(=NNC(=O)c1cccc(COc2ccc(C(C)(C)C)cc2)c1)c1ccc(-n2cnnn2)cc1 254399220 FZGWOCIWKSGHJY-UHFFFAOYSA-N 468.561 4.693 50 10 JJGE O=C(CCSc1ccccc1)NN=Cc1ccc(C=NNC(=O)CCSc2ccccc2)cc1 254734234 GFXWXPCJILJFGP-UHFFFAOYSA-N 490.654 4.952 50 10 JJGE Cc1ccnc2c1nc(CCl)n2-c1cc(Br)ccc1I 380042196 NQNWOVQQKZQAJG-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE CS(=O)(=O)CCCCC(CBr)(CBr)c1cccc(Br)c1 706372461 LDBJYAAIQYFGHE-UHFFFAOYSA-N 491.083 4.692 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084099619 KCCREMYGNPSHNF-QGMBQPNBSA-N 463.877 4.690 50 10 JJGE O=C(COc1ccc(-c2ccccc2)cc1Br)NN=Cc1cccc([N+](=O)[O-])c1 1772754273 QVKXGWCAWNRROK-UHFFFAOYSA-N 454.280 4.553 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865713194 UBLNBYGIHJAXRI-JOCHJYFZSA-N 467.460 4.864 50 10 JJGE O=C(NC[C@H]1CC[C@H](CBr)CC1)c1ccc(I)c(Cl)c1 1922704044 KDLLPFHLCGNCHL-XYPYZODXSA-N 470.576 4.876 50 10 JJGE CC(C)[C@@H]1[C@@H](NCCSSCCNC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 1987815243 PJWQCHYUYQHGQM-DLBZAZTESA-N 463.710 4.516 50 10 JJGE CC(C)Cc1cc(CBr)n(Cc2cc(F)ccc2I)n1 2070048647 MIWBVOIZIHZNOD-UHFFFAOYSA-N 451.121 4.769 50 10 JJGE C[C@](CBr)(NC(=O)c1cc(Br)ccc1Br)C(F)(F)F 2105104928 PAYJPRZPBFLLBE-SNVBAGLBSA-N 467.905 4.657 50 10 JJGE O=C(c1scc(Br)c1Br)N1CCC([C@H](F)CBr)CC1 2106952392 LMLWDSCTYMAGGE-SECBINFHSA-N 478.019 4.858 50 10 JJGE C[C@@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2Cl)CCN1Cc1ccccc1 2179794170 DAKYGTPMCLMOAB-MRXNPFEDSA-N 471.848 4.520 50 10 JJGE CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2cc(CBr)c(Cl)cc2Cl)C1 2179827575 GUSNPTXOZSEESU-INIZCTEOSA-N 492.266 4.783 50 10 JJGE Cn1nc(Br)c([C@H](Br)c2cc(Br)c(Br)s2)n1 2210979684 YWULJEFCMPFCBV-RXMQYKEDSA-N 494.832 4.648 50 10 JJGE CS(=O)(=O)[C@H]1C[C@H]([C@@H](Br)c2sc(Br)cc2Br)C1 2249067387 HGYDAUACWZEEND-HCVRKRLWSA-N 467.042 4.532 50 10 JJGE CCO[C@]1(COc2c(Br)cc(CBr)cc2Br)CCOC1 2287070485 PWTOVCMICJQDOP-CQSZACIVSA-N 472.999 4.681 50 10 JJGE COc1ccc([C@@H](Br)c2c(F)cccc2I)c(OC)c1 2287188729 FQHOIGJTKOGJFS-OAHLLOKOSA-N 451.073 4.932 50 10 JJGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2296506741 CGJYXLIMDXYXDK-HSZRJFAPSA-N 457.530 4.568 50 10 JJGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 2314579317 PSWMZPAVHAMSFQ-AWEZNQCLSA-N 470.407 4.879 50 10 JJGE FC1(F)C[C@H](CBr)N(Cc2ccc(Cl)c(I)c2)C1 2315550726 IBOGYFPYQNRFPE-SECBINFHSA-N 450.492 4.549 50 10 JJGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)N/N=C/c1cccc(Cl)c1 20523375 VWRPYDWETHGKAM-JFLMPSFJSA-N 476.993 4.775 50 10 JJGE COc1ccc(C(=O)N/N=C/c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)cc1 59392316 OXHBPLVJVJOVRK-SRZZPIQSSA-N 454.489 4.721 50 10 JJGE CCOC(=O)c1ccccc1NC(=O)[C@@H](Br)[C@@H](Br)c1ccccc1 101642821 COJIMHIKKDVVEW-HOTGVXAUSA-N 455.146 4.702 50 10 JJGE CCCCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 254583383 OUEPLLGCYRIIQI-UHFFFAOYSA-N 490.556 4.795 50 10 JJGE C[C@H](Br)C[C@@H]1CCCN1C(=O)c1ccc(I)c(Cl)c1 311395998 ZOKHXDVKGOMIMC-ONGXEEELSA-N 456.549 4.723 50 10 JJGE C[C@@H](Cl)C[C@@H]1CCCN1C(=O)c1cc(Br)ccc1I 311986338 MVFUQYCVNORRCD-KOLCDFICSA-N 456.549 4.676 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(F)cc2F)C1 382722523 OFWZBYACEWPCLL-PBHICJAKSA-N 457.258 4.752 50 10 JJGE C[C@@H](Br)C[C@@H](C)CNC(=O)c1cc(I)ccc1Br 397860821 XNWVOMUGXIYCOS-RKDXNWHRSA-N 488.989 4.593 50 10 JJGE O=C(CBr)c1c(Br)ccc(I)c1OC(F)(F)F 575694528 HDHYFTZGHFIJGR-UHFFFAOYSA-N 487.835 4.530 50 10 JJGE O=C(NN=Cc1ccc(OCc2ccccc2)c(Br)c1)c1cccc([N+](=O)[O-])c1 1082988683 NVGAEDDNHWHLQC-UHFFFAOYSA-N 454.280 4.700 50 10 JJGE Cc1cccc(Cl)c1OCc1ccc(C=NNC(=O)c2cccc(N3CCCC3=O)c2)o1 1084164268 JBBRVMINNVNPSB-UHFFFAOYSA-N 451.910 4.711 50 10 JJGE CCn1c(SCCCC(=O)NN=Cc2cc(Br)ccc2OC)nc2ccccc21 1084282612 YUBHUACMDFCRPM-UHFFFAOYSA-N 475.412 4.850 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)nc1 1772751369 QAQRBXPMJXNWQZ-UHFFFAOYSA-N 453.502 4.562 50 10 JJGE COc1cc(C=NNC(=O)COc2cccc(Br)c2)ccc1OCCc1ccccc1 1772753950 MKBMAWXNRHLQNL-UHFFFAOYSA-N 483.362 4.608 50 10 JJGE C[C@@H](C(=O)N/N=C\c1cccc(OCc2ccccc2)c1)n1cnc2sc3c(c2c1=O)CCCC3 1860774357 SVOMJDPFQQQFOP-ALMWKJIMSA-N 486.597 4.627 50 10 JJGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)cc1OC 1865690818 BUJPBJCEUGWSJZ-IBGZPJMESA-N 495.377 4.865 50 10 JJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865698029 IIFDJYWRQFMNPK-OAQYLSRUSA-N 456.527 4.836 50 10 JJGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865712652 DSFWBJAENMBCSO-HSZRJFAPSA-N 479.496 4.983 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@]2(CC[C@](C)(CI)O2)C(F)(F)CC1 2020326788 MJQVOGUURWZSSF-HZPDHXFCSA-N 459.315 4.786 50 10 JJGE CC[C@H]1CN(C(=O)c2cc(Br)c(Br)s2)C[C@@H]1CBr 2084899294 MUELJMSJJOKMLL-YUMQZZPRSA-N 460.029 4.766 50 10 JJGE O=C(N[C@H]1CCC[C@H]1CCBr)c1cc(Br)ccc1Br 2090571750 KASYOBPMNNZRPO-ZANVPECISA-N 454.000 4.895 50 10 JJGE CCCC(CBr)(CCC)CN=[S@]1(=O)CC[C@@H](CNC(=O)OC(C)(C)C)C1 2106781201 FXPIWXHCAKNONT-QMTYFTJSSA-N 453.487 4.981 50 10 JJGE C=CC[C@@](C)(CCl)CNC(=O)c1cc(I)ccc1Br 2137198622 HGZVIVBJEFUDPB-AWEZNQCLSA-N 456.549 4.605 50 10 JJGE ClCCc1nc2cc(Br)cnc2n1[C@@H]1CCOC[C@@H]1OCc1ccccc1 2146524841 STRXUPRCPHJRAR-MSOLQXFVSA-N 450.764 4.522 50 10 JJGE O=C(c1cc(I)ccc1Br)N1[C@H](CCl)C[C@H]2CCC[C@H]21 2164664162 QDTATUMRMWAXQF-OLUVUFQESA-N 468.560 4.676 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Br)C2 2190677084 GSEVGAQVJRDVDZ-QNWHQSFQSA-N 469.974 4.690 50 10 JJGE C[C@@](CI)(O[C@@H]1COC2(CCC2)C1)c1ccccc1Br 2197361285 WGUZDFWSFAKCGB-WFASDCNBSA-N 451.142 4.828 50 10 JJGE CC(C)(C)OC(=O)NC[C@@](C)(CI)O[C@H]1CC[C@@H](C(F)(F)F)CC1 2217090741 LXJNTBSNTJUZKS-TYNCELHUSA-N 465.294 4.843 50 10 JJGE BrCCC[C@H]1CCCN(c2ncc(I)cc2Br)C1 2218750979 SSCPOVUIMSNQJN-JTQLQIEISA-N 488.005 4.840 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(OCCc2ccc(F)cc2)CC1 2263401543 HQNSFNRYZBATIX-UHFFFAOYSA-N 463.331 4.590 50 10 JJGE Cc1cccc(C)c1OCC(=O)NN=Cc1ccc(-c2ccc(I)cc2)o1 2297708276 SFALHBSYZIQRTN-UHFFFAOYSA-N 474.298 4.697 50 10 JJGE O=C(c1scc(Br)c1Br)N1CC[C@@H](Br)[C@H]2CC[C@H]21 2310809962 JCOPNLQYYYKIQK-ZXFLCMHBSA-N 458.013 4.661 50 10 JJGE COc1cc(C=C(C#N)c2nc(-c3ccco3)cs2)ccc1OCC(=O)Nc1nccs1 2314519605 VBPCXYMPGWPAIW-UHFFFAOYSA-N 464.528 4.950 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](OCc2ccc(F)cc2C2CC2)[C@H](I)C1 2317104892 CXZQRNQHOQTGFS-SJORKVTESA-N 461.315 4.643 50 10 JJGE O=C1C(=Cc2cc(Br)cc3c2OCOC3)Oc2cc(OC(=O)C(Cl)Cl)ccc21 2323752524 PTRFLHGPXSBDNL-UHFFFAOYSA-N 486.101 4.641 50 10 JJGE COc1ccc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)cc1OCc1ccccc1 2328835217 ILZXNQLVEUGCSB-UHFFFAOYSA-N 469.582 4.809 50 10 JJGE CN(C[C@@H]1CCC[C@@H]1Br)C(=O)c1ccc(Cl)cc1I 2340062370 YYPAZXXHOPMSHH-CABZTGNLSA-N 456.549 4.580 50 10 JJGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)c1cc(Br)ccc1OCC(C)C 14666891 DKHMMQRFGAZNDA-MRXNPFEDSA-N 477.399 4.837 50 10 JJGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)c1 38684546 KRONJDYZHRWSOH-HHHXNRCGSA-N 468.509 4.762 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 58892773 HFPCYNYFGHPMMP-PFRKPPGBSA-N 471.897 4.871 50 10 JJGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(C(C)C)cc2)C(=O)N1c1ccc(OCC)cc1 101241783 LOFLWPUOVIRYKC-NLTRVXJZSA-N 475.614 4.937 50 10 JJGE O=c1[nH]c2ccc([C@@H](Cl)c3cc(I)ccc3Br)cc2o1 236048920 QPPGMZBVMHJEAB-CYBMUJFWSA-N 464.484 4.816 50 10 JJGE CC(=NNC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1)c1cc([N+](=O)[O-])cs1 252621822 NHNCEWLUEJYHLQ-WBZVSUIUSA-N 460.515 4.524 50 10 JJGE COc1cc(C=NNC(=O)c2cc3ccccc3cc2O)ccc1OC(=O)c1ccc(C)cc1 254617871 BAZCLVYCDXHHGM-UHFFFAOYSA-N 454.482 4.846 50 10 JJGE O=C(CBr)c1c(Br)cc(I)cc1OC(F)(F)F 575693760 AFWOQPLMDKATCW-UHFFFAOYSA-N 487.835 4.530 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)c(C)n1-c1ccc(F)cc1 759075261 AODYLJZVLFCBDQ-DPUDNOKTSA-N 471.511 4.919 50 10 JJGE CSc1ccc(C=NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 1084045638 GVTRZIREJKDTMV-UHFFFAOYSA-N 472.202 4.771 50 10 JJGE O=C(COc1ccc2ccccc2c1Br)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1 1084127249 HMBKFKTUGDSWLU-UHFFFAOYSA-N 462.687 4.693 50 10 JJGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C#N)=C(N)O2 1865680850 XXENKIWJWAQCHZ-IBGZPJMESA-N 457.317 4.761 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1cc(Cl)ccc1O 1865689980 YGJIIIFMCQPMAW-INIZCTEOSA-N 464.806 4.666 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1ccccc1[N+](=O)[O-] 1865709962 LFOPNIYMKQDOMM-HNNXBMFYSA-N 461.787 4.671 50 10 JJGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3ccc4oc(O)nc4c3)CC2)n1 1868277926 MKGFJYLQQKZTKF-UHFFFAOYSA-N 473.562 4.529 50 10 JJGE CC(C)N(CCBr)Cc1ccc(I)c(Br)c1 1904345899 LEOIZQOROBHCNK-UHFFFAOYSA-N 460.979 4.659 50 10 JJGE CC1(C)[C@@H](Br)CCCN1c1ncc(I)cc1Br 2020195937 LJYQBTSXPSRMSR-JTQLQIEISA-N 473.978 4.591 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@@H]2CCCCC2(F)F)C1 2020373491 WAHQKWWEQHQDNE-CZUORRHYSA-N 459.315 4.786 50 10 JJGE O=C(N[C@H]1CC[C@@H](CBr)CC1)c1cc(Br)sc1Br 2054699157 TWYKCRRWFCSXCV-OCAPTIKFSA-N 460.029 4.957 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cccc(Br)c1Cl 2061267329 BGKBUPUDDZFYTR-UHFFFAOYSA-N 469.854 4.738 50 10 JJGE O=C(c1csc(Br)c1Br)N1CC[C@@H](Br)[C@@H]1C1CC1 2067016956 OQWDKSVMQHVBEF-SCZZXKLOSA-N 458.013 4.661 50 10 JJGE COC[C@@H](C)OC[C@H](Br)CCc1cc(Cl)ccc1I 2099447871 SNTPKZUUTOLNOA-ZYHUDNBSSA-N 461.565 4.692 50 10 JJGE C[C@H]1C[C@@H](Br)CCN(C(=O)c2cc(Br)cc(Br)c2)C1 2103284678 GNCSJZHJOURWBB-ONGXEEELSA-N 454.000 4.847 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NC[C@@H](CBr)C2CCC2)C1(C)C 2106787946 LOWIAEBGJPCDOU-YQHYCNIYSA-N 451.471 4.589 50 10 JJGE C[C@@H]1CC[C@H](CBr)N(C(=O)c2cc(Br)ccc2Br)C1 2110615370 FHBODZVEXSBYKT-MWLCHTKSSA-N 454.000 4.847 50 10 JJGE CC1(C)CC[C@H](CBr)N1C(=O)c1ccc(Br)cc1Br 2140847407 BBPBLUPXJUQVET-SNVBAGLBSA-N 454.000 4.990 50 10 JJGE CCC[C@](C)(CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2146581199 AFCMBTMKNRFTPV-GFCCVEGCSA-N 468.038 4.988 50 10 JJGE O=S(=O)(N[C@H](CBr)c1cccs1)c1ccc(Br)cc1Cl 2175668461 CTLSAVUTPZEWHF-SNVBAGLBSA-N 459.612 4.579 50 10 JJGE CCn1cc(Br)c(CN(C)c2cc(Br)ccc2CBr)n1 2181211230 OPBLEYCJNZRSPA-UHFFFAOYSA-N 466.015 4.959 50 10 JJGE FC(F)[C@@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cncc(Br)c21 2193246196 SFMKLPJWOYUYSF-CJNGLKHVSA-N 455.734 4.871 50 10 JJGE CC[C@H](C)[C@H](CI)NC(=O)c1ccc(Cl)c(I)c1 2256391977 SANHCEQQQHOPJC-UFBFGSQYSA-N 491.538 4.524 50 10 JJGE CN(C(=O)c1c(F)cccc1I)C1(CBr)CCCCC1 2282795771 XOAKTVCVZABMPT-UHFFFAOYSA-N 454.121 4.600 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1[C@H]2CC[C@@H](Br)[C@H]1CC2 2295315631 OCUKCNYUNHVLAU-BFHYXJOUSA-N 466.011 4.671 50 10 JJGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)ccc1OS(=O)(=O)c1ccccc1 2297551887 RVPBTPXETFKBGB-UHFFFAOYSA-N 468.918 4.662 50 10 JJGE CCOc1cc(OCC)c(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 2313567506 KORHADOKCLLFKX-UHFFFAOYSA-N 484.394 4.502 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(C(=O)OC)cc2)sc2c1CC[C@H](CC)C2 2314571721 KVVGWJJYVRCRCR-HNNXBMFYSA-N 466.559 4.772 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)CNS(=O)(=O)c3ccc(C)cc3)n2)c(C)c1C 2331362401 GEIJNJPKVOSZKE-UHFFFAOYSA-N 469.588 4.515 50 10 JJGE C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2I)[C@H]1CBr 2340057662 NRHHTMLYGWJGFS-RNCFNFMXSA-N 456.549 4.580 50 10 JJGE CC(C)(C)OC(=O)NC1CC(C[S@](C)(=O)=NC[C@@](C)(CBr)C(C)(C)C)C1 2352114876 BLSXZARPGIKQTK-MBYYMLCXSA-N 453.487 4.835 50 10 JJGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)c1sc2ccccc2c1Cl 12574809 YKTQKTCTIQPKKX-UHFFFAOYSA-N 450.347 4.696 50 10 JJGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)COc1ccccc1-c1ccccc1 14642969 XAWYTSIXMGQRNG-GOSISDBHSA-N 497.389 4.727 50 10 JJGE Cc1cc(Br)cc2c1NC(=O)/C2=N\NC(=O)COc1c(Cl)cc(Cl)cc1Cl 15015354 DGAMWGVWNCMNSQ-UHFFFAOYSA-N 491.556 4.569 50 10 JJGE C=CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Oc1ccccc1Br 20311320 DEVYARKBRVIADN-UMYHVIPVSA-N 482.172 4.694 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1OC 38658660 OMOROPNJIRNESG-VWLOTQADSA-N 476.916 4.723 50 10 JJGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccccc2C)cc1 39992838 LPXZCISHWGCMGK-HMMYKYKNSA-N 450.498 4.958 50 10 JJGE Cc1ccccc1NC(=O)/C(C#N)=C/c1c(Oc2ccccc2F)nc2c(C)cccn2c1=O 39993000 LZPFWOGWJPTGKY-NBVRZTHBSA-N 454.461 4.788 50 10 JJGE Cc1cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1sc2c(c1C#N)CCCC2 58888409 FXEQXEOXEDMYCA-JPJGIZCJSA-N 460.603 4.870 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(-c3ccc(C(=O)OC)c(Cl)c3)o2)cc1 58894660 DZVJNWICPIBXMK-TVYAFPLLSA-N 484.936 4.749 50 10 JJGE O=C(CCc1ccccc1O)N/N=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 59165965 DWQOKBVYFVSDQN-NFFVHWSESA-N 468.340 4.699 50 10 JJGE CCCCN(C(=O)CCl)[C@@H](C(=O)NC1CCCCC1)c1ccc(OC(C)C)c(OC)c1 97914688 ZVVGKOIRHGQCQQ-HSZRJFAPSA-N 453.023 4.840 50 10 JJGE CO[C@@H]1[C@@H](Br)C[C@@H]1Oc1c(Br)cc(Br)cc1Br 229266591 CEONJCHWSKHDHM-ATZCPNFKSA-N 493.815 4.904 50 10 JJGE O=C(NCCCCCCI)c1cc(Br)sc1Br 232484959 HXHJWZLUMFDYLO-UHFFFAOYSA-N 495.018 4.998 50 10 JJGE C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2ccccc2C(F)(F)F)cc1 254294146 SAJXYSZCOBQYOS-IAGOWNOFSA-N 461.484 4.638 50 10 JJGE CCOc1cc(C=NNC(=O)COc2cccc3ccccc23)ccc1OC(=O)c1ccc(OC)cc1 254611200 SZFFKFLBHQLCRT-UHFFFAOYSA-N 498.535 4.995 50 10 JJGE CCCCOc1ccc(C=NNC(=O)c2ccccc2NS(=O)(=O)c2ccc(OCC)cc2)cc1 254740890 LXVASRNAAYXHTH-UHFFFAOYSA-N 495.601 4.829 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(O)c(Br)c2)[C@@H](CBr)C1 382684607 BVUNTPJRXVCQTQ-JKSUJKDBSA-N 469.173 4.902 50 10 JJGE Fc1cccc([C@H](Br)c2cc(I)cc3c2OCC3)c1F 383230779 BDLHFTHVUZXCKT-ZDUSSCGKSA-N 451.048 4.989 50 10 JJGE C[C@@H]1CC[C@@H](Br)CN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 399375318 UKWBMWYXYIAOFJ-HTQZYQBOSA-N 466.022 4.692 50 10 JJGE BrCC(CBr)(Cc1cnsn1)c1ccc(Br)cc1 399806966 ZGUQYPAIDZNJEK-UHFFFAOYSA-N 455.013 4.571 50 10 JJGE CC(C)(C)[Si](O[C@@H]1[C@H](O[C@H]2CCCCO2)C[C@]2(C)OC(=O)C[C@H]12)(c1ccccc1)c1ccccc1 575229464 ITCXUQHEHRCVIZ-FQKFEOBDSA-N 494.704 4.569 50 10 JJGE C[C@H]1CC[C@H](CBr)CN1C(=O)c1cc(Cl)ccc1I 708455542 BIYIIMWSQZFHOB-VHSXEESVSA-N 456.549 4.580 50 10 JJGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3cn(C)c(Br)n3)c2O1 720044395 RKNZKKLBLKJTBX-MADCSZMMSA-N 464.983 4.753 50 10 JJGE O=C(NNc1nc(-c2ccccc2)no1)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 728079627 QNMBIBXNRFKBAZ-UHFFFAOYSA-N 456.437 4.713 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC 1084069235 KAUAHSDNUYHTMQ-MHWRWJLKSA-N 476.314 4.943 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(C)c([N+](=O)[O-])c3)c2C)cc1 1084302591 QJNNUQINFQWZRT-VWLOTQADSA-N 478.549 4.673 50 10 JJGE COc1ccc(C(=O)NN=Cc2cccc(OC)c2OCc2ccc(Br)cc2)cc1 1084433468 BKJOWMURLWKEOP-UHFFFAOYSA-N 469.335 4.809 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)cc1 1865694775 BDIOYGGSXDVITG-OAQYLSRUSA-N 452.917 4.903 50 10 JJGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)c(OC(C)C)c(OC)c1 1865697966 HCXUVVVGUZGWIG-GOSISDBHSA-N 475.387 4.632 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc(Cl)c1O 1865707392 VZARUEAUJCSXAT-GOSISDBHSA-N 487.741 4.529 50 10 JJGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1 1865714745 PFHUIUILOAWYGY-MRXNPFEDSA-N 491.267 4.880 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H](Br)C1)c1c(Br)cccc1Br 2094088456 LGADKWFDKYEPGA-NXEZZACHSA-N 454.000 4.895 50 10 JJGE O=C(c1sccc1I)N1CCC[C@]2(CBr)CCCC[C@@H]12 2165295096 XDKNAOPCCFYCDD-DOMZBBRYSA-N 468.198 4.913 50 10 JJGE O=C(NC[C@@H]1CCCC[C@H](Br)C1)c1cc(I)ccc1F 2169664871 SZNCFCZGRUEPPH-MNOVXSKESA-N 454.121 4.504 50 10 JJGE CN(C(=O)c1ccc(I)c(Cl)c1)[C@H](CCBr)C(F)(F)F 2178515890 PXIQXTYOUYTDGB-SNVBAGLBSA-N 484.481 4.733 50 10 JJGE CC(C)[C@@H]1[C@H](Br)CCN1c1ncc(C(F)(F)F)cc1I 2182484875 ADGKVZATWIGGMQ-MWLCHTKSSA-N 463.079 4.703 50 10 JJGE Cc1sc(CBr)cc1S(=O)(=O)N1CCCN(Cc2ccccc2)C(C)(C)C1 2193725242 LZGMVNYGSZWFKA-UHFFFAOYSA-N 471.486 4.627 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CCC(OCCCBr)CC1 2207534328 WXDWWXWQBYJEEA-UHFFFAOYSA-N 490.055 4.679 50 10 JJGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)Cc1ccccc1Br 2213760808 LQECRRATECNACO-QGZVFWFLSA-N 475.246 4.955 50 10 JJGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccccc2O)cc1 2295149900 IFKRPVYHGAXSMR-UHFFFAOYSA-N 470.573 4.550 50 10 JJGE COc1cc(C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314618295 KWSKUCUYPFVOJP-UHFFFAOYSA-N 468.509 4.968 50 10 JJGE Clc1ccc(CN2C[C@@H]3CCC[C@@H](Br)[C@H]3C2)c(I)c1 2341059344 KATMQQMVNFFLEF-LEWSCRJBSA-N 454.577 4.940 50 10 JJGE CC(C)[C@H]1C[C@@H](Cl)CN1C(=O)c1cc(Br)ccc1I 2344598593 AIHFYIOXJIEJRG-ZWNOBZJWSA-N 456.549 4.532 50 10 JJGE ClC[C@H]1CN(Cc2ccc(I)c(Br)c2)CC12CCC2 2349843347 URFMSKDTVSETCA-LBPRGKRZSA-N 454.577 4.895 50 10 JJGE O=C(N[C@H]1C[C@@H](CBr)C12CCC2)c1cc(Br)ccc1Br 2379721526 SJVPIKAUQUHGJF-ZANVPECISA-N 466.011 4.895 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCOC)c(C)c1 33767876 ONMGQHGURYTLFL-FXBPSFAMSA-N 458.562 4.696 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)c(OC)c1 38657207 DOKBQDPRRUVSAX-VWLOTQADSA-N 476.916 4.723 50 10 JJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1 38658155 SHENWERCWVDPLY-MRDQGFSESA-N 486.499 4.982 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@H]1c1ccccc1Br 38678620 YXCREMPTLSWLGB-LJQANCHMSA-N 453.317 4.948 50 10 JJGE N#C/C(=C\c1ccc(OC(=O)COc2ccc(Cl)cc2Cl)cc1)C(=O)NCc1ccco1 40929459 VCKNHYWFGPYXIW-MHWRWJLKSA-N 471.296 4.794 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccccc2OCc2ccccc2F)cc1 58895455 AXQQIPZHEQYEOU-WVVPCBRLSA-N 450.510 4.767 50 10 JJGE COc1cc(/C=N/NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc(C(=O)O)cc1 59166054 ILMJZVPNONZJCB-RWPZCVJISA-N 462.546 4.639 50 10 JJGE N#C/C(=C/Nc1ccc2c(c1)OCO2)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 102934685 LLTXEOWLGKYWFK-LCYFTJDESA-N 460.427 4.530 50 10 JJGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)C1=O 214353217 ALTYNEKJJRFICH-XKZIYDEJSA-N 452.489 4.765 50 10 JJGE CCO[C@@H]1[C@@H](Br)C[C@@H]1Oc1cc(Br)c(OC)cc1Br 229355244 LPZISYRXHNSDDR-TVYUQYBPSA-N 458.972 4.540 50 10 JJGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=Cc3ccc(-c4ccc(F)cc4)o3)c2)cc1 254576927 GWMUZYWXVNLOCY-UHFFFAOYSA-N 493.516 4.659 50 10 JJGE O=C(NN=Cc1ccc(OC(=O)c2cccc3ccccc23)c([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] 254752031 QTSHPDCZMJPHOU-UHFFFAOYSA-N 484.424 4.639 50 10 JJGE COc1ccc(C(C)=NNC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc1 254769885 UOVYWHRWKPTOHM-UHFFFAOYSA-N 458.634 4.780 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc(O)cc2O)cc1 254844828 OSKOHUYRFZUGTK-UHFFFAOYSA-N 470.481 4.633 50 10 JJGE C=CCOc1ccccc1C=NNC(=O)CCCCCCC(=O)NN=Cc1ccccc1OCC=C 254877389 JXNYAXGGKNKFMY-UHFFFAOYSA-N 490.604 4.757 50 10 JJGE C[C@H](Br)C[C@H]1CCCCN1C(=O)c1ccc(F)cc1I 380228538 KYSAVGQWAPVVDX-CMPLNLGQSA-N 454.121 4.599 50 10 JJGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1ccc(Br)cc1Br 686179645 PPFCHCRXLHOUMW-ZJIMWXPPSA-N 466.011 4.988 50 10 JJGE C=CCOc1c(Cl)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OCC 725446331 PLNFTXXEPKWALU-NRFANRHFSA-N 460.958 4.666 50 10 JJGE CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCCN(Cc4cscn4)CC3)c2C)cc1 727404477 GRCZIIRDFXHQJZ-HAHDFKILSA-N 489.645 4.591 50 10 JJGE COc1ccccc1N(CC(=O)NN=C(C)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1 1084257259 BUYIADSPZHBKFT-UHFFFAOYSA-N 493.629 4.728 50 10 JJGE CCn1c(SCCCC(=O)NN=Cc2cc(Br)ccc2O)nc2ccccc21 1084441604 PWFAMVCSWGOERS-UHFFFAOYSA-N 461.385 4.547 50 10 JJGE CC(=O)c1cc(C(=O)NNc2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)ccc1C 1347754119 VITZNYPWSUQASY-UHFFFAOYSA-N 450.560 4.911 50 10 JJGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1ccccc1 1865694562 ZIVQHEPXZSJGNM-HSZRJFAPSA-N 458.562 4.899 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc(Cl)c1O 1865707101 NNYUXHGJARANIC-LJQANCHMSA-N 475.307 4.618 50 10 JJGE COc1ccc(-c2ccc(C(=O)NNC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c(C)n2)cc1 1865757297 WFUOPEIXQIHJPU-AWEZNQCLSA-N 474.344 4.601 50 10 JJGE COc1ccc(-c2ccc(C(=O)NNC(=O)[C@H](Cc3ccccc3)c3ccccc3)c(C)n2)cc1OC 1865759169 LTLMGGXFPDFEIG-RUZDIDTESA-N 495.579 4.862 50 10 JJGE Cc1ccc(SCCCC(=O)NNC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)cc1 1865759496 DABYAMZIEDLAKS-UHFFFAOYSA-N 455.530 4.977 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)Cc2cc(-c3ccccc3)on2)cc1 1866913042 MNBHAAKOYRKXJA-DEOSSOPVSA-N 498.564 4.529 50 10 JJGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1Cl 1872756183 FOLUQYRCQSKVMV-IGUAEOCPSA-N 495.944 4.958 50 10 JJGE CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1cccc(OCc2ccc(F)cc2)c1 1873795656 VZOGNAAJSPDUIP-OGLMXYFKSA-N 457.546 4.940 50 10 JJGE Cn1cnc(Br)c1[C@@H](Br)c1sc(Cl)cc1I 1901023727 OCLPCKXYXSRELD-ZCFIWIBFSA-N 496.393 4.986 50 10 JJGE CC[C@@H]1[C@H](CBr)CCN1C(=O)c1csc(Br)c1Br 2032959138 VEXFGUXNHRAEOC-IONNQARKSA-N 460.029 4.909 50 10 JJGE CCOc1cc(C=C(C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)ccc1OCC(C)C 2040448184 DVGZUBNIYPNNEQ-UHFFFAOYSA-N 473.577 4.602 50 10 JJGE CC(C)[S@](=O)(=NC[C@@H](CBr)C(C)(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2126848564 DYXBGGKNCMLJPN-KVUUWBKYSA-N 453.487 4.929 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@@H]2CCCC(F)(F)C2)C1 2216581633 JEXSOTYCDKEFMK-CZUORRHYSA-N 459.315 4.786 50 10 JJGE C[C@@H]1CN(C(=O)c2ccc(Cl)c(I)c2)CC[C@H]1CCBr 2283663270 FVQYFUZQUYIMNO-GHMZBOCLSA-N 470.576 4.828 50 10 JJGE N#CC(C(N)=O)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1 2293038661 RRAFFQZLAMNBFJ-MRXNPFEDSA-N 497.201 4.667 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C)ccc1OS(=O)(=O)c1ccccc1 2313541028 LYJORNZSRSVFEZ-UHFFFAOYSA-N 462.527 4.707 50 10 JJGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NC3CCCCC3)c(Oc3ccccc3Cl)nc12 2314436774 AWALNAPOOOWFPF-UHFFFAOYSA-N 462.937 4.805 50 10 JJGE O=C(N[C@@H](CBr)c1ccccc1)c1ccc(Cl)cc1I 2365584642 QWJRSNIFXNZSKA-AWEZNQCLSA-N 464.528 4.811 50 10 JJGE COc1ncc(Br)c(C)c1CN[C@@H](C)CCCCCI 2368300383 AJFWPUHIERSTPT-NSHDSACASA-N 455.178 4.635 50 10 JJGE CCn1nc(Br)c(C[C@@H](CBr)Cc2cccc(Br)c2)n1 2379912416 RVAKJVYEQSGKBW-NSHDSACASA-N 466.015 4.619 50 10 JJGE COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)cc1CN1CCCc2ccccc21 3064454 XSOFLFJMQDUHDO-JFLMPSFJSA-N 494.389 4.880 50 10 JJGE Cc1ccc(OCC(=O)N/N=C/c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)cc1 3661863 ZGDJPCTVPNBSKV-SSDVNMTOSA-N 468.516 4.786 50 10 JJGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 14032997 WUCWRTULTSCVLL-UHFFFAOYSA-N 498.432 4.667 50 10 JJGE O=C(COc1ccc(-c2ccccc2)cc1Br)NNC(=O)Cc1ccc(Cl)cc1 14642259 HAPBUCNVDPZOBY-UHFFFAOYSA-N 473.754 4.538 50 10 JJGE O=C(NNC(=O)c1cc(-c2ccco2)nc2ccccc12)c1cccc(OCc2cscn2)c1 17409599 PHEJSNIOZXXRPP-UHFFFAOYSA-N 470.510 4.605 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 33677183 YPHYCOHVLHZZBS-XNTDXEJSSA-N 478.392 4.989 50 10 JJGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCC(C)C 38608532 BHJOVDPNMGWPDJ-UFFVCSGVSA-N 488.540 4.641 50 10 JJGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(C)cccc3C)ccc21 38650501 CYMAULAJQSVEAZ-AREMUKBSSA-N 470.525 4.905 50 10 JJGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(C)cc1)CCC2 40804796 PZOMFTAFYDGGQN-XHLNEMQHSA-N 473.529 4.796 50 10 JJGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2)c1ccccc1 40813071 NRJHDSNLDBPMJV-LHLOQNFPSA-N 460.490 4.633 50 10 JJGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cccc(Cl)c4)c(C)c32)c1 40822381 WYUKGTKNLVAFBO-ZXVVBBHZSA-N 451.910 4.973 50 10 JJGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(N)=O)cc2OC)ccc1OCc1ccccc1C 40890525 RSSFKUGBCAYAKJ-ZQUUHJABSA-N 498.535 4.602 50 10 JJGE C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/C=C2\N(C)c3ccccc3C2(C)C)cc1 96708679 TVDOBZZYSYKFFL-PEAYYUSZSA-N 488.632 4.882 50 10 JJGE O=C(NN=Cc1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1)c1ccncc1 254513524 FSRZEWOVXARHIC-UHFFFAOYSA-N 466.526 4.837 50 10 JJGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(SC)cc3)nnc2-c2ccccc2)cc1 254717137 ZNXGNHMKMNSKGR-UHFFFAOYSA-N 489.626 4.907 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(S)cc2)[C@@H](CI)C1 382715091 JNNDNGKHSQMRJU-FUHWJXTLSA-N 453.345 4.763 50 10 JJGE O=C(NC1CCC(CCl)CC1)c1cc(Br)ccc1I 388118637 JHDHDJPBGXXFCM-UHFFFAOYSA-N 456.549 4.581 50 10 JJGE CC[C@@H](Br)CCCNC(=O)c1cc(I)ccc1Br 398557214 KWXWXVNTEQQLIL-SECBINFHSA-N 488.989 4.737 50 10 JJGE C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@]1(OC(=O)c1ccco1)C(=O)CCl 504243563 PGAGVJAYRDPYKY-JGTFZRKDSA-N 484.976 4.668 50 10 JJGE C[C@@H]1CCCN(C(=O)c2cc(Br)ccc2I)[C@H]1CCl 688669108 WLWLHNTVGACIEA-RNCFNFMXSA-N 456.549 4.533 50 10 JJGE CCOc1ccc([C@H](Br)c2c(Br)cnn2C)c(Br)c1 693071544 URTPMKCEGCNBSC-LBPRGKRZSA-N 452.972 4.828 50 10 JJGE CCOc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1OC 725379777 RLAFSKQGHGRFCH-MOPGFXCFSA-N 495.357 4.881 50 10 JJGE N#C/C(=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)N1CCN(c2ccccc2)CC1 1084414257 NOVNBEXWTHAVSO-NBVRZTHBSA-N 461.905 4.554 50 10 JJGE CCc1cccc(NC(=O)COC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1 1317691545 FBIDGLSSGRAIBI-XSFVSMFZSA-N 487.947 4.768 50 10 JJGE O=[N+]([O-])c1ccc(Cl)c([C@H]2CN(Cc3ccccc3)C[C@H]2CI)c1 1614702517 SOLJGOQUBROIGD-PBHICJAKSA-N 456.711 4.899 50 10 JJGE C#C[C@@H](NC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccc(F)cc1 1686916654 QIZONTDRHKVJMS-HSZRJFAPSA-N 452.489 4.668 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)c1O 1865684255 OSIHUOSAAZVSKY-QFIPXVFZSA-N 468.488 4.670 50 10 JJGE Cc1ccc(O)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)c1 1865687452 RNXZUBBJIZEIJF-KRWDZBQOSA-N 460.843 4.836 50 10 JJGE CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1 1865704882 GWXFWXVVVMJVOQ-IBGZPJMESA-N 454.452 4.956 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1 1866938038 FTLHDQHZRVUQGL-SGNDLWITSA-N 459.546 4.869 50 10 JJGE CCOc1c(Br)cc(Br)cc1CNC[C@H]1C[C@H](Br)C1 1887942443 LQIHWTKIHCYJCB-HOMQSWHASA-N 456.016 4.873 50 10 JJGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1sccc1Br 1915068633 BLNTUFVJLPVJIP-ZDUSSCGKSA-N 467.248 4.875 50 10 JJGE O=C(NNC(=O)c1ccc(-c2ccccc2)s1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 2069757661 DIXLVTBIXUDCAA-UHFFFAOYSA-N 465.538 4.738 50 10 JJGE CCOC(=O)c1sc(NC(=O)OCc2ccccc2)c(C(=O)OCC)c1CBr 2081068514 DHJHEGVQVVAVLI-UHFFFAOYSA-N 470.341 4.745 50 10 JJGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2Br)[C@H](C)C[C@@H]1Br 2093110548 CRYCGCZYXUEYKG-LNLATYFQSA-N 454.000 4.846 50 10 JJGE CC1(C)C[C@@H](Br)CCN1C(=O)c1ccc(Br)cc1Br 2113585427 FNEKDRHYZUHGQB-JTQLQIEISA-N 454.000 4.990 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CCC(CCCl)CC1 2142288913 VUGYAWKMXALWGZ-UHFFFAOYSA-N 456.549 4.535 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 2218414561 TUWOTFORZPZEGZ-IPMKNSEASA-N 489.748 4.908 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H](Br)CCC12CC2 2220274628 NQINQURUSDSURJ-SSDOTTSWSA-N 458.013 4.805 50 10 JJGE COC(=O)c1c(NC=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)sc(C(C)=O)c1C 2296340298 HSQACEQZWRCZFQ-UHFFFAOYSA-N 467.528 4.875 50 10 JJGE CCCCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(OC)c(Br)c2)cc1 2296808044 NKXZQKQRQIZEGF-UHFFFAOYSA-N 457.324 4.960 50 10 JJGE COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)ccc1OS(=O)(=O)c1ccc(F)cc1 2297506342 GSBNIXXYKVHEAU-UHFFFAOYSA-N 463.490 4.851 50 10 JJGE BrC[C@H](COCc1ccc(I)c(Br)c1)C1CC1 2306305375 WONGBPONHOXUII-LLVKDONJSA-N 473.974 4.991 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1OC 2314611662 YTMMICCCYFBITQ-UHFFFAOYSA-N 496.567 4.805 50 10 JJGE N#CC(=Cc1c[nH]c2ccccc12)C(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 2314656348 KXPQJHWADLBGQW-SFHVURJKSA-N 474.586 4.563 50 10 JJGE N#CC(=CN(Cc1ccccc1)Cc1ccccc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 2325279323 PLXKKHCCBNPVEC-UHFFFAOYSA-N 454.549 4.584 50 10 JJGE CN(C(=O)c1ccc(Cl)cc1I)[C@H](CBr)CC1CC1 2340061594 PKMFEWNDZBEWMI-NSHDSACASA-N 456.549 4.580 50 10 JJGE CC(C)[C@H]1C[C@H](Cl)CN1C(=O)c1ccc(Br)cc1I 2344590552 DNWWDFINZWEBDK-GXFFZTMASA-N 456.549 4.532 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(F)(F)F)CCN1C[C@@]1(CBr)CC1(F)F 2379983394 DUPLXGJUOBHIOU-HUBLWGQQSA-N 465.301 4.574 50 10 JJGE CC(C)(C)OC(=O)NCc1nc2c(s1)CCN(C[C@@](C)(CBr)C(C)(C)C)C2 2380165948 WDFNCJWEOAWEMO-HXUWFJFHSA-N 460.482 4.973 50 10 JJGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(F)c(Br)c2)cc1 27520875 LBRYNFYAHBTHTR-USLDOAAOSA-N 496.336 4.518 50 10 JJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)cc1OC 38680968 ZOZWWUQEYLOAQX-HSZRJFAPSA-N 460.511 4.759 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cccc(C)c1C 40934576 TUQDUPCAANHBQP-FYJGNVAPSA-N 474.513 4.503 50 10 JJGE CCc1ccc(OCCCC(=O)Oc2cccc(/C=C(\C#N)C(=O)OC)c2)c(Br)c1 40944673 YROGZQWCSPQBAL-LDADJPATSA-N 472.335 4.856 50 10 JJGE O=C(c1cc(Br)ccc1I)N(CCCl)Cc1ccccc1 236023923 HKYJZHFIIGJHRS-UHFFFAOYSA-N 478.555 4.935 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N[C@@H](C)CCCCBr)cc1Br 398565779 GBKUXPMGYYISAC-JTQLQIEISA-N 492.071 4.752 50 10 JJGE FC(F)(F)Oc1ccc(Br)c(CBr)c1I 575695502 PEQGJHMVNWIGQJ-UHFFFAOYSA-N 459.825 4.847 50 10 JJGE C[C@@H]1CC[C@@H](CBr)CN1C(=O)c1cc(Cl)ccc1I 708455549 BIYIIMWSQZFHOB-ZJUUUORDSA-N 456.549 4.580 50 10 JJGE C[C@@H]1CCCN(C(=O)c2ccc(I)c(Br)c2)[C@@H]1CCl 721508366 ILWUBDILZPCQTG-NOZJJQNGSA-N 456.549 4.533 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)NCC2(N3CCCCC3)CCCCC2)c(-c2ccccc2)n1 731185060 CNMRBJFMJLFOAI-CLCOLTQESA-N 470.621 4.676 50 10 JJGE CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc3ccccc3OC)c2C)cc1 754780501 WLZHAUXKRHQKFO-QNGOZBTKSA-N 473.529 4.590 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc3c(c2)CCCC3)c(-c2ccccc2)n1 761388395 GXRKUWXODLJXDX-LFVJCYFKSA-N 464.525 4.676 50 10 JJGE CC(C)c1ccc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 1083943363 OCPVKWUWZKCSAR-UHFFFAOYSA-N 469.994 4.809 50 10 JJGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745588 BSTKHZAVLUJJCB-UHFFFAOYSA-N 466.881 4.872 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)c1OC 1865701096 LTCPBYONTGSAAU-KRWDZBQOSA-N 490.869 4.839 50 10 JJGE CCc1cccc(OCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)c1 1865759850 VNQCNCLNXOWFIS-UHFFFAOYSA-N 458.345 4.766 50 10 JJGE O=C(N[C@H](CSC[C@H]1C[C@@H](Br)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1877476356 PCGBNASGCKLYOX-LRAJWGHMSA-N 490.419 4.885 50 10 JJGE CC(C)(C)OC(=O)N[C@H](CBr)Cc1cc(Br)ccc1OC(F)F 1984035575 WYRBFKPCCZGNAJ-NSHDSACASA-N 459.125 4.881 50 10 JJGE CC[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br 1984649242 LJVUXXLQKNKFEC-GFCCVEGCSA-N 465.207 4.926 50 10 JJGE C[C@@H](NC(=O)c1cc(Br)ccc1I)C(C)(C)CBr 2030082234 PNKNUSHZDHIMJD-MRVPVSSYSA-N 488.989 4.593 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Br)sc2Br)CC[C@H]1CBr 2046681103 YEJNHOVWPIYBGH-SFYZADRCSA-N 460.029 4.766 50 10 JJGE C[C@H]1C[C@H](CBr)CCN1C(=O)c1scc(Br)c1Br 2052369100 XEQAIHIRRAHMMV-JGVFFNPUSA-N 460.029 4.909 50 10 JJGE O=C(CBr)c1cc(OC(F)(F)F)c(I)cc1C(F)(F)F 2055163838 WNGPOEFIGCXNOK-UHFFFAOYSA-N 476.936 4.786 50 10 JJGE Brc1cc(I)cnc1N1CC[C@@H]2C[C@H](Br)CC[C@H]21 2069531547 JWJMWVWOQUZNEX-KBVBSXBZSA-N 485.989 4.591 50 10 JJGE Cc1ccnc(-n2nc(CBr)c(I)c2C(F)(F)F)c1C1CC1 2078923539 DDNFZGZPTKIZAK-UHFFFAOYSA-N 486.073 4.971 50 10 JJGE CN(C(=O)c1cccc(Br)c1Br)[C@@H]1CCCC[C@@H]1Br 2092340186 NJVKRUWYDBYQGM-CMPLNLGQSA-N 454.000 4.990 50 10 JJGE Cc1c(Br)c(COc2ccc(Br)c(CBr)c2)nn1C 2093829050 KRQYWOREMPEXAB-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE CC1(C)CC(CBr)(NC(=O)c2cc(Cl)ccc2I)C1 2107260458 COXFMWWOGIQQEE-UHFFFAOYSA-N 456.549 4.628 50 10 JJGE BrCc1ccc(Br)cc1N1CC[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 2129054755 QEALTJTUCXZGCY-LEWJYISDSA-N 480.244 4.824 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@]12CC[S@@](=O)(=NCc1ccc(CBr)cc1)C2 2182855793 QZDFZWDNMRQLGW-DCFHFQCYSA-N 457.434 4.723 50 10 JJGE CC1(C)CC[C@H](CCl)N(C(=O)c2ccc(Br)cc2I)C1 2207273245 SLAOYYXOGKVTLL-LLVKDONJSA-N 470.576 4.923 50 10 JJGE O=C(Cc1ccc(Br)cc1Cl)NCCCCCCI 2229155412 YEKBMKGMHKKAOO-UHFFFAOYSA-N 458.565 4.757 50 10 JJGE Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CCC2(C)C)sc1CBr 2239858717 NOGBCWUTAYAZRI-UHFFFAOYSA-N 471.486 4.627 50 10 JJGE CC(C)[C@H](CCBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277925852 GXESHEKWGDDPLM-ZDUSSCGKSA-N 456.016 4.680 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1CCC[C@H]1CCBr 2295314503 YVKSQQNGBXPLPF-FZMZJTMJSA-N 468.027 4.824 50 10 JJGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314532843 NBRSZBWHTWOOGX-UHFFFAOYSA-N 480.524 4.912 50 10 JJGE COCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(C)=C(C#N)C1=O 2314618304 LAMAJSOWDCRUFC-UHFFFAOYSA-N 471.340 4.811 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccccc2C(C)C)c(OC)c1 2314785145 UQQWGXNHFLIZNA-UHFFFAOYSA-N 450.535 4.626 50 10 JJGE Cc1cc(I)ccc1NC(=O)C(C#N)=CN(Cc1ccccc1)C(C)C 2325405903 ORGIPLKQLDXDBP-UHFFFAOYSA-N 459.331 4.856 50 10 JJGE CC(C)(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc5c(c4)OCCO5)cs3)cc2C1=O 2331330035 MSPKSMQOGVOJPV-UHFFFAOYSA-N 487.537 4.926 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c(OC)c1 2331385821 LARJJVGBTNIPCK-QFIPXVFZSA-N 489.553 4.941 50 10 JJGE CCCCO[C@@H]1[C@@H](Cl)C[C@@H]1Oc1cc(Br)cc(I)c1 2338756915 DYMGURFDFKNHOA-MELADBBJSA-N 459.549 4.998 50 10 JJGE Cn1cc(I)c(C[C@@H](CBr)Cc2ccccc2Br)n1 2341763100 QJPHCXMTWAIPGJ-JTQLQIEISA-N 498.000 4.584 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2CC[C@H]1[C@@H](Br)C2 2349948544 OYNRZKBJFZJAHB-HJIKLVIJSA-N 451.984 4.600 50 10 JJGE Fc1cc(CBr)c(N2CC[C@]3(CN(Cc4ccccc4)CCO3)C2)cc1Cl 2362392607 VWWOITNIOFXCFF-NRFANRHFSA-N 453.783 4.855 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CC[C@@H]2CC[C@H](Br)[C@H]1C2 2365592626 QOZHBFZRBIOPEU-DUFXMDAXSA-N 468.560 4.723 50 10 JJGE CCN(CC)c1ccc(/C=N/NC(=O)CNc2ccc(Br)cc2Br)cc1 3091732 LPRTTWJASWIUDM-FSJBWODESA-N 482.220 4.620 50 10 JJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)C)cc2)c(Br)c1 14832198 CHZVZDIXAYNUBL-MRXNPFEDSA-N 477.399 4.691 50 10 JJGE C/C(=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccco1 16136614 XNDKTESKLFYRRJ-YSMPRRRNSA-N 478.599 4.552 50 10 JJGE CC[C@H](C)c1ccc(OCC(=O)N/N=C(/S)NC(=O)/C=C\c2cccc3ccccc23)cc1 33564175 WLNDRKYPGHSIDM-ZUTYSQTGSA-N 461.587 4.879 50 10 JJGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](C)C3)cc1OC 33853838 VJIJCORJUQPNJL-HNDQUVLASA-N 454.548 4.612 50 10 JJGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1 38682152 XRTJJMYEDMNNNV-DEOSSOPVSA-N 462.502 4.750 50 10 JJGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814646 KXQHWENPAPQBME-JBASAIQMSA-N 497.511 4.696 50 10 JJGE O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl 48573184 GOONRQICNGJJNA-MZJWZYIUSA-N 478.339 4.935 50 10 JJGE Cc1cccn2c(/C=C(/C#N)C(=O)Nc3sc4c(c3C(N)=O)CCCC4)c(-c3ccccc3)nc12 102998687 UJHGGTQOWZMKJC-JXAWBTAJSA-N 481.581 4.895 50 10 JJGE CCN(CC)c1ccc(/C=N\NC(=O)c2cccn(Cc3ccc(C(C)(C)C)cc3)c2=O)cc1 169921126 BJMQBLKYMLRQHV-CEUNXORHSA-N 458.606 4.804 50 10 JJGE CC1(C)CN(C(=O)c2cc(Br)sc2Br)CC[C@@H]1Br 306080425 IANSYPDCKJBMGW-QMMMGPOBSA-N 460.029 4.909 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N[C@H](CBr)C(C)(C)C)cc1Br 393989385 PQQLXUYULNTWSH-GFCCVEGCSA-N 492.071 4.608 50 10 JJGE Cc1cccc(C(=O)N2CCCC[C@H]2[C@@H](C)CBr)c1I 696711022 JRGPBPCIUUIIIR-JSGCOSHPSA-N 450.158 4.625 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc(C)c3)c(OC)c2)cc1 1083938424 KKNXJBMNIUJDTQ-VWLOTQADSA-N 476.573 4.945 50 10 JJGE COc1ccc(C(=O)NN=Cc2c(Br)c(C)n(-c3ccccc3)c2C)cc1OC 1084542728 GNKIFGZNHRRFNS-UHFFFAOYSA-N 456.340 4.638 50 10 JJGE CCOc1ccc(C(=O)NN=Cc2cc(I)c(OC(C)C)c(OCC)c2)cc1 1084561993 RPTPUIKXDOYHLO-UHFFFAOYSA-N 496.345 4.640 50 10 JJGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4cccc5cccnc45)c(C)c32)c1 1772746357 DRFYBBAZRURQAF-UHFFFAOYSA-N 469.497 4.834 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C/c3cc4c(cc3[N+](=O)[O-])OCCO4)n2)c(OC)c1OC 1872795080 MBBVUANFIFENSF-RIYZIHGNSA-N 481.486 4.579 50 10 JJGE Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3cccc(OCc4cccc(Cl)c4)c3)ccc12 1873794052 SBHMUBSVUWCHSH-CCVNUDIWSA-N 476.916 4.863 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccccc1OCc1ccccc1C 1873794684 VBSRXWCFOYFSRS-MWGGWIEZSA-N 453.583 4.964 50 10 JJGE CCN(C[C@](C)(CI)OCc1cscc1F)C(=O)OC(C)(C)C 1993541917 MNLBTQLKPXEASY-INIZCTEOSA-N 457.349 4.855 50 10 JJGE CC1CC(CBr)(CNC(=O)c2scc(Br)c2Br)C1 2065456794 MRDDELSFZGKPKS-UHFFFAOYSA-N 460.029 4.814 50 10 JJGE CCc1nn(CC)c(CC(CBr)(CBr)C2CC2)c1Br 2089700999 OLNIHZIBCWLHIM-UHFFFAOYSA-N 457.048 4.957 50 10 JJGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)CC2CCOCC2)sc1CBr 2123244614 YUFDHYYJPVFEQC-UHFFFAOYSA-N 458.443 4.569 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CCCC[C@H](CCl)C1 2142288405 KDCGTFJQXGJNMW-SNVBAGLBSA-N 456.549 4.535 50 10 JJGE CC1(C)[C@H](CBr)CCN1c1ncc(C(F)(F)F)cc1I 2151555611 LCOPMRPWVDVVCP-QMMMGPOBSA-N 463.079 4.705 50 10 JJGE CC(C)(C)OC(=O)NCc1nc2c(s1)CCN(CC1(CBr)CCCCC1)C2 2163057762 DYHOQHCKKHZLLJ-UHFFFAOYSA-N 458.466 4.871 50 10 JJGE C[C@H](CCCCCI)NC(=O)Cc1ccc(Br)cc1F 2174524003 PFPDSRPQFMLOOM-LLVKDONJSA-N 456.137 4.631 50 10 JJGE C[C@@H](Br)CCCc1cn(Cc2cccc(Br)c2Br)nn1 2189281492 DCZRSAMKQJYRII-SNVBAGLBSA-N 466.015 4.958 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CC[C@]2(CCC[C@H]2Cl)C1 2207266687 GUYDGJJKMFBMMV-UKRRQHHQSA-N 468.560 4.677 50 10 JJGE C[C@@H]1C[C@@H](Br)[C@@H](C)N(C(=O)c2ccc(Br)cc2Br)C1 2227593546 FFZFTCQJMFIGRF-KBVBSXBZSA-N 454.000 4.846 50 10 JJGE C[C@@H]1C[C@@H](Cl)[C@@H](C)N(C(=O)c2ccc(Br)cc2I)C1 2227594481 MKBDTDSTXTWUBS-KBVBSXBZSA-N 456.549 4.532 50 10 JJGE O=C(c1ccc(Br)cc1I)N1C[C@@H](Cl)CC12CCCC2 2241039313 JXIOQDVFCJXJSY-NSHDSACASA-N 468.560 4.820 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCCc2ccccc2F)C1 2263389542 ORILECRTSUWTGV-LJQANCHMSA-N 463.331 4.590 50 10 JJGE C[C@]1(CBr)C=CCCN1C(=O)c1cc(Cl)ccc1I 2264399771 UJHONZJLCPHYJM-CQSZACIVSA-N 454.533 4.500 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1[C@H]2CCC[C@H](Br)[C@H]1CC2 2283657842 DHMZVQINTUTWMP-COPLHBTASA-N 468.560 4.865 50 10 JJGE COc1cccc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)c1OCc1cccc(C)c1 2295672199 AHYMLQSVCJIFER-UHFFFAOYSA-N 456.498 4.535 50 10 JJGE Cc1cc(C=C(C#N)C(=O)OCC(=O)Nc2ccccc2OC(F)F)c(C)n1CCC(C)C 2297356700 QJBZQVJIUBQOFL-UHFFFAOYSA-N 459.493 4.841 50 10 JJGE COc1ccc(CC(=O)Oc2ccc(C=C(C#N)c3ccc(OC)c(OC)c3)cc2)cc1OC 2320506145 CLZGMKMZUDKXOE-UHFFFAOYSA-N 459.498 4.933 50 10 JJGE N#CC(C(=O)CSc1nc(O)c2c3c(sc2n1)CCCC3)=C1Nc2ccccc2S1 2320729538 DGDJHKNLKDFIKL-UHFFFAOYSA-N 452.586 4.890 50 10 JJGE CC(C)COc1ccc(C=NNC(=O)c2ccc(Nc3nc(O)c4ccccc4n3)cc2)cc1 2323766244 QDUBZHFOOMEXNV-UHFFFAOYSA-N 455.518 4.878 50 10 JJGE FC1(F)C[C@]1(CBr)COCc1ccc(Cl)cc1I 2326817481 JYZFOWZURKOLSP-NSHDSACASA-N 451.476 4.882 50 10 JJGE C=CC[C@@H](Br)[C@@H]1CCN1C(=O)c1ccc(Br)cc1Br 2335810307 LYDWRCOWQQMKJZ-YPMHNXCESA-N 451.984 4.766 50 10 JJGE Clc1ccc(CN2CCC(COCCBr)CC2)cc1I 2362379228 LOGPANYMLJDOTN-UHFFFAOYSA-N 472.592 4.568 50 10 JJGE CC(C)(C)OC(=O)NCC[C@@H]1CCN(C[C@@H](Br)C(F)(F)F)[C@@H](C(F)(F)F)C1 2362812578 CORMPEFUEYMGCP-IJLUTSLNSA-N 471.280 4.870 50 10 JJGE CC(C)(C)OC(=O)N1CC2(CCS(=O)(=NC[C@](C)(CBr)C(C)(C)C)CC2)C1 2380189356 GFIMDBYUGJCEMK-IBGZPJMESA-N 465.498 4.933 50 10 JJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 12500703 DMMIMJBCGZXECK-AWEZNQCLSA-N 488.396 4.763 50 10 JJGE COc1cc(C(=O)NN=Cc2ccc(OC)c(COc3ccc(Br)cc3)c2)ccc1O 13322288 ZVFOWQFDPUHFOC-UHFFFAOYSA-N 485.334 4.515 50 10 JJGE CCc1ccc(OCC(=O)N/N=C(\C)c2ccc(Br)cc2)c(Br)c1 13977574 LYKJKQYVHHUNGK-CIAFOILYSA-N 454.162 4.693 50 10 JJGE COc1cc(C(=O)Nc2ccc(/C(C#N)=C\c3ccc4c(c3)OCO4)cc2)cc(OC)c1OC 33381419 DHEFDLODTLMNEC-GRSHGNNSSA-N 458.470 4.758 50 10 JJGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1OC 33777018 FQWGYAGBMQTHTN-ZABCAIROSA-N 472.497 4.529 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1 59167464 KLWRCRCQVGSKRA-AFUMVMLFSA-N 489.018 4.800 50 10 JJGE COc1ccc([C@H](Br)c2csc(I)c2)c(OC)c1OC 124425526 SURJWWMYPYOBES-GFCCVEGCSA-N 469.138 4.863 50 10 JJGE O=S(=O)(N[C@H]1c2ccccc2C[C@@H]1Br)c1cc(Cl)c(Br)s1 137000342 TVZPATAXSLPLQX-CABZTGNLSA-N 471.623 4.503 50 10 JJGE COc1ccc(CCNC(=O)/C(C#N)=C\Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC 216787258 GTDFOKRSNWQVHN-OWBHPGMISA-N 487.400 4.920 50 10 JJGE O=C(COc1ccc(Cl)cc1Cl)NN=Cc1cc([N+](=O)[O-])ccc1N1CCCCCC1 252643573 ZWKSWGLKTFVQGY-UHFFFAOYSA-N 465.337 4.811 50 10 JJGE CCOc1cc(C=NNC(=O)CCCc2ccc(OC)cc2)ccc1OCc1ccc2c(c1)OCO2 254871766 JJQBIYGSGJSGOT-UHFFFAOYSA-N 490.556 4.875 50 10 JJGE COc1ccc(C=NNC(=O)COc2cccc(C)c2C)cc1CN1CCCc2ccccc21 254873910 KOSPSXFERPFJGC-UHFFFAOYSA-N 457.574 4.794 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2cccc(I)c2)[C@@H](CCl)C1 394788888 QKFYMWSIJGSCLS-FUHWJXTLSA-N 455.723 4.882 50 10 JJGE CN(C[C@H]1CCC[C@@H]1Cl)C(=O)c1cc(Br)ccc1I 689329842 FXUHKFMZGSMFFV-SKDRFNHKSA-N 456.549 4.533 50 10 JJGE O=C(NCC1CCC(Br)CC1)c1scc(Br)c1Br 705411421 XPGIBPCWUXKGSX-UHFFFAOYSA-N 460.029 4.957 50 10 JJGE COc1cc(C)ccc1C(=O)COC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 791195523 GDOAAWMZHVSSJA-UYRXBGFRSA-N 488.931 4.767 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2cccc(-n3cccn3)c2)c(-c2ccc(Cl)cc2)n1 915866312 CLHQVLSCHRUEJO-XMHGGMMESA-N 467.920 4.849 50 10 JJGE CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)CC[C@H](O)c3ccc(OCC)cc3)c2C)cc1 1084017480 QNLUQJJGRPHPQM-SANMLTNESA-N 491.588 4.633 50 10 JJGE CCOc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 1084366870 YMNZDQXVUMSSPB-UHFFFAOYSA-N 472.467 4.600 50 10 JJGE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNc2ccccc2F)c1 1151564661 RLGLUHYPWKBSOM-UHFFFAOYSA-N 459.930 4.617 50 10 JJGE C#CCOc1ccc(NC(=O)CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1 1465094601 MSMFJSGROIJIIW-UHFFFAOYSA-N 457.646 4.604 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1O 1865681959 BTTCLSBKDUDVRR-XMMPIXPASA-N 464.525 4.839 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1ccccn1 1865700490 VLQMMCGDYNZPFY-FQEVSTJZSA-N 470.330 4.915 50 10 JJGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccccc1C(=O)O)C(C#N)=C(N)O2 1865704021 KYSDSMUMHBRSBQ-QHCPKHFHSA-N 450.498 4.894 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc(Cl)c1O 1865707169 PPUIQWLNLDPUJG-QFIPXVFZSA-N 458.905 4.920 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1 1866936964 RIBYYPCGERMYFI-VXNXHJTFSA-N 475.545 4.574 50 10 JJGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1C 1872756281 HAXISGPEIGFGDD-JZJYNLBNSA-N 474.498 4.814 50 10 JJGE O=C(N[C@@H](CBr)CC1CCCCC1)c1cccc(I)c1 1926778598 SRNOKCNTWZEJBO-OAHLLOKOSA-N 450.158 4.755 50 10 JJGE O=C(c1csc(Br)c1Br)N1CCC[C@H](CCBr)C1 2032954030 UYTBFPJSUBPECA-MRVPVSSYSA-N 460.029 4.910 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@@H]2C[C@H](C[C@H]2Br)C1 2045143017 VGIIUZJEVXDPRA-GJMOJQLCSA-N 458.013 4.519 50 10 JJGE CC(C)[C@H](Br)[C@H](C)NC(=O)c1ccc(Br)cc1I 2086150074 WMHXGWURWSQJLD-UFBFGSQYSA-N 488.989 4.592 50 10 JJGE COc1cc(C[C@H](Br)c2cccc(Br)c2Br)ncn1 2092335882 RTDZVMFBBXQRLI-NSHDSACASA-N 450.956 4.689 50 10 JJGE CC1CC(CBr)(CNC(=O)c2cc(Br)cc(Br)c2)C1 2128732271 HCDOOZLETHGNRL-UHFFFAOYSA-N 454.000 4.753 50 10 JJGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CO[C@@H]3COC[C@@H]32)c1Br 2138870528 JLXSWXZUVOBMPB-FTUHBYGFSA-N 454.984 4.617 50 10 JJGE CC1(C)C[C@@H](CCl)CN1C(=O)c1ccc(Br)cc1I 2142279942 WXBDZFGWXSWFEW-VIFPVBQESA-N 456.549 4.533 50 10 JJGE CN(C(=O)c1ccc(I)c(Br)c1)C1(CCl)CCSCC1 2171172672 JPFVXCXOOZMJOB-UHFFFAOYSA-N 488.616 4.630 50 10 JJGE O=S(=O)(N[C@H](CCl)c1cccs1)c1cc(Br)ccc1Br 2175669779 XNBNVBJHMUUNSJ-SNVBAGLBSA-N 459.612 4.532 50 10 JJGE O=C(NC[C@@]12CCC[C@@]1(CCl)C2)c1cc(Br)ccc1I 2208039922 NZPWCAXDTBLWLC-GJZGRUSLSA-N 468.560 4.583 50 10 JJGE CC(C)N(C[C@@H]1CCCN(CCCCCI)C1)C(=O)OC(C)(C)C 2214705027 MGTHFZUNYUSOTB-QGZVFWFLSA-N 452.421 4.949 50 10 JJGE CC(C)(C)OC(=O)N1CCC2(CCCCN2CCCCCI)CC1 2214705250 PEUYIGIQDFPGBP-UHFFFAOYSA-N 450.405 4.847 50 10 JJGE Cc1ccc(C(=O)N[C@@H](CBr)C2CCCCC2)cc1I 2232822827 DKFLCUHVULYPNL-HNNXBMFYSA-N 450.158 4.673 50 10 JJGE COc1ccc(CCNC(=O)C(C#N)=Cc2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)cc1OC 2297388114 FOSWWLRKRMEGSR-UHFFFAOYSA-N 499.398 4.830 50 10 JJGE Cc1[nH]n(-c2ccccc2)c(=O)c1C=NNC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 2297748000 NRDZIFWZDGSDNU-UHFFFAOYSA-N 462.594 4.717 50 10 JJGE COc1cc(C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314617893 CPMBWBPFVLUGCF-UHFFFAOYSA-N 454.482 4.660 50 10 JJGE COc1cc2nc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)cc3)nc(O)c2cc1OC 2331039557 PVUGHIGAJAEBES-UHFFFAOYSA-N 453.454 4.636 50 10 JJGE CC[C@@]1(C)[C@H](Br)CCN1C(=O)c1cccc(Br)c1Br 2336767869 YNPHKEXHNXPHBO-RISCZKNCSA-N 454.000 4.990 50 10 JJGE CCC[C@H](Br)c1cn(Cc2cc(I)ccc2Cl)nn1 2352369630 GXNABGIWSJNAOO-NSHDSACASA-N 454.537 4.821 50 10 JJGE O=C(NCc1ccc(CBr)cc1)c1ccc(Cl)cc1I 2365587457 XTBSYJDZKCZTQP-UHFFFAOYSA-N 464.528 4.770 50 10 JJGE CC12CC(C1)[C@@H](CO[C@H](CI)c1cccc(Br)c1)CO2 2365846345 XMVSHYRPHKDXBH-GOPBEWJXSA-N 451.142 4.757 50 10 JJGE CCN(CC)CN1C(=O)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)c2cc(Br)ccc21 20608611 HHJOPWDRWLTZJF-HKOYGPOVSA-N 498.208 4.536 50 10 JJGE Cc1cccn2c(=O)c(/C=C(\C#N)c3nc4ccccc4n3C)c(Oc3ccc(F)cc3)nc12 33584004 VIVFTFYHKOJMSX-SAPNQHFASA-N 451.461 4.885 50 10 JJGE COC(=O)c1ccc(/C=N/NC(=O)c2ccc3c(c2)CN(c2cccc(C(F)(F)F)c2)C3)cc1 33656874 YBBQQJRHBOAOQD-VFLNYLIXSA-N 467.447 4.776 50 10 JJGE CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(NC(=O)[C@@H](Cl)c3ccccc3)c2)NC(=O)N1C 35707612 CCCFPMSDKMHRJV-LEWJYISDSA-N 455.942 4.527 50 10 JJGE COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2cc(C)cc(C)c2)nc2c(C)cccn2c1=O 39858784 OMLYOIWINCLBGX-HKWRFOASSA-N 480.524 4.966 50 10 JJGE Cc1c(C(=O)NCCc2cccs2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811725 YZXKXSRWBURZLD-NLRVBDNBSA-N 455.967 4.746 50 10 JJGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(Cl)c2)CCC3)c(OC)c1 40813326 UGZMAMHHRIMBLL-TURZUDJPSA-N 481.936 4.981 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)cc(C)c1C 40934911 KTRBXQUZQVCNIG-LPYMAVHISA-N 488.540 4.811 50 10 JJGE COc1ccc([C@H](C(=O)NC2CCCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)CCl)cc1 97915015 IBMQVECVHQHBCS-RUZDIDTESA-N 486.996 4.572 50 10 JJGE COCCCOCCC(CBr)(CBr)c1ccc(Br)cc1 232239975 KRMUBLAOCMAMAQ-UHFFFAOYSA-N 473.043 4.920 50 10 JJGE Cc1ccc(C(=O)NCC(=O)NN=Cc2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1 254291275 OZHNQQAPRKPFAQ-UHFFFAOYSA-N 479.536 4.556 50 10 JJGE Cc1ccc(-c2ccc(C=NNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)o2)c([N+](=O)[O-])c1 254617087 IAVXRJKLHPAGDR-UHFFFAOYSA-N 480.480 4.782 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=C/C=C/c3ccccc3OC)n2-c2ccccc2)cc1 254742185 LQUOIGSDNLFFIK-BIGBDEDESA-N 499.596 4.859 50 10 JJGE BrCC(CBr)(COC1CCOCC1)c1ccc(Br)cc1 380368397 QEAMLQGLNXXVEP-UHFFFAOYSA-N 471.027 4.672 50 10 JJGE Cn1ncc([C@@H](Cl)c2c(Br)cc(F)c(F)c2F)c1I 398550699 ZKFMPZCTEGIIMF-MRVPVSSYSA-N 465.438 4.533 50 10 JJGE BrCc1ccc(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)c(Br)c1 404202804 SBJDCTPTEXNEDL-NHCUHLMSSA-N 480.244 4.824 50 10 JJGE O=C1Cc2cc([C@H](Br)c3ncsc3Br)c(Br)cc2N1 698654405 OWDJAMLYLJOSBW-JTQLQIEISA-N 466.980 4.647 50 10 JJGE C[C@@H](Cl)[C@@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 721508920 JFZHEBYEZBQFGE-RNCFNFMXSA-N 456.549 4.676 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)c(-c2ccccc2)n1 914456819 CFHRTNPAEFUWCD-GHRIWEEISA-N 493.308 4.614 50 10 JJGE C[C@H]1CCCN(Cc2ccccc2CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)C1 918583368 FRVFMUSDLQCYPF-PKNRUHJYSA-N 492.627 4.919 50 10 JJGE COc1cc(C=NNC(=O)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc(C(=O)O)cc1 1084381654 ILMJZVPNONZJCB-UHFFFAOYSA-N 462.546 4.639 50 10 JJGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc([N+](=O)[O-])c1O 1084414357 ZFSUFZNRCUEFRU-UHFFFAOYSA-N 470.485 4.839 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865684490 QUNHBMKTBDAZAE-QHCPKHFHSA-N 450.498 4.531 50 10 JJGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1ccc(Cl)cc1 1865692641 HEMBVDJSJPRMPF-QFIPXVFZSA-N 464.953 4.909 50 10 JJGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)c1 1865693415 JQEPTFVIHUCBPR-IBGZPJMESA-N 470.451 4.907 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)c(OC)c1 1865708238 REFLUMMASDJSIS-KRWDZBQOSA-N 476.842 4.780 50 10 JJGE Cc1nncn1C1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)CC1 1868565925 QGICOXDNSXVKCF-UHFFFAOYSA-N 469.578 4.597 50 10 JJGE N#C/C(=C(/O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872747384 ZXCZSXIIMXVBHR-ZZEZOPTASA-N 460.471 4.587 50 10 JJGE COc1cc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1ccc(Cl)c(Cl)c1 1873794555 OIXKFWVEEWTSMZ-IETDBYTCSA-N 496.391 4.944 50 10 JJGE Cc1cc(S(=O)(=O)N2CC[C@]2(C)CCOCc2ccccc2)sc1CBr 1892699613 BUQBSAJPDJAOGG-LJQANCHMSA-N 458.443 4.711 50 10 JJGE Cc1c(Br)csc1C(=O)N[C@@H](CCBr)COCc1ccccc1 1902779258 RRXQAZAZHWWWTI-AWEZNQCLSA-N 461.219 4.919 50 10 JJGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1F 1914352907 KOFOXHZGIKBQAN-GFCCVEGCSA-N 465.182 4.563 50 10 JJGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1916365046 SBKFACAJBNMUDO-CQSZACIVSA-N 467.212 4.594 50 10 JJGE CCN(C[C@](C)(CI)OC(C)(C)C(F)(F)F)C(=O)OC(C)(C)C 1990087202 LINSXSORXZQTTD-AWEZNQCLSA-N 453.283 4.795 50 10 JJGE CC[C@@H](Br)CN(C(=O)c1c(Br)cccc1Br)C1CC1 2107418298 JFHWCQCUNYJOSR-SECBINFHSA-N 454.000 4.990 50 10 JJGE C[C@H](NC(=O)c1cc(Cl)ccc1I)[C@H]1CCC[C@@H]1Br 2111558477 QCGANDVKGBBEKK-XRNSZHNASA-N 456.549 4.627 50 10 JJGE CC(C)[C@@H]1[C@H](Br)CCN1C(=O)c1cc(Br)ccc1Br 2126097407 FSNABYKPJHRVAJ-CHWSQXEVSA-N 454.000 4.846 50 10 JJGE O=C(N[C@@H]1CC[C@@H]2C[C@@]21CBr)c1cc(Br)ccc1Br 2132114908 HBGKQBNDRJQMAG-IHPUGEDLSA-N 451.984 4.505 50 10 JJGE CC1(C)C[C@H](Br)CN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2154838275 YWDKFUBYRXZXQR-QMMMGPOBSA-N 466.022 4.692 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2164664578 RQHSSBMAOPYLRG-CHIMOYNISA-N 466.011 4.990 50 10 JJGE COc1ccc(S(=O)(=O)N(CCC(F)(F)F)Cc2ccccc2)cc1CBr 2179858250 MAUXXPAOWRPNGG-UHFFFAOYSA-N 466.319 4.733 50 10 JJGE CCc1ccc(S(=O)(=O)N(CC)CCCOCc2ccccc2)cc1CBr 2179861760 MBYVSZKUEGDOIA-UHFFFAOYSA-N 454.430 4.761 50 10 JJGE CN([C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21)S(=O)(=O)c1ccsc1CBr 2190549036 WMDNJCSIIWLDRW-XLAORIBOSA-N 470.454 4.647 50 10 JJGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2I)CC[C@@H]1CCCl 2207272267 MWMCNCBVMJSIJT-MNOVXSKESA-N 470.576 4.781 50 10 JJGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)Cc1cccc(Br)c1 2213760219 BTIVIQLIKURQAR-QGZVFWFLSA-N 475.246 4.955 50 10 JJGE C[C@@H]1C[C@H](Br)[C@@H](C)N(C(=O)c2ccc(Br)cc2Br)C1 2227593547 FFZFTCQJMFIGRF-LNLATYFQSA-N 454.000 4.846 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(C)(C)C)CN(CCCCI)C1 2248249687 MORHGMKJBADEAZ-HOTGVXAUSA-N 452.421 4.711 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1[C@H]2CC[C@@H]1C[C@@H](CBr)C2 2283665201 URXQMKMNUSPGJI-WLLOZRIZSA-N 468.560 4.723 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1[C@@H](CBr)CCC12CCC2 2283666577 RBULJVGRQWCZBB-LLVKDONJSA-N 468.560 4.867 50 10 JJGE CCN(CC)C(=O)Cn1cc(C=C(C#N)C(=O)NCc2cccs2)c2cc(Br)ccc21 2313624467 UNEUXDRCMJZWFE-UHFFFAOYSA-N 499.434 4.557 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)C=Cc2ccc(Cl)cc2)c(Br)c1 2313864406 MLVALVLPEROVRF-UHFFFAOYSA-N 465.775 4.640 50 10 JJGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(OC)cc1 2314593707 RQNXYCDBHVIDHE-FQEVSTJZSA-N 488.396 4.730 50 10 JJGE CCCOc1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)cc1[N+](=O)[O-] 2325902490 RSBPWUDZZJQLDI-UHFFFAOYSA-N 463.490 4.735 50 10 JJGE CC(C)(CI)CN1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 2326670789 YFVXTPNHDDMZKN-QGZVFWFLSA-N 464.432 4.807 50 10 JJGE CCCCCOc1ccccc1C=NNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 2328827615 FDCSSMWYDNVDGJ-QFIPXVFZSA-N 453.583 4.842 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)n2)cc1 2331273647 KVYCRJQRDCDJSH-UHFFFAOYSA-N 494.532 4.960 50 10 JJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2c(Br)cccc2Br)[C@H]1C 2344514106 SNVNQGJEWKNUNM-GUBZILKMSA-N 454.000 4.846 50 10 JJGE C=CC[C@@H](Br)[C@H]1CCN1C(=O)Cc1cc(Br)cc(Br)c1 2360964608 QLYRWJGJKKSREQ-ZIAGYGMSSA-N 466.011 4.695 50 10 JJGE COc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1Br 12492727 MRLQGDIIZMQXPK-UHFFFAOYSA-N 484.188 4.593 50 10 JJGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1 38654077 AFVMAPCKZFEWHR-DEOSSOPVSA-N 491.887 4.759 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@H]1c1cccs1 38656189 PNYGNLXSMFJPRJ-LJQANCHMSA-N 453.317 4.948 50 10 JJGE O=S(=O)(NC[C@H](Br)c1ccccc1)c1ccc(Br)cc1Cl 136755638 BTHBVCIBXXQIET-LBPRGKRZSA-N 453.583 4.517 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(/C#N)C(=O)NC2CCCCC2)cc1OC 207157638 ATZZRDAPNBWFER-JCMHNJIXSA-N 470.573 4.971 50 10 JJGE C[C@@H](NC(=O)/C(C#N)=C\NCCc1cccc(Br)c1)C12CC3CC(CC(C3)C1)C2 217059799 TXAXVRLDZBUFRO-NGJDMAORSA-N 456.428 4.710 50 10 JJGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1ccc(Cl)c([N+](=O)[O-])c1 217253861 AMIWCBGROVOIRN-LUAWRHEFSA-N 482.665 4.619 50 10 JJGE C=CCOc1ccc(Br)cc1C(=O)NN=Cc1cc(Br)ccc1OCC 254440977 BUYZWPOLATZWOT-UHFFFAOYSA-N 482.172 4.939 50 10 JJGE Cc1cc(C(=O)CCl)c(C)n1-c1ccc(Br)c(I)c1 305944499 FVINTJJBAIYGTL-UHFFFAOYSA-N 452.517 4.883 50 10 JJGE Cc1nnsc1CC(CBr)(CBr)c1ccccc1Br 311702936 UTOCILSOFNKAJU-UHFFFAOYSA-N 469.040 4.879 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(Cl)cc2O)C1 382675638 PGJFQEYZVIOUPH-WMLDXEAASA-N 471.722 4.833 50 10 JJGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCC(CCCBr)CC1 401173555 XTPQVVIPWBUZLB-UHFFFAOYSA-N 465.660 4.740 50 10 JJGE Cc1ccccc1N(CC(=O)NN=Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 1084628255 LFPCCTPPGIQUJF-UHFFFAOYSA-N 476.385 4.647 50 10 JJGE C=CCC[C@H](NC(=O)NNC(=O)CSc1ccccc1O)c1ccc(C(F)(F)F)cc1 1312340814 COZOIJDTNUWYPR-INIZCTEOSA-N 453.486 4.541 50 10 JJGE CCOc1ccc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc1OC 1614618974 UTUXBYMAHFEIRI-OALUTQOASA-N 451.348 4.745 50 10 JJGE O=[N+]([O-])c1cc(Br)cc([C@H]2CN(Cc3ccccc3)C[C@H]2CBr)c1 1614643327 UQSQXLUZJSOCSL-CRAIPNDOSA-N 454.162 4.968 50 10 JJGE C[C@H](Cl)C(=O)NN=Cc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 1772742822 GXSNAIYHBJHQKK-JTQLQIEISA-N 452.139 4.790 50 10 JJGE COc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Cl)CCC3)c1 1772744596 XTRQPEWQLCIYCH-UHFFFAOYSA-N 451.910 4.973 50 10 JJGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745516 AJVKVDULFVVXIK-UHFFFAOYSA-N 493.947 4.775 50 10 JJGE N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(I)cc1 1866129028 YRAGLTDHXXHVNR-FMIVXFBMSA-N 453.077 4.599 50 10 JJGE CC[C@@](C)(NC(=O)[C@H](Cc1ccncc1)c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866707910 SIHZVCQKHZTXQF-ZEQKJWHPSA-N 458.587 4.905 50 10 JJGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc(OC)c1OC 1872759131 FLUGHWIFYJKCMV-HKWRFOASSA-N 484.530 4.812 50 10 JJGE COC(CBr)(CBr)Cc1cc(I)ccc1Cl 1905045635 YHQHIJQUOFZWTK-UHFFFAOYSA-N 482.381 4.662 50 10 JJGE O=C(CCCCBr)NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 1954646064 JVRMWAPRDGUCEW-UHFFFAOYSA-N 475.383 4.528 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CC[C@@H](Br)CC12CC2 2050646349 LVMURJZVRVWLCR-SSDOTTSWSA-N 458.013 4.805 50 10 JJGE CC[C@H](Br)CN(C(=O)c1cccc(Br)c1Br)C1CC1 2107417660 BBBBEHBDIPTODW-VIFPVBQESA-N 454.000 4.990 50 10 JJGE O=C(c1csc(I)c1)N1CCC[C@@H]2CC[C@@H](Br)C[C@@H]21 2110689038 HGESNLANUCCFFG-JLLWLGSASA-N 454.171 4.521 50 10 JJGE O=C1Cc2cc([C@@H](Br)c3cc(Br)sn3)c(Br)cc2N1 2120040421 QTLBCVQOPDVQTR-GFCCVEGCSA-N 466.980 4.647 50 10 JJGE CN(C[C@@H]1CCC[C@H]1Cl)C(=O)c1ccc(Br)cc1I 2142289651 RZFOSPXTBHKHTD-JOYOIKCWSA-N 456.549 4.533 50 10 JJGE COC1CC(CC[C@@H](Br)c2cc(I)cc3c2OCC3)C1 2160944793 UGVUIXIELSLZKD-JHANDDDOSA-N 451.142 4.867 50 10 JJGE CC(C)(C)[C@@H]1C[C@@H](CBr)CN(C(=O)c2sccc2I)C1 2165001431 LCGKULILUDNCGJ-WDEREUQCSA-N 470.214 4.872 50 10 JJGE Cc1ccc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)CC1CCOCC1 2179789166 MYYPWZSVSJGFIH-UHFFFAOYSA-N 452.414 4.507 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CC2(CCC(Br)CC2)C1 2181089039 UAXBTPOFUFATBG-UHFFFAOYSA-N 468.560 4.724 50 10 JJGE Cc1cc(C(=O)N2CC[C@@H](Br)[C@@H]2C(C)(C)C)ccc1I 2207095675 GUHIGJFBWGHBFA-TZMCWYRMSA-N 450.158 4.624 50 10 JJGE CCCc1nc(Br)c(Br)n1CCCCCI 2211193719 DADFDPMZZMSTSD-UHFFFAOYSA-N 463.983 4.966 50 10 JJGE Cc1c(Br)ccc([C@H](Cl)c2nn(C)nc2Br)c1Br 2219798183 KBHQIDQQVDIJRI-VIFPVBQESA-N 458.379 4.739 50 10 JJGE Cc1ccc(I)c(C(=O)NCC[C@@H]2CCCC[C@H]2Br)c1 2240902153 XEPGHOXUVRMQOO-GXTWGEPZSA-N 450.158 4.673 50 10 JJGE CC1(C)CC[C@H](Br)CN1C(=O)c1ccc(Cl)c(I)c1 2268339300 FVJADPKQHWVDML-JTQLQIEISA-N 456.549 4.723 50 10 JJGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@H]2C[C@@H]23)c1 2277962804 LYKYIAZVMPTKEG-UQGHGMQMSA-N 450.996 4.941 50 10 JJGE O=S1(=O)CCCC[C@H]1[C@@H](Cl)c1c(F)cc(Br)c(F)c1Br 2288353094 JVMWIWKRSOIJGU-GZMMTYOYSA-N 452.542 4.737 50 10 JJGE N#CC(=Cc1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)Nc1cccc(Br)c1 2294156036 GKXFJMGFBMRRPM-UHFFFAOYSA-N 470.106 4.765 50 10 JJGE C[C@]1(CBr)CCCCN1C(=O)Cc1cc(Br)cc(Br)c1 2295317941 UAAFTXDSMCDXTC-OAHLLOKOSA-N 468.027 4.920 50 10 JJGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc(OC)c1OC 2331329982 GTAVOTMUZJWKSA-UHFFFAOYSA-N 452.488 4.557 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1nn(C)nc1Br 2339689260 CJINSTYVUFSYJZ-QMMMGPOBSA-N 476.369 4.878 50 10 JJGE Cl[C@@H]1CCC[C@H]2CN(Cc3ccc(I)c(Br)c3)C[C@@H]12 2349855825 REIOTLLUVFSUTN-OUCADQQQSA-N 454.577 4.893 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2CC(Cl)C[C@@H](C2)C1 2364237573 FPSUSPSBPKWSSP-NXEZZACHSA-N 468.560 4.533 50 10 JJGE C[C@@H](Br)CN(C(=O)c1cc(I)ccc1F)C1CCCC1 2368852136 VSNBWKHPDXDSIZ-SNVBAGLBSA-N 454.121 4.599 50 10 JJGE O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)NNC(=O)c1cccc(Cl)c1 39852953 VSZRFAGBTJJGMO-UHFFFAOYSA-N 450.901 4.806 50 10 JJGE CCn1c(NNC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)nc2ccccc2c1=O 46538943 MPGCJRKWOAPJFG-SAPNQHFASA-N 494.530 4.565 50 10 JJGE CCCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(C)cc2Br)cc1 100153700 BWJNNFSUIRQJTL-UHFFFAOYSA-N 477.399 4.947 50 10 JJGE O=C1NCCOc2ccc([C@H](Br)c3cc(Br)c(Br)s3)cc21 228232850 LOVTVFAJUYZQKL-LBPRGKRZSA-N 496.018 4.880 50 10 JJGE O=C(NN=C(CC(=NNC(=O)c1ccccc1)C(F)(F)F)c1ccccc1)c1ccccc1 252629708 ULYZFCFUNUQLPI-UHFFFAOYSA-N 452.436 4.559 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2ccc(C)cc2)cc1 254444077 MIDAJCGLSXSQJJ-UHFFFAOYSA-N 495.535 4.855 50 10 JJGE Oc1cc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)ccc1Br 382677549 YWNSZBZMOFXIEI-HZPDHXFCSA-N 472.164 4.805 50 10 JJGE C[C@H]1CN(C(=O)c2cc(Br)cc(Br)c2)C[C@@H](C)[C@@H]1Br 688077605 YPVWJGVQRCZVRU-WOFXILAISA-N 454.000 4.703 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)c(C)n1C1CCCCC1 728088582 KKYDGYALYZTNOE-AGKWGAAGSA-N 475.545 4.663 50 10 JJGE O=C(NCCc1c[nH]c2cc(F)ccc12)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F 747996375 DWPVWDFHOAWKPD-LJQANCHMSA-N 473.879 4.824 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)c(-c2ccccc2)n1 920297057 GHQNIGWOHUGCIP-FEIUFXGUSA-N 465.557 4.655 50 10 JJGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 1084326260 AJHDFYLUACGZAO-JOCHJYFZSA-N 497.935 4.800 50 10 JJGE C/C(=C/C(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 1151638475 MFORFYYOEBYCMN-KHPPLWFESA-N 452.376 4.546 50 10 JJGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711117 PZYICMIGHQVBLM-QFIPXVFZSA-N 480.952 4.722 50 10 JJGE N#C/C(=C(/O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc3ccccc3c2)cs1 1872745381 KRGXLLVBUCLVDO-XDOYNYLZSA-N 482.477 4.960 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H](CBr)C2(CCC2)C1 1914497716 QEBFRJTUSGDVQW-MRVPVSSYSA-N 472.040 4.910 50 10 JJGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)Cc1cnn(Cc2ccccc2)c1 1915293112 ITSITAXYDPWUAC-QHCPKHFHSA-N 454.412 4.922 50 10 JJGE C[C@H]1C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 1985347458 SGEBPEHJSGJXTQ-IRXDYDNUSA-N 463.710 4.518 50 10 JJGE Cc1c(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)nn(C)c1Br 2002828930 JURRZMVYHPBUJG-OAHLLOKOSA-N 457.210 4.553 50 10 JJGE CCCn1c(C)cc(C(=O)C(C#N)=Cc2ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c2)c1C 2040448441 SAQQKGMSHKZVMY-LJQANCHMSA-N 451.567 4.559 50 10 JJGE COCc1cc(Br)c([C@@H](Br)c2cn(C)nc2Br)s1 2052974611 ADYSTROSOGZGSO-VIFPVBQESA-N 459.001 4.637 50 10 JJGE C[C@@]1(CCBr)CCN(C(=O)c2scc(Br)c2Br)C1 2068171939 YJYQUJCHNSDGON-GFCCVEGCSA-N 460.029 4.910 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H](Br)CC2(CCC2)C1 2151348761 TYOVJLKBCALXFJ-NSHDSACASA-N 468.560 4.724 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N[C@@H](C)[C@@H](Br)C(C)C)cc1Br 2159246862 SQKOOUUPUMRWCT-ZANVPECISA-N 492.071 4.606 50 10 JJGE Cc1c([C@@H](Br)c2cc3c(cc2Br)OCC3)nn(C)c1Br 2168219020 VWLWCERNVCFJSH-LBPRGKRZSA-N 464.983 4.673 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CC[C@@H]2C[C@@H](Cl)CC[C@H]21 2207260872 IPNFHXDXIRZKIJ-OLUVUFQESA-N 468.560 4.676 50 10 JJGE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCCSSCCNC(=O)OC(C)(C)C 2247948855 CTQBQEXGQFLVGA-ROUUACIJSA-N 477.737 4.764 50 10 JJGE CC(C)(C)OC(=O)NCC[C@@H](N(CCCCI)C1CC1)C(F)(F)F 2248240169 BHKBEJIVCOQUFI-CYBMUJFWSA-N 464.310 4.512 50 10 JJGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Br)c2)cc(OCC)c1OCC(=O)O 2294147013 UZIBTFAAYDITBQ-UHFFFAOYSA-N 485.334 4.585 50 10 JJGE CC(=NNC(=O)C(=Cc1ccc(N(C)C)cc1)NC(=O)c1ccccc1)c1ccc2c(c1)CCCC2 2295103356 MPDMINWINCZHMS-UHFFFAOYSA-N 480.612 4.943 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@@H]1CCC[C@H](Br)C1 2295315669 OPHKUWDAELEWMM-PWSUYJOCSA-N 468.027 4.824 50 10 JJGE COc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCCc3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 2296837196 OEDNAHUVGQSQNH-SANMLTNESA-N 497.620 4.789 50 10 JJGE Cc1sc2ncn(CC(=O)C(C#N)=C3Nc4ccccc4S3)c(=O)c2c1-c1ccccc1 2320729576 UZYIABDADMHROR-UHFFFAOYSA-N 456.552 4.956 50 10 JJGE C[C@H]1C[C@@H](C(F)(F)F)N(CC(C)(C)CI)CCN1C(=O)OC(C)(C)C 2326669887 QZGODPHSWRVPGE-STQMWFEESA-N 478.337 4.710 50 10 JJGE COc1ccc(C=NNC(=O)[C@@H](N)Cc2ccccc2)cc1OCc1ccc(Cl)cc1Cl 2328798643 BIOAOMCWHBWHSV-NRFANRHFSA-N 472.372 4.601 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)Nc2cccc(Cl)c2)c(Br)c1 13982591 JWMCDQWTIVQDFI-UHFFFAOYSA-N 454.752 4.632 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc(OC)c1OC 38660459 BZYGCMSQIXOZLS-HSZRJFAPSA-N 492.915 4.803 50 10 JJGE N#C/C(=C\c1ccc(OC(=O)CCCOc2ccc(Cl)cc2)cc1)C(=O)NCc1ccco1 40935111 OCDFUVGILPAYAY-XDJHFCHBSA-N 464.905 4.921 50 10 JJGE CCOc1ccc(/C=N/NC(=O)/C(=C/c2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2)cc1 214375718 NKBBZJJEDOLQFV-OMQPNUEVSA-N 484.600 4.853 50 10 JJGE CC(=NNC(=O)COc1c(C)cccc1C)c1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 254742706 QEVFKYLTYNVTMW-UHFFFAOYSA-N 456.757 4.531 50 10 JJGE Fc1cc2c(cc1I)nc(CCCl)n2Cc1cnn(Cc2ccccc2)c1 390453895 ZGGMSYWVGHKHQX-UHFFFAOYSA-N 494.739 4.854 50 10 JJGE O=C(N[C@H]1CCCC[C@H]1CBr)c1scc(Br)c1Br 705409561 MQDFGWNCVWIDIL-CBAPKCEASA-N 460.029 4.957 50 10 JJGE O=C(Nc1cc(I)cc(I)c1)[C@H](Cl)c1ccccc1 709833232 YDQVRROKECFOID-CYBMUJFWSA-N 497.501 4.814 50 10 JJGE O=C(NC[C@H]1CCCC[C@H]1Cl)c1ccc(I)c(Br)c1 721623837 VJBPOOFTJAIQSO-ZYHUDNBSSA-N 456.549 4.581 50 10 JJGE C[C@@]1(CCl)CCCCN1C(=O)c1ccc(I)c(Br)c1 722992595 VQBPVYUXVBRDKU-AWEZNQCLSA-N 456.549 4.677 50 10 JJGE CN(Cc1ccc(C#N)cc1)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 914491117 DJTDKOKNOOWCKY-BKUYFWCQSA-N 454.921 4.554 50 10 JJGE COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C=NNC(=O)c2cccnc2)c1 1084038162 LVIJYQYKDGVTQX-UHFFFAOYSA-N 460.368 4.573 50 10 JJGE C/C(=C\c1cccc(Cl)c1)C(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1 1464569382 ZDCGXBHTJSGIBY-GZTIXLHPSA-N 459.977 4.518 50 10 JJGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc([N+](=O)[O-])s2)c([N+](=O)[O-])c1 1565517605 REHZKUBNNAOCMF-UHFFFAOYSA-N 462.528 4.807 50 10 JJGE Cc1ccc(S(=O)(=O)NNC(=O)c2cc(Cl)ccc2Nc2ccc(Cl)cc2)cc1 1614301001 LPTIHJHQWWLEPG-UHFFFAOYSA-N 450.347 4.669 50 10 JJGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c(OC)c2)cc1 1615066099 MRISRSGNVSZPGZ-GIJQJNRQSA-N 475.413 4.804 50 10 JJGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 1865682022 DEUIYEABPVWDTQ-KRWDZBQOSA-N 459.706 4.954 50 10 JJGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccncc2)C(C#N)=C(N)O3)cc1 1865702655 YLVOCLLRVXMOKG-OAQYLSRUSA-N 455.905 4.814 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1ccccc1C(=O)O 1865703750 DVDRTTYHVLNEMS-JOCHJYFZSA-N 466.472 4.654 50 10 JJGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865706810 GBNHVJNIDGSJCZ-NRFANRHFSA-N 450.926 4.714 50 10 JJGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1F 1865710403 XFYJJYHJURQOMN-QHCPKHFHSA-N 452.489 4.964 50 10 JJGE Cn1cc([C@@H](Br)c2sc(Cl)cc2I)c(Br)n1 1901029720 XXQDTMLWTWVSMR-SSDOTTSWSA-N 496.393 4.986 50 10 JJGE O=C(NCC1CCC(CBr)CC1)c1ccc(I)c(Cl)c1 1922696414 KDLLPFHLCGNCHL-UHFFFAOYSA-N 470.576 4.876 50 10 JJGE COc1cc(-n2nc(CBr)c(Br)c2C(F)(F)F)nc(C(F)(F)F)c1 2078909972 NRBZYTIPPUQVTQ-UHFFFAOYSA-N 483.004 4.971 50 10 JJGE O=C(c1csc(I)c1)N1CCC[C@@H]2CC[C@@H](Br)C[C@H]21 2110689040 HGESNLANUCCFFG-YUSALJHKSA-N 454.171 4.521 50 10 JJGE ClC1CCC2(CC1)CCN(c1ncc(I)cc1Br)C2 2133385870 XPXYOQFNACPMFP-UHFFFAOYSA-N 455.565 4.827 50 10 JJGE COc1cc(C[C@@H](Br)c2ccc(Br)cc2I)ncn1 2142285949 WVKQECLDGDGQNN-LLVKDONJSA-N 497.956 4.531 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](Br)CCC12CC2 2227495649 LOVNACMSDBZXDM-JTQLQIEISA-N 498.984 4.586 50 10 JJGE C[C@H](CBr)CC1CN(C(=O)c2cc(Br)ccc2Br)C1 2230534543 CNBXSNMLFJYNQL-VIFPVBQESA-N 454.000 4.705 50 10 JJGE Cc1cc2c(cn1)nc(CCl)n2-c1ccc(Br)cc1I 2240288455 BTYIEJGWYRBUCU-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE CC(C)(C)OC(=O)NCC[C@@H](N(CC1(CBr)CC(F)C1)C1CC1)C(F)(F)F 2280360268 SYDHEBWMAAEFES-KDJCLPLCSA-N 461.338 4.810 50 10 JJGE C[C@H](Br)CN(c1ncc(C(F)(F)F)cc1I)C1CCC1 2287959193 VQYQTPXJLOQROG-QMMMGPOBSA-N 463.079 4.847 50 10 JJGE CC(C)(CI)CN=[S@@](C)(=O)c1cccc(NC(=O)OC(C)(C)C)c1 2306815416 KDAWVBLWQFBDLO-DEOSSOPVSA-N 466.385 4.952 50 10 JJGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593878 VKFIQWBVRUJWBN-HSZRJFAPSA-N 475.545 4.724 50 10 JJGE COc1ccc(Br)cc1C(=O)N[C@H](CCBr)COCc1ccccc1 2320361607 SUYOODLGFBECAE-MRXNPFEDSA-N 471.189 4.558 50 10 JJGE CCOc1ccc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2324599250 BXABFBGKXJVGFD-UHFFFAOYSA-N 466.585 4.838 50 10 JJGE C[C@H]1CCCN(C(=O)c2ccc(Cl)cc2I)[C@@H]1CBr 2340057663 NRHHTMLYGWJGFS-TVQRCGJNSA-N 456.549 4.580 50 10 JJGE BrC[C@@H](Cc1ccc(Br)cc1)Cc1ncc(I)cn1 2353297394 RAVJMYYHBHHQEB-NSHDSACASA-N 495.984 4.640 50 10 JJGE COc1ccc([C@H](Br)[C@H]2C[C@](OC)(C(F)F)C2)cc1I 2368977325 YMTGHSSUTUFKKD-DUFXMDAXSA-N 461.084 4.796 50 10 JJGE Cc1ccc(CSCC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1 13108912 YZXMSWHOSVYCEE-UHFFFAOYSA-N 461.587 4.704 50 10 JJGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)c1ccc(OCCC(C)C)cc1 14643375 ZDKNWXGBMLPFFT-KRWDZBQOSA-N 477.399 4.719 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)ccc1OCC(=O)Nc1nccs1 35520038 DBMSZRXVMKIXRI-UDWIEESQSA-N 484.537 4.868 50 10 JJGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)C1=O 38607649 WCHCNMPSFADSFK-BUVRLJJBSA-N 464.525 4.635 50 10 JJGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1Oc1ccc2ccccc2c1 40687853 CMOXMLDFUVVTFO-UHFFFAOYSA-N 450.296 4.524 50 10 JJGE O=C(N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21)c1ccccc1 40846219 KJRJIYJYSYSAPN-QQTULTPQSA-N 468.738 4.783 50 10 JJGE CCCOc1ccccc1/C=C(\C#N)C(=O)Oc1ccc(/C=C(\C#N)C(=O)OCC)cc1OCC 40949048 DNCKOXLOIFFJHS-KTWAZNHYSA-N 474.513 4.857 50 10 JJGE O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc([N+](=O)[O-])cc1 59384074 YKUMTHMEPFCHPB-YDZHTSKRSA-N 454.280 4.700 50 10 JJGE COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C(=O)CCl)cc1OC 97914576 LARUFUUSSOBPRF-DEOSSOPVSA-N 476.976 4.601 50 10 JJGE O=S(=O)(Nc1ccccc1CBr)c1cc(Br)ccc1Br 136819561 OWBLVROKLDAOFZ-UHFFFAOYSA-N 484.007 4.907 50 10 JJGE O=S1(=O)CCCC[C@@H]1[C@@H](Br)c1cc(Br)sc1Br 169049078 KITHYENZSDYDAS-APPZFPTMSA-N 467.042 4.676 50 10 JJGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCCC)c(OC)c2)c(OC)c1 206503114 RJFYZBPZZDRYEQ-SYHWEURASA-N 478.545 4.545 50 10 JJGE O=C(Cc1cccc2ccccc12)NNC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 206900383 BGTGLJJGHQCCJR-WADIDORASA-N 455.396 4.654 50 10 JJGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(C)cc2C)c(OC)c1 207144337 KDATWRVHOSLGKW-JWGURIENSA-N 464.562 4.900 50 10 JJGE CC[C@@](C)(CCBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 228584812 ZOSFWDFTKYFKSB-ZDUSSCGKSA-N 492.071 4.752 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H]1CBr)c1cc(Br)cc(Br)c1 232467705 RNAMBAUUMVMEIM-ZJUUUORDSA-N 454.000 4.753 50 10 JJGE Cn1ncc([C@@H](Cl)c2cc(Br)c(Cl)s2)c1I 379208928 LWZOBVCLFQRBKO-SSDOTTSWSA-N 451.942 4.830 50 10 JJGE O=S(=O)(N[C@H](CCBr)C1CCCC1)c1cc(Cl)c(Br)s1 725110807 GUOKGKLSASEFDZ-SNVBAGLBSA-N 465.660 4.786 50 10 JJGE O=C(NC[C@@H]1CCCCO1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238921 YRBMKKJNNIBVJG-LPHOPBHVSA-N 474.932 4.765 50 10 JJGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)NN=Cc1ccc(Cl)cc1Cl 1084088309 BZCQFYZWRUINKD-UHFFFAOYSA-N 474.417 4.799 50 10 JJGE CC(=O)c1cc(Br)ccc1OCC(=O)NN=C(c1ccccc1)c1ccccc1 1352783750 BBUGMGKIAOAWRC-UHFFFAOYSA-N 451.320 4.599 50 10 JJGE C=CCOCCNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1C 1540161923 IZTDXFFOVRXWBU-BOPFTXTBSA-N 451.876 4.992 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccc([N+](=O)[O-])cc2Cl)C1 1614635991 MZHBXZWEZREQPJ-MFKMUULPSA-N 466.703 4.634 50 10 JJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865687196 LSTUTCBUAFQLTK-DEOSSOPVSA-N 480.524 4.789 50 10 JJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865698032 ILGXGOALXKZVBP-FQEVSTJZSA-N 469.328 4.731 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)c1OC 1865700651 AGAZRTAACVMPKS-LJQANCHMSA-N 484.478 4.802 50 10 JJGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865707648 CEOLSUNZIUPXPE-NRFANRHFSA-N 450.926 4.714 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865713177 SVCRIPQUDIFQBO-MRXNPFEDSA-N 493.804 4.869 50 10 JJGE CC[C@@](C)(NC(=O)Cc1ccc(C)c(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867232340 RXBOPCDEHYRKBO-OAQYLSRUSA-N 460.397 4.797 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)c(OC)c1 1872755590 VLDPJHVEFPIOND-BJUXRVGASA-N 461.543 4.669 50 10 JJGE FC(F)COCC(CBr)(CBr)c1ccccc1Br 2031857649 LEWPHHFIKIEURC-UHFFFAOYSA-N 450.943 4.758 50 10 JJGE C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NN=CC=C2N(C)c3ccccc3C2(C)C)cc1 2040453905 TVDOBZZYSYKFFL-NHCUHLMSSA-N 488.632 4.882 50 10 JJGE C[C@@H]1C[C@H](Br)CCN(C(=O)c2scc(Br)c2Br)C1 2041563776 QDNUREBJMAWLBW-HTQZYQBOSA-N 460.029 4.909 50 10 JJGE O=C(NC[C@]1(F)C[C@@H](CBr)C1)c1cc(Br)sc1Br 2049529573 QXYHRCAMMXCSJW-JCJUMFQOSA-N 463.992 4.516 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CC[C@H](Br)[C@@H]2CC[C@H]21 2069991362 MOZRILJNTQBWRI-ACLDMZEESA-N 458.013 4.661 50 10 JJGE C[C@@H]1C[C@H](Br)CCN(C(=O)c2ccc(Br)cc2Br)C1 2103287652 QCOHGAIHSIZTIR-MWLCHTKSSA-N 454.000 4.847 50 10 JJGE O=S(=O)(c1cc(CBr)ccc1F)N(CCC(F)(F)F)Cc1ccccc1 2123198887 KOWFRCLJIPTXRE-UHFFFAOYSA-N 454.283 4.864 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@H](Br)[C@@H]1C1CC1 2130608423 SXGKPQCQXXZSCM-AAEUAGOBSA-N 451.984 4.600 50 10 JJGE FC1(F)C[C@@]1(Br)Cn1c(CCl)nc2cc(I)ccc21 2137781934 XAOQQNRYOOSDBZ-LLVKDONJSA-N 461.475 4.552 50 10 JJGE CC1(C)CCC[C@]1(CBr)NS(=O)(=O)c1cc(Cl)c(Br)s1 2150554126 DWVFTCRLPFTFTD-GFCCVEGCSA-N 465.660 4.786 50 10 JJGE O=C(c1ccc(F)cc1I)N(CCBr)Cc1cccs1 2171089960 BDGDDHCBURCGCR-UHFFFAOYSA-N 468.129 4.529 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1[C@H]2CC[C@@H]1C[C@@H](CBr)C2 2184573513 GFUXIZRICKULBH-WLLOZRIZSA-N 466.011 4.990 50 10 JJGE CC(C)(C)[C@H]1[C@@H](Cl)CCN1C(=O)c1cc(Br)ccc1I 2185114083 NXDFCOXFRFLENW-WCQYABFASA-N 470.576 4.922 50 10 JJGE O=C(c1cscc1OCc1ccccc1)N1CCOC2(CCC(Br)CC2)C1 2190043985 IHOWAQOPOGIZEP-UHFFFAOYSA-N 450.398 4.876 50 10 JJGE Cc1cc(S(=O)(=O)N2CC[C@]2(C)CCOCc2ccccc2)ccc1CBr 2197755447 SUZNRNAUIBUUIO-OAQYLSRUSA-N 452.414 4.650 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@H](C(F)(F)CBr)C1 2197762769 KAHDIEOALTYKFG-QMMMGPOBSA-N 475.953 4.704 50 10 JJGE C[C@]1(CBr)C=CCCN1C(=O)c1cc(Br)ccc1I 2264398755 KNAULGDIHVTXIQ-CQSZACIVSA-N 498.984 4.609 50 10 JJGE O=C(N[C@H]1CCCCC[C@@H]1Br)c1ccc(Cl)c(I)c1 2268351930 XUCLXHKFFUJPKX-GWCFXTLKSA-N 456.549 4.771 50 10 JJGE C[C@H]1C[C@H](Br)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2277934501 JMJFZLPAMKHKHH-GXSJLCMTSA-N 454.000 4.529 50 10 JJGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314594000 XIDPVJMLZAQYRO-XMMPIXPASA-N 487.581 4.729 50 10 JJGE Brc1cc(CN2[C@H]3CC[C@@H]2C[C@H](Br)C3)ccc1I 2325227192 XVKNSZCGZQWXDG-ZSBIGDGJSA-N 485.001 4.944 50 10 JJGE COc1cc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1ccc(C(C)(C)C)cc1 2328818695 ODDNHYNDHSAMNB-SFHVURJKSA-N 483.609 4.935 50 10 JJGE C[C@H](Br)C[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1I 2340058363 QTXWLLYUFXZJOG-ONGXEEELSA-N 456.549 4.723 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1[C@H]2CCC[C@H]2C[C@@H]1CBr 2354694365 RQHSSBMAOPYLRG-PXWWUCIGSA-N 466.011 4.990 50 10 JJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cc(Br)c(O)c(OC)c2)sc(C)c1C 14151354 GZWZVJKVOXYXIT-AWNIVKPZSA-N 479.352 4.564 50 10 JJGE O=C(Nc1ccccc1C(=O)N/N=C\c1c[nH]c2ccccc12)c1ccccc1Br 20073425 JNFYHHYJWMTKNF-WGARJPEWSA-N 461.319 4.947 50 10 JJGE O=C(NNc1ncnc(NC23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-])c1cccc2ccccc12 40621667 CKIQEKNKWLAGEK-UHFFFAOYSA-N 458.522 4.676 50 10 JJGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cccc5ncccc45)c(C)c32)cc1 40813904 PGPZGLXPZUABGH-JBASAIQMSA-N 468.513 4.868 50 10 JJGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)O)c(Br)c2)cc1 59335221 UDDYNZLCETWGPE-MLPAPPSSSA-N 494.139 4.529 50 10 JJGE COc1ccc(CCN(C(=O)CCl)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1OC 97914581 WCXCYTIUXJFUHU-RUZDIDTESA-N 491.003 4.643 50 10 JJGE N#C/C(=C/Nc1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 100479788 YOBVLONUCAFUEE-RAXLEYEMSA-N 461.415 4.709 50 10 JJGE COC(=O)/C(C#N)=C/c1cccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)c(OC)c2)c1 206687865 VIGRIEVDZBKKBS-QHRVDUORSA-N 469.493 4.973 50 10 JJGE O=C(NC[C@@H]1CCC[C@H](Br)C1)c1cc(Br)ccc1Br 227756818 SKTIOSXJHOAYKL-ZJUUUORDSA-N 454.000 4.895 50 10 JJGE CC(C)(C)[C@H](CCBr)NS(=O)(=O)c1cc(Cl)c(Br)s1 231187002 JOIKGJGJAPLKOT-QMMMGPOBSA-N 453.649 4.642 50 10 JJGE CCCC(=O)[C@@H](Br)Cc1ccc(I)cc1Br 300905625 NNAJHNDULQKOFW-NSHDSACASA-N 459.947 4.729 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CCC(CCCBr)CC1 401045861 GOWKDIWVSPWLHF-UHFFFAOYSA-N 470.576 4.972 50 10 JJGE FC(F)(F)Oc1cc(CBr)c(I)cc1Br 575690863 DNDXWDHQLGTZNS-UHFFFAOYSA-N 459.825 4.847 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N(C)C(C)(C)CCBr)cc1Br 688318124 CTPGEARUOQKVGG-UHFFFAOYSA-N 492.071 4.704 50 10 JJGE O=C(NN=Cc1cc([N+](=O)[O-])cc(Br)c1O)c1cc2c(ccc3ccccc32)o1 1084536139 PFGWDNOWPPSHMH-UHFFFAOYSA-N 454.236 4.726 50 10 JJGE CCc1ccc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 1084584067 YCWMZBPDHSNTNR-UHFFFAOYSA-N 463.603 4.718 50 10 JJGE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NNC(=S)Nc1ccc(OC(C)C)cc1 1651315941 YQCRPSWLUQUBML-WYMLVPIESA-N 453.486 4.794 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cccc(OC)c1O)C(C#N)=C(N)O2 1865684740 XCGRHRRLYDQELY-IBGZPJMESA-N 481.350 4.520 50 10 JJGE Cc1ccc(O)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)c1 1865686866 CUYVHBDKMJPJRQ-INIZCTEOSA-N 491.267 4.886 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 1865709797 HAASOVOTTRVTCX-HXUWFJFHSA-N 467.888 4.803 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)c(C)c1C 1872753537 BVQIZMSGARSKES-RHNCAKJLSA-N 459.527 4.913 50 10 JJGE C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 1873794297 BZSNSTJVJSXZMZ-PYWPZVNCSA-N 465.525 4.921 50 10 JJGE CC[C@H](C)[C@H](CI)NC(=O)c1cc(Br)sc1Br 2023038202 SRELNVDKYDKDHE-XPUUQOCRSA-N 495.018 4.853 50 10 JJGE C[C@H]1C[C@H](Br)[C@H](C)CN1C(=O)c1csc(Br)c1Br 2032953567 LQYLDHQFFJWYMX-FJXKBIBVSA-N 460.029 4.907 50 10 JJGE Fc1cc(-n2nc(CCl)c(I)c2C(F)(F)F)c(F)c(F)c1F 2079210524 TWRQZMLCWRBRNU-UHFFFAOYSA-N 458.502 4.791 50 10 JJGE O=C(N[C@H](CBr)CC(F)(F)F)c1cccc(Br)c1Br 2092329004 QYPBBDRXCWPWRD-LURJTMIESA-N 467.905 4.657 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@@H](Br)C2(CC2)C1 2093181289 TYABXXNFSVJFHI-GFCCVEGCSA-N 451.984 4.601 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@@](=O)(=NC[C@@H](CBr)C(C)(C)C)C2 2106787726 KAVGDOAIIRFMRT-CMWQGSDOSA-N 451.471 4.685 50 10 JJGE Cn1nc(C[C@H](CBr)Cc2cccc(Br)c2)cc1Br 2111923911 CIVNOYKZFPIMPG-LLVKDONJSA-N 451.000 4.741 50 10 JJGE COc1c(Br)cc(C)cc1[C@@H](Br)c1c(Br)cnn1C 2139011781 UHYCZDWNNISLNN-LLVKDONJSA-N 452.972 4.746 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CC2(CC[C@H]1CCl)CC2 2154164402 SENFCOPUBLAJHG-NSHDSACASA-N 468.560 4.677 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CCC([C@@H](F)CBr)CC1 2163246811 SMFVCNTVDUQLGD-ZDUSSCGKSA-N 471.990 4.797 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2164658933 KISJIHKLWDZIJV-CHIMOYNISA-N 466.011 4.990 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC2(CCC(Br)CC2)C1 2181083163 IYJJGMBSHDOQMX-UHFFFAOYSA-N 466.011 4.991 50 10 JJGE CC(C)[C@H](CCl)N(Cc1ccccc1)S(=O)(=O)Cc1ncsc1Br 2213759242 DZVXDYVOZOHEAR-HNNXBMFYSA-N 451.839 4.501 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H](Br)CCC12CC2 2220269534 JVKXAWQFWRICIO-SSDOTTSWSA-N 458.013 4.805 50 10 JJGE C[C@@H]1C[C@@H](Br)[C@@H](C)N(C(=O)c2c(Br)cccc2Br)C1 2227598470 IDJPCFZALKNYHL-KBVBSXBZSA-N 454.000 4.846 50 10 JJGE Cc1ccc(I)c(C(=O)NCC2(CBr)CC(C)(C)C2)c1 2240924861 WAQBKDLPZALHGM-UHFFFAOYSA-N 450.158 4.531 50 10 JJGE O=C(N[C@@H](CBr)CC1CCCC1)c1c(F)cccc1I 2282810227 RJGQCPOMTLIZLY-LLVKDONJSA-N 454.121 4.504 50 10 JJGE CC1(C)C[C@H](Br)CCN(C(=O)c2ccc(Cl)c(I)c2)C1 2283665037 SQFYCFBCPVHCMK-LLVKDONJSA-N 470.576 4.970 50 10 JJGE CC[C@H]1[C@@H](CBr)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2295307577 LLPJYZKIDBAQRK-RISCZKNCSA-N 468.027 4.776 50 10 JJGE C[C@@H](Br)CN(C(=O)Cc1cc(Br)cc(Br)c1)C1CCC1 2295313472 KIBKIWPAVBDCMO-SNVBAGLBSA-N 468.027 4.919 50 10 JJGE COc1ccc(CC(=O)Oc2cccc(C=C(C#N)c3ccc(OC)c(OC)c3)c2)cc1OC 2320510742 ALVYRCRKAZVXAL-UHFFFAOYSA-N 459.498 4.933 50 10 JJGE CC(=NNC(=O)c1ccc(-c2ccc(C)c(C)c2)nc1C)c1ccc2c(c1)N(C)C(=O)[C@H](C)O2 2321270311 ZFPYHNXNNGPNCR-IBGZPJMESA-N 456.546 4.572 50 10 JJGE O=S1(=O)C[C@@H]2[C@H]([C@@H](Cl)c3c(Cl)cc(Br)c(F)c3Br)[C@@H]2C1 2362233753 AOIGRBSZPWHMCH-YMVRNGRXSA-N 466.981 4.575 50 10 JJGE CC1CC(CBr)(CN2C[C@H]3CC(F)(F)CC[C@]3(NC(=O)OC(C)(C)C)C2)C1 2370173992 CYPOGKBTLNPDMH-BOEXQBHPSA-N 451.396 4.812 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1 14028394 BAHBCAJKPXRKOL-UHFFFAOYSA-N 459.974 4.787 50 10 JJGE N#C/C(=C/c1cccc(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 33930227 XRQOPDYJOMMHFY-WDZFZDKYSA-N 451.074 4.665 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)c1 38650214 FSICLGAQOUETFD-SANMLTNESA-N 456.498 4.515 50 10 JJGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(SC)cc2)cc1 38682601 FZKJNUOJMPIURU-RUZDIDTESA-N 458.539 4.783 50 10 JJGE O=C(NNc1ncnc(NCc2ccc(Cl)cc2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40657082 LTXZJIDHUIXLRG-UHFFFAOYSA-N 467.700 4.714 50 10 JJGE Cc1c(C(=O)Oc2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823162 UBFGEESUVGXBGM-YZSQISJMSA-N 486.297 4.574 50 10 JJGE COc1ccc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1[N+](=O)[O-] 40951366 RPXDPSSNAZURAL-ZVHZXABRSA-N 492.370 4.973 50 10 JJGE CCN(CC)c1ccc(/C=N/NC(=O)CCCSc2nc3ccccc3n2CC)c(O)c1 58991775 XUTNAYBWUIJHTB-KOEQRZSOSA-N 453.612 4.631 50 10 JJGE CC(C)C[C@@H](Br)CNC(=O)c1cc(I)ccc1Br 232584073 DNAJMIKUZUHKSJ-SECBINFHSA-N 488.989 4.593 50 10 JJGE CN(C)c1ccc(/C=C(\NC(=O)c2cccc(F)c2)C(=O)NN=Cc2c(O)ccc3ccccc23)cc1 252603916 FUMBLQMOGSEVQL-FUIBDDPVSA-N 496.542 4.672 50 10 JJGE Cc1c(Br)cc(NCC(=O)NN=C/C=C/c2ccccc2)cc1Br 254390952 YBOFKRUVYRKZJC-VNGWCMPGSA-N 451.162 4.747 50 10 JJGE CCC(=NNC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1ccc(O)cc1 254478560 CILLHLRKAMDPAM-UHFFFAOYSA-N 458.634 4.867 50 10 JJGE C[C@@H](Br)Cc1cn(-c2c(Br)cc(Cl)cc2Br)nn1 709307031 VZLHVPVGEACQFE-ZCFIWIBFSA-N 458.379 4.772 50 10 JJGE CC(C)c1ccc([C@H](CNC(=O)NNC(=O)c2cn(C)c3ccccc23)NC(=O)OC(C)(C)C)cc1 728942072 JRJHDPDKKZNDDV-QFIPXVFZSA-N 493.608 4.512 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c(-c2ccccc2)n1 914471448 BKPWXVMQVVVBGB-IJKLPWTBSA-N 467.529 4.567 50 10 JJGE N#C/C(=C/c1cn(Cc2ccccc2)c2ccc(Br)cc12)C(=O)NC[C@@H]1CCCO1 1084046448 YSEZQYZZFLEWOF-VTCDDQIKSA-N 464.363 4.654 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 1084481325 NFJNOXWWBXDJHL-SANMLTNESA-N 462.594 4.523 50 10 JJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OC)c(O)c1)C(C#N)=C(N)O2 1865682399 NQLPYGUWJKWTRH-LJQANCHMSA-N 457.317 4.674 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)c1O 1865684528 RLNPARMOURBLKD-IBGZPJMESA-N 478.430 4.977 50 10 JJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)c1 1865693238 SYZOMLZDEYIVRJ-QGZVFWFLSA-N 476.842 4.780 50 10 JJGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865698160 LUYNFYIGBCSYLK-DEOSSOPVSA-N 450.498 4.577 50 10 JJGE CCc1nn(Cc2ccccc2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701763 DUHVOAKWRUUSSB-LJQANCHMSA-N 453.315 4.614 50 10 JJGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701920 IFLTYKOTOQAKIT-IBGZPJMESA-N 471.305 4.753 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 1865709796 HAASOVOTTRVTCX-FQEVSTJZSA-N 467.888 4.803 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865715238 ZWVZPSRBJLHSKJ-NRFANRHFSA-N 498.942 4.617 50 10 JJGE CSCC[C@H](NC(=O)Cc1nc(-c2cccc(F)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866655500 SUTNNGCMVLSHMK-FQEVSTJZSA-N 498.605 4.781 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H](Br)CC2(CC2)C1 1926033633 PUXFLTHZGRTOAO-SSDOTTSWSA-N 458.013 4.663 50 10 JJGE O=C(N[C@@H](CCl)CC1CCCC1)c1cc(Br)ccc1I 1926734615 FGTVKRFPPDEKQP-GFCCVEGCSA-N 470.576 4.971 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CC[C@H](CCNC(=O)OC(C)(C)C)C1 1985351300 CQADEKGJZZILLW-SJORKVTESA-N 463.710 4.566 50 10 JJGE CC(F)(F)C[C@@H](CBr)NCc1ccc(I)c(Cl)c1 2086661299 LRBARZSMZRABCP-VIFPVBQESA-N 452.508 4.843 50 10 JJGE FC1(F)CCN(Cc2cc(Cl)ccc2I)CC[C@H]1Br 2093622208 XLUWPJKPFGJUBV-GFCCVEGCSA-N 464.519 4.939 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@H]2C[C@H](Br)C[C@H]1C2 2094090512 IEKDEJVLRJBCRD-LPEHRKFASA-N 451.984 4.600 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@H](Br)CC12CC2 2113561959 PTTMDSJBGBAURG-JTQLQIEISA-N 451.984 4.744 50 10 JJGE O=C(c1scc(Br)c1Br)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Br)C2 2134112358 LYEXFLJMZMRYIC-CVUIIHQFSA-N 476.003 4.752 50 10 JJGE C[C@H]1C[C@@H](Cl)CCN(C(=O)c2ccc(Br)cc2I)C1 2142284958 JRTRZXCFRAAGML-ONGXEEELSA-N 456.549 4.533 50 10 JJGE COC[C@@H](C)OC[C@H](Br)CCc1ccc(I)c(Cl)c1 2142935746 DCMZNOLCTDWZRH-ZYHUDNBSSA-N 461.565 4.692 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 2150957842 HTHKEEHIZLUTHF-QCZZGDTMSA-N 466.011 4.847 50 10 JJGE Cc1nn(CCCBr)c(C)c1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)C(C)C 2179825051 CCCFURDZRPXOSJ-KRWDZBQOSA-N 456.450 4.520 50 10 JJGE FC(F)(F)CC1(CBr)CCN(C[C@H]2CC2(Br)Br)CC1 2224804167 ZNSJYYPQFQOSAZ-SECBINFHSA-N 471.981 4.922 50 10 JJGE I[C@H]1CCCCCC[C@H]1OCCOCCOCCOCc1ccccc1 2227775510 ATDXIMIMCLYOQA-LEWJYISDSA-N 476.395 4.779 50 10 JJGE BrC[C@@]12CCCC[C@H]1CN(c1ncc(Br)cc1Br)C2 2230598892 CSYNNSLYPDWMDJ-IINYFYTJSA-N 453.016 4.998 50 10 JJGE C[C@H]1[C@H](Br)C[C@@H](C)CN1C(=O)c1ccc(Cl)c(I)c1 2268343939 KCPONFPRMWOZQX-WCABBAIRSA-N 456.549 4.579 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CCCC[C@H](Br)C1 2277925903 LMSZCQOPJMQMBR-NSHDSACASA-N 454.000 4.530 50 10 JJGE C[C@@H]1C[C@@H](Br)CN(Cc2ccc(I)c(Br)c2)C1 2306224795 TUYCQBLWPWSLIO-MWLCHTKSSA-N 472.990 4.659 50 10 JJGE Cc1ccc(C=C(C#N)C(=O)Nc2ccc(Br)cc2I)cc1 2329629461 YWMANIFHCDRDLN-UHFFFAOYSA-N 467.104 4.908 50 10 JJGE COC[C@@H](C)OC[C@@H](Br)CCc1ccc(Cl)cc1I 2341041539 LFXYSESWNWFFFZ-PWSUYJOCSA-N 461.565 4.692 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1C[C@@H](Br)CC12CCCC2 2365592484 NSQQDBZDLSDABL-JTQLQIEISA-N 468.560 4.867 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)c1 38650221 ONGDQKFLCSWAHS-RUZDIDTESA-N 476.916 4.860 50 10 JJGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1 38677287 TWQOXEQJNOVJCU-IVCQMTBJSA-N 458.489 4.979 50 10 JJGE O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)NNC(=O)c1ccc(Br)cc1 39852945 MVPMYMPSXNMXLT-UHFFFAOYSA-N 495.352 4.915 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 58894782 PGQGFDUNGRTGHO-RWFYVVHNSA-N 471.897 4.871 50 10 JJGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C)cc3C)nc3ccccn3c2=O)cc1 102848972 HDFUTYOXSLDHCM-HKWRFOASSA-N 450.498 4.958 50 10 JJGE O=C(N/N=C/c1cccs1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 105425126 HAZXSCHHENXSAZ-APJQVKJYSA-N 472.226 4.937 50 10 JJGE C[C@@H](Br)[C@](Br)(CBr)C(=O)Oc1ccc(Br)cc1 205782658 XHWPRPYWUQDXEP-RDDDGLTNSA-N 493.815 4.667 50 10 JJGE CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(Cc4ccco4)C(=O)C(C#N)=C3C)o2)cc1 214318817 BIPVPPMBZPLRAT-BKUYFWCQSA-N 456.454 4.509 50 10 JJGE CC(=NNC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)[C@H](C)Oc2ccc(C)cc2Cl)c1 254869453 JAUDVNKJEPYITJ-KRWDZBQOSA-N 493.947 4.937 50 10 JJGE CCOc1cccc(C=NNC(=O)c2cc(-c3cccc(OCc4ccccc4)c3)[nH]n2)c1O 254869891 MHTMAKJMVBGAED-UHFFFAOYSA-N 456.502 4.524 50 10 JJGE O=C(Nc1cc(I)cc(I)c1)c1cccc(CCl)c1 690346092 KHDHCJNRGVIMET-UHFFFAOYSA-N 497.501 4.887 50 10 JJGE O=C(NCC1(CBr)CCCC1)c1scc(Br)c1Br 705410568 SEJFUKHCGOANCP-UHFFFAOYSA-N 460.029 4.958 50 10 JJGE CC1(C)CO[C@@H](C[C@@H](Br)c2cc(I)cc3c2OCC3)C1 717148377 IMQDQSIESWLUDC-GXTWGEPZSA-N 451.142 4.867 50 10 JJGE C[C@H]1CC[C@@H](CCl)CN1C(=O)c1ccc(I)c(Br)c1 721510447 OAUMRWSDIIBJOM-UWVGGRQHSA-N 456.549 4.533 50 10 JJGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(c2ccccc2)c2ccccc2)cc1 725415042 XXCRWUZHSVYIDY-UHFFFAOYSA-N 493.563 4.995 50 10 JJGE CCOc1cccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1O 725426559 RDFWYNJXNSKTMU-AEFFLSMTSA-N 481.330 4.578 50 10 JJGE CCN(CC)Cc1csc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)n1 818111735 BXOYFWOQGMETQQ-LDADJPATSA-N 494.024 4.961 50 10 JJGE COc1ccc(Br)cc1C=NNC(=O)CSCc1cccc(Br)c1 1084279212 PCKZOUFBQCYUJU-UHFFFAOYSA-N 472.202 4.604 50 10 JJGE O=C(NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1ccccc1[N+](=O)[O-] 1084288693 DBLNXUWTOQJJLG-UHFFFAOYSA-N 469.284 4.583 50 10 JJGE C=C(CBr)CN1CCC2(CC1)CN(C(=O)OC(C)(C)C)Cc1ccccc1O2 1660737521 OONYNQPADPWTLI-UHFFFAOYSA-N 451.405 4.602 50 10 JJGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865693581 XABDVOWKYHKNIE-QFIPXVFZSA-N 464.953 4.773 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)ccc1OCc1ccc(C)cc1 1865694744 AOBFPAFOHSAIIE-AREMUKBSSA-N 479.540 4.690 50 10 JJGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2)cc1OC 1865697201 PKYTXUGRUNWJDR-HXUWFJFHSA-N 495.377 4.823 50 10 JJGE CC[C@](C)(NC(=O)Cc1nc(-c2ccccc2C)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866645490 AFLYLCKBSFODOU-VWLOTQADSA-N 462.575 4.998 50 10 JJGE CCC[C@H](NC(=O)[C@@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866696902 QIWUBPPNWAZUDU-ZEQRLZLVSA-N 458.587 4.905 50 10 JJGE CCC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(SC#N)cc1 1866876680 IZRNCWPFDACXMO-NHCUHLMSSA-N 481.647 4.522 50 10 JJGE Cc1nc(C(C)C)c(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)s1 1867154826 RZUULQNGQCWXBD-HXUWFJFHSA-N 480.615 4.834 50 10 JJGE CCOc1cc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OCc1ccccc1C 1873795445 JSOJGYQZKXBDIR-BATDETSNSA-N 483.609 4.972 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@H](Br)CCc1cc(Br)ccc1F 1905342482 JMWCMVILMYQDKG-CYBMUJFWSA-N 455.121 4.581 50 10 JJGE O=C(N[C@@H]1CC[C@@H]2C[C@@]21CBr)c1c(Br)cccc1Br 2132101054 NGAMCAREYDJCMM-XPLICSAQSA-N 451.984 4.505 50 10 JJGE CC[C@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@@H]1CBr 2140783779 GACDPPMPEWYCAG-UWVGGRQHSA-N 454.000 4.705 50 10 JJGE CN([C@@H]1CCCCC[C@@H]1Br)S(=O)(=O)c1cc(Cl)c(Br)s1 2172544349 QMLWJDAHRZTHKZ-WCBMZHEXSA-N 465.660 4.881 50 10 JJGE C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Cl)c(CBr)c2)CN1Cc1ccccc1 2179793288 RPRMWPODLARGLS-MAUKXSAKSA-N 471.848 4.518 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCCCCC(F)(F)F)C1 2216438670 MKPGSOZBSNRSGX-OAHLLOKOSA-N 465.294 4.940 50 10 JJGE CC1(C)CN(c2ncc(I)cc2Br)C[C@H]1CCBr 2222552889 MKDXRDMLAAYQFR-SECBINFHSA-N 488.005 4.696 50 10 JJGE C[C@@]1(CBr)C=CCCN1C(=O)c1csc(Br)c1Br 2253434238 VKCSCSWTJVTBKC-LBPRGKRZSA-N 458.013 4.829 50 10 JJGE COc1ccc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1OCc1cccc(Cl)c1 2328799128 AVRUJKLQMNUWSA-FQEVSTJZSA-N 487.984 4.777 50 10 JJGE FC(F)(CI)C(F)(F)CNCc1cc(Cl)ccc1Br 2336530829 ALAGIHOOJHITLR-UHFFFAOYSA-N 474.461 4.898 50 10 JJGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 14652655 ACVWMGCEMYNRBU-UHFFFAOYSA-N 467.363 4.831 50 10 JJGE COc1cccc(C(=O)N/N=c2/oc3ccc(Br)cc3cc2-c2nc3ccccc3[nH]2)c1 27496721 ATKQMEPUXAXFEI-RMLRFSFXSA-N 489.329 4.993 50 10 JJGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)o1 38659114 XBUQIUQWOPFOOK-QFIPXVFZSA-N 481.302 4.553 50 10 JJGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)cc1OC 38660117 AWGZZHLDUFWWJL-DEOSSOPVSA-N 460.486 4.904 50 10 JJGE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813661 KEOOYXNNKOUCBK-ZXVVBBHZSA-N 491.419 4.531 50 10 JJGE CCOc1ccc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc1OC 40950742 PYSSBLGTLFWWOY-AUEPDCJTSA-N 469.763 4.656 50 10 JJGE COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 97729901 ZMMJBEFCBTYYGM-DHRITJCHSA-N 470.298 4.613 50 10 JJGE COc1cc(/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 101334041 PMLLLIWLMZGAJT-RGVLZGJSSA-N 450.922 4.928 50 10 JJGE O=c1[nH]c2cc(Br)c([C@H](Cl)c3ccccc3I)cc2[nH]1 109883843 PRCVPDSTVYLZNH-CYBMUJFWSA-N 463.500 4.552 50 10 JJGE COCCOCCC(CBr)(CBr)c1ccc(Br)cc1 118671796 JGQSJYZCSJHQPB-UHFFFAOYSA-N 459.016 4.530 50 10 JJGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@H]1CC(Br)C2 232458025 DYHRBWFSUCGUCZ-QWRGUYRKSA-N 498.984 4.584 50 10 JJGE O=C(N[C@@H]1CCC[C@H](CBr)C1)c1ccc(Br)cc1Br 311391093 CZRXDXTZEKPMLT-GXSJLCMTSA-N 454.000 4.895 50 10 JJGE C[C@]1(CBr)CCCCN1C(=O)c1cc(Cl)ccc1I 723011803 HOLYBMMQKVRNMG-CQSZACIVSA-N 456.549 4.724 50 10 JJGE Cc1ccc(COc2ccc(C[C@@H](C)NC(=O)NNC(=O)c3cccc4cccnc34)cc2)cc1 727171734 CRLLHUOPJNSXFD-HXUWFJFHSA-N 468.557 4.697 50 10 JJGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)c1C 853647912 HSZPFEAPLNUZCZ-VCDLQSCZSA-N 471.985 4.682 50 10 JJGE O=C(NN=C(CSc1nc2ccccc2[nH]1)c1ccc(Br)cc1)c1cccnc1 1084173178 ZPULHQXVFQRIFU-UHFFFAOYSA-N 466.364 4.647 50 10 JJGE CC(=O)N1CCN(c2cccc(NC(=O)NNc3ccccc3Cc3ccccc3)c2C)C1=O 1310853352 SRTWFABWXXFMOY-UHFFFAOYSA-N 457.534 4.523 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2cccc(OC(F)(F)F)c2)C1 1614693472 MLIPAJXKGFEFSV-OCCSQVGLSA-N 471.257 4.971 50 10 JJGE N#CSc1ccc(NC(=O)C2CCN(C(=O)CCC(=O)c3ccc(Cl)cc3)CC2)cc1 1860599086 SHBMYAUIFKQSSQ-UHFFFAOYSA-N 455.967 4.753 50 10 JJGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(O)c(O)c2)c1 1865680911 ZQURCXLWQDNTMT-XMMPIXPASA-N 464.525 4.845 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1OCC 1865689202 MOIPZLQFPNKGOM-DEOSSOPVSA-N 479.540 4.950 50 10 JJGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)c1nc(-c2ccccc2)cs1 1872748455 YANICXKPNZGKIF-LNVKXUELSA-N 464.506 4.951 50 10 JJGE O=C(CCCC[C@H]1CCSS1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 1874193167 BDPXANNTSWVGNJ-AWEZNQCLSA-N 473.045 4.583 50 10 JJGE Clc1ccc([C@@H]2CCC[C@@H](CI)O2)c(I)c1 1903699687 OSJWCLMKVFBVAL-CABZTGNLSA-N 462.496 4.990 50 10 JJGE CS(=O)(=O)C1([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1 2002551840 PTMKUJLJHMUKKC-ZCFIWIBFSA-N 487.460 4.940 50 10 JJGE Brc1cc(I)cnc1N1CC[C@@H](Br)CC12CCC2 2069527489 CEMMNOSXXWJSRW-SECBINFHSA-N 485.989 4.735 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CCC[C@@](F)(CBr)C1 2101310062 JRPMVDDJXQGUFL-CYBMUJFWSA-N 457.963 4.551 50 10 JJGE CN(C(=O)c1cc(Cl)ccc1I)C1(CCBr)CCC1 2140971858 LZEXEFOIOOJILY-UHFFFAOYSA-N 456.549 4.724 50 10 JJGE C[C@@]1(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CCC[C@H]1Br 2182704512 GLAREECHIVTMNS-ZYHUDNBSSA-N 466.022 4.740 50 10 JJGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2cc(Cl)sc2Cl)C1 2195407124 ILGAHQGOFKKOSG-VIFPVBQESA-N 485.090 4.808 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@H](Cl)C2)c1cc(I)ccc1Br 2204563631 NRKIAQBNKRKZLV-HUJUBCJISA-N 468.560 4.580 50 10 JJGE CC(C)(C)OC(=O)NC[C@]1(C(F)(F)F)CCCN1CCCCCI 2214705970 XGRHBKTXTZUYRN-HNNXBMFYSA-N 464.310 4.513 50 10 JJGE Cc1nn(C)c(Br)c1[C@@H](Br)c1ccc2c(c1Br)CCO2 2238074959 WTVOOJFDZQDSOQ-ZDUSSCGKSA-N 464.983 4.673 50 10 JJGE Cc1ccc(I)c(C(=O)NC[C@@H]2CCCC[C@@H]2CBr)c1 2240914624 PJRUMURKCHVASL-OLZOCXBDSA-N 450.158 4.531 50 10 JJGE N#CC(C(N)=O)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 2293039280 XHMMGUGEXPRMTN-INIZCTEOSA-N 452.750 4.558 50 10 JJGE N#CC(=Cc1ccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)cc1)c1cccc(Cl)c1 2320506771 RERDUOWSBNGWPT-UHFFFAOYSA-N 456.885 4.996 50 10 JJGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(Br)cc2I)cc1 2329617774 DKZCWLDQYQODRD-UHFFFAOYSA-N 483.103 4.608 50 10 JJGE CC1(C)C[C@H](CBr)CN1C(=O)c1ccc(Cl)cc1I 2340058679 PWSOWGRGEYXPSG-SECBINFHSA-N 456.549 4.580 50 10 JJGE C[C@H]1CC2CC(CO[C@@H](CI)c3ccccc3Br)(C2)O1 2368121602 VHGJTMAXZGKRLG-UUGHVDCASA-N 451.142 4.899 50 10 JJGE CCOc1cc(C=NNC(=O)c2ccc(C)nc2)ccc1OC(=O)c1ccc(Br)cc1 9948782 YYPRSGMSYWGCPE-UHFFFAOYSA-N 482.334 4.534 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)cc1Br 14640645 KPVNLAXKUUXYGM-UHFFFAOYSA-N 477.399 4.865 50 10 JJGE COc1cccc(OCC(=O)Oc2ccc(/C=C(/C#N)c3ccc(OC)c(OC)c3)cc2OC)c1 31902078 WWRPABJSYVDGQY-NDENLUEZSA-N 475.497 4.770 50 10 JJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)C1=O 38606634 OTYKXCYCRIOPIV-KGENOOAVSA-N 494.975 4.946 50 10 JJGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2)cc1 38650349 IJKANOMHZKLKTE-RUZDIDTESA-N 454.482 4.697 50 10 JJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)c1 38659840 SENZLEZYSGFOMY-AREMUKBSSA-N 486.524 4.928 50 10 JJGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)c1 38684525 SAIRDMSSVTZLRL-AREMUKBSSA-N 472.472 4.593 50 10 JJGE O=C(NNc1ncnc(Oc2cccc3ccccc23)c1[N+](=O)[O-])c1ccccc1Br 40583523 OWWGNLRMQVODBX-UHFFFAOYSA-N 480.278 4.850 50 10 JJGE Cc1cc(Oc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2N)ccc1Cl 40795511 BNOAPKPXDALBHC-UHFFFAOYSA-N 468.728 4.642 50 10 JJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1\C(=O)N(CCOc2ccccc2)c2ccccc21 59165480 QQLBIHIUCOBTBP-VDVYRTJISA-N 498.366 4.707 50 10 JJGE O=C(N/N=C1\C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1cccc(Br)c1 59165786 NWYSBRSSKJUGMR-OXYSARBLSA-N 460.331 4.643 50 10 JJGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCC#N 59303692 UZMWBACCDBXBEV-AUEPDCJTSA-N 462.687 4.524 50 10 JJGE COC(=O)COc1ccccc1/C=N/NC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1 59304050 JQKGWFKZUIVKJU-RDRPBHBLSA-N 467.525 4.768 50 10 JJGE CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1 100217730 RHOGACKSMNYABG-VBKFSLOCSA-N 488.481 4.978 50 10 JJGE COC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2)c(OC)c1 206253906 GZFPKLZNLKWHTF-CYVLTUHYSA-N 451.519 4.837 50 10 JJGE COc1ccc(OC)c(C=NNC(=O)CCn2nc(-c3ccccc3)cc2-c2ccccc2)c1 254508309 ICELGFZLBITPRA-UHFFFAOYSA-N 454.530 4.775 50 10 JJGE COc1ccc(OC)c(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(C(C)C)cc2)c1 254762158 AAZCYJNLNOVAOI-QFEJOQHDSA-N 471.557 4.748 50 10 JJGE O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)NN=Cc1c[nH]c2ccccc12 254788304 MJWHVUVKASBTER-UHFFFAOYSA-N 497.540 4.566 50 10 JJGE CCc1ccc(OCC(=O)NN=Cc2cc([N+](=O)[O-])ccc2N(CC(C)C)CC(C)C)cc1 254842465 KIQNSJYTNLAJPQ-UHFFFAOYSA-N 454.571 4.805 50 10 JJGE Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NNC(=O)CNc1ccc(F)cc1 254862103 MHJOVKWGSTZPIL-UHFFFAOYSA-N 453.827 4.554 50 10 JJGE CC(=O)CCc1ccc(OCc2cccc(C(=O)NNC(=O)c3ccc(Cl)cc3)c2)cc1 727293758 ZGTZYXFMHSJABN-UHFFFAOYSA-N 450.922 4.515 50 10 JJGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1C 727412228 CEOVZAHPFPCVMM-ROZDBGGCSA-N 495.023 4.847 50 10 JJGE Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c(C)c1 761400107 GGCWZSPIVNKIEC-CPOKCXMASA-N 481.556 4.866 50 10 JJGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)CC)cc2)ccc1OC(=O)/C=C\c1ccccc1 1084346164 MOXIIGLNRLQSOA-VBTTVHPRSA-N 485.540 4.817 50 10 JJGE O=C(NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1ccccc1Br 1772752402 FYWABKNJGQZNJQ-UHFFFAOYSA-N 468.738 4.783 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)c1O 1865683228 AVYUEMZMMPMZGF-JOCHJYFZSA-N 450.498 4.780 50 10 JJGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)cc1OCC 1865690849 COLUDDJJCCMMRY-XMMPIXPASA-N 459.550 4.762 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1OC 1865695576 QAFRHICPVZJSIF-LJQANCHMSA-N 470.451 4.576 50 10 JJGE CCOc1ccc(CC(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1 1865759318 UFGLUPSBNRNEFU-UHFFFAOYSA-N 458.345 4.766 50 10 JJGE CSCC[C@H](NC(=O)CCC(=O)c1ccc(C)cc1C)C(=O)Nc1ccc(SC#N)cc1 1867090769 GKUYMEWFMFHSFR-NRFANRHFSA-N 469.632 4.716 50 10 JJGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1F 1914352908 KOFOXHZGIKBQAN-LBPRGKRZSA-N 465.182 4.563 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 2010828907 NRFCLRKZMCHJDU-VGSWGCGISA-N 475.721 4.662 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(OCC2CC3(C2)CC32CC2)CC1 2072214278 ZWPDCSSXYGXAJL-UHFFFAOYSA-N 461.384 4.788 50 10 JJGE CO[C@]1(CBr)CCCN(Cc2ccc(Br)cc2Br)C1 2092268625 ZEYKMWILHNTBOS-AWEZNQCLSA-N 456.016 4.588 50 10 JJGE O=C(NC[C@H]1CCC[C@@H](Br)C1)c1cccc(Br)c1Br 2092339663 GXSYIYVVVKNAST-VHSXEESVSA-N 454.000 4.895 50 10 JJGE CS(=O)(=O)c1csc([C@@H](Cl)c2cc(Br)ccc2I)c1 2093077460 RXCSTTMCKSLORN-LBPRGKRZSA-N 491.597 4.847 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CCCCC[C@H]1CBr 2094088599 MYWIPOKKPWOFEI-JTQLQIEISA-N 454.000 4.991 50 10 JJGE C[C@H](Cl)C1CCN(C(=O)c2ccc(Br)cc2I)CC1 2142286292 YQEXEBBHHAWXLP-VIFPVBQESA-N 456.549 4.533 50 10 JJGE O=C(c1cc(Br)c(Cl)s1)N1C[C@@H](C(F)(F)F)[C@@H](CBr)C1 2172566330 GAMQVKGHHSLWTK-NTSWFWBYSA-N 455.521 4.809 50 10 JJGE Cc1nn(C)c(Br)c1[C@H](Br)c1cc(Br)cc2c1OCC2 2185749942 KZLKTTLGMXIPLF-GFCCVEGCSA-N 464.983 4.673 50 10 JJGE C[C@H]1[C@H](NCCSSCCNC(=O)OC(C)(C)C)C[C@@H](C)CN1C(=O)OC(C)(C)C 2211277188 CSURYDVPJVIHEM-IXDOHACOSA-N 463.710 4.516 50 10 JJGE CN(C[C@@H](Cl)COCc1ccccc1)C(=O)c1ccc(Cl)c(I)c1 2248262128 ZTFVDJQISGUNOA-OAHLLOKOSA-N 478.157 4.841 50 10 JJGE Cc1ccccc1CCO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2263390057 XHDIWASVXLVYGL-HXUWFJFHSA-N 459.368 4.759 50 10 JJGE CC[C@@H](C)[C@H](CI)NC(=O)c1cc(F)c(Br)cc1Cl 2267804650 YFCRMJFNSQNMIS-KRTXAFLBSA-N 462.528 4.821 50 10 JJGE O=C(NCC[C@H]1CCC[C@@H]1Br)c1ccc(Cl)c(I)c1 2268349243 ZZXWQZCJNKHVDR-KOLCDFICSA-N 456.549 4.628 50 10 JJGE CN(C(=O)c1ccc(Cl)c(I)c1)[C@H](CCBr)C(F)(F)F 2283657732 UZVHGOYLOXINPX-SNVBAGLBSA-N 484.481 4.733 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CCC[C@@H](CBr)CC1 2295306826 BJLZOWVLIOETEI-LLVKDONJSA-N 468.027 4.778 50 10 JJGE CCn1c2ccccc2c2cc(NC(=O)COC(=O)C(C#N)=Cc3cc(C)n(CCOC)c3C)ccc21 2297335829 NZDCRBZEVRFANQ-UHFFFAOYSA-N 498.583 4.968 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H]2CC[C@@H](Br)[C@H]2C1 2308161015 FCIKYHUIGHGJBI-GJMOJQLCSA-N 458.013 4.519 50 10 JJGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3)nc3c(C)cccn3c2=O)cc1C 2314533358 QMEIGYXSQWRQPT-UHFFFAOYSA-N 450.498 4.958 50 10 JJGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593247 KDVAJMCRKXYRFO-DEOSSOPVSA-N 471.582 4.893 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C(C)C)c(C)c1 2314737758 QNNXEZYOGNLKFL-UHFFFAOYSA-N 488.540 4.928 50 10 JJGE Clc1ccc(CN2CCS[C@H](CCBr)C2)c(I)c1 2318529335 OTDOZKHHEDQVLM-GFCCVEGCSA-N 460.606 4.647 50 10 JJGE N#CC(=CNc1ccccc1Sc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)O)c1 2324197263 BLCWGWHCQTWNPF-UHFFFAOYSA-N 451.529 4.543 50 10 JJGE COc1c(Br)cc(C)c([C@@H](Br)C(C)(C)S(C)(=O)=O)c1Br 2365234315 XRKZXTMHRWLACJ-GFCCVEGCSA-N 493.055 4.788 50 10 JJGE C[C@]12C[C@H](C1)[C@@H](CO[C@H](CI)c1ccc(Br)cc1)CO2 2366743746 GVYMCKKJKVUMGJ-WMHQRMGPSA-N 451.142 4.757 50 10 JJGE Cc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)cc1 3038367 YZPZGGVYNATQEY-SYPWUMLFSA-N 485.024 4.638 50 10 JJGE COc1cc(/C=N/NC(=O)c2ccoc2C)cc(Br)c1OCc1ccc(F)cc1 20295899 LLEPAXHAGJJQBN-BHGWPJFGSA-N 461.287 4.841 50 10 JJGE CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC 33929974 YYAUZTCWZALUKH-ZSOIEALJSA-N 460.284 4.619 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)cc1OC 38659637 JWWQRJCEHZLBGT-XMMPIXPASA-N 460.461 4.670 50 10 JJGE O=C(NNc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-])c1ccc(Cl)cc1 40588058 DSKYJIBNSYTRBR-UHFFFAOYSA-N 453.673 4.846 50 10 JJGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5cc(C)on5)c(C)c43)coc2c1 40827017 UMYYKGYKSITLEY-MTDXEUNCSA-N 474.517 4.899 50 10 JJGE O=C(COc1ccccc1)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 40840298 DIZGODKCWKRISE-QYQHSDTDSA-N 498.764 4.549 50 10 JJGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)OCC)cc1 40853839 RWAHSBSQHSIAIX-GHRIWEEISA-N 470.547 4.744 50 10 JJGE COC(=O)c1cc(-c2ccc(-c3ccc(/C(C)=N/NC(N)=O)s3)s2)nc2ccccc12 97402215 WPUVRKPKHSHBDO-BRJLIKDPSA-N 450.545 4.871 50 10 JJGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 101332226 XEVQBGPSGPNGDO-OEAKJJBVSA-N 452.514 4.549 50 10 JJGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(CC)cc2)c(OC)c1 207143929 OQJNXOIDHMWCER-XLNRJJMWSA-N 464.562 4.845 50 10 JJGE O=C(NCC1(CBr)CCCC1)c1ccc(Br)cc1Br 232471887 XHNNNIZPENHXMK-UHFFFAOYSA-N 454.000 4.897 50 10 JJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccccc2)cc1 254290054 HTMHZBJRNVKAIT-UHFFFAOYSA-N 454.482 4.597 50 10 JJGE Cc1ccc(OCC(=O)NN=C2C(=O)N(Cc3cccc4ccccc34)c3ccccc32)c([N+](=O)[O-])c1 254844272 HMDAMCDXOLRREJ-UHFFFAOYSA-N 494.507 4.503 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2ccc(Br)c(O)c2)C1 382674437 KIAMGFWYUQNEKO-HOTGVXAUSA-N 469.173 4.902 50 10 JJGE CC[C@@H](Br)[C@H](C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 387386922 JSXYEMKCNVRVND-POYBYMJQSA-N 454.011 4.596 50 10 JJGE Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)N2CCC(NC(=O)c3ccoc3C)CC2)c1C 727333029 PSPFZTUJEZEPDQ-KQWNVCNZSA-N 470.573 4.632 50 10 JJGE CN(C)[C@H](CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)c1ccsc1 914505755 HAMQYKFDLMVOAA-BHSBJAHRSA-N 479.009 4.505 50 10 JJGE N#C/C(=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)NC[C@@H]1CCCO1 1084480652 PNCLKQDKTTUQDC-CNEDASOKSA-N 464.363 4.654 50 10 JJGE C/C(=C\c1ccccc1Cl)C(=O)NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 1306151897 VJNANTREJCZCMZ-WYMLVPIESA-N 450.951 4.913 50 10 JJGE C=CCn1cc2ccc(NC(=O)NNc3cccc(OC(F)F)c3Br)cc2n1 1673220899 RYGGPMDXPMYKGI-UHFFFAOYSA-N 452.259 4.735 50 10 JJGE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684636 UQTOCMQZXGKVRU-IBGZPJMESA-N 455.743 4.874 50 10 JJGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865709769 GJRCHTVPQKJEAN-QHCPKHFHSA-N 479.496 4.983 50 10 JJGE CCC[C@H](NC(=O)[C@H](c1ccc(OC)c(OC)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866983240 QSMSXIDBYCIQEP-REWPJTCUSA-N 469.607 4.940 50 10 JJGE BrCc1cc(Br)cc(Br)c1OC[C@H]1C[C@]12CCOC2 1894791260 NGRSINOMOGEVEF-YGRLFVJLSA-N 454.984 4.912 50 10 JJGE FC1(F)[C@@H]2COC[C@@]21[C@H](Br)c1cc(Br)sc1Br 1906050095 CRMPLVMEZUFSOX-FKBGGTMYSA-N 452.940 4.991 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@H](CBr)C2(CCC2)C1 1914494882 SHSUINQWSPKFBM-JTQLQIEISA-N 466.011 4.849 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCN(Cc2ccccc2)CC1(C)C 1985346835 ITGBIPDROBYZAU-FQEVSTJZSA-N 453.718 4.783 50 10 JJGE CCN1CCC[C@H]([C@@H](Br)c2cc(Br)sc2Br)S1(=O)=O 2089534381 FSIRJQXQYQFJLH-SCZZXKLOSA-N 496.084 4.523 50 10 JJGE O=S(=O)(C[C@H](Br)c1csc(Br)c1Br)N1CCCCC1 2093942433 RXGBBBKRNVMHNF-VIFPVBQESA-N 496.084 4.525 50 10 JJGE C[C@@](CBr)(NC(=O)c1ccc(Br)cc1Br)C(F)(F)F 2105104959 PKTPUUPSTSBITK-JTQLQIEISA-N 467.905 4.657 50 10 JJGE CC1(C)C[C@H](Cl)CCN1C(=O)c1ccc(I)c(Br)c1 2113587872 AWGUVCKMGHPXGY-SNVBAGLBSA-N 456.549 4.676 50 10 JJGE C[C@H]1CC[C@@](CCl)(NC(=O)c2ccc(Br)cc2I)C1 2142282918 JUWFIDMHXHYJAI-LKFCYVNXSA-N 456.549 4.581 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2[C@H](Br)CCC[C@H]2C1 2150957839 HTHKEEHIZLUTHF-CUOATXAZSA-N 466.011 4.847 50 10 JJGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCCC[C@@H](Br)C1 2169219248 UUXQFUBBZQUKBV-MRVPVSSYSA-N 466.022 4.694 50 10 JJGE Cc1cccc(C(=O)NCC[C@@H]2CCCC[C@H]2Br)c1I 2179634757 JAUHAQIPNHDDTD-GXTWGEPZSA-N 450.158 4.673 50 10 JJGE C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(Cl)c(CBr)c1 2179794633 JFMRGFRKXHLIKB-MRXNPFEDSA-N 471.848 4.520 50 10 JJGE CN([C@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(F)c(Cl)c(CBr)c1 2179861726 LSCHRPDODNMRDH-ROUUACIJSA-N 476.795 4.742 50 10 JJGE Cc1nn(C)c([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c1Br 2192373247 BRSITLMVABZUSK-LBPRGKRZSA-N 464.983 4.673 50 10 JJGE C[C@H](Cl)c1nc2cncc(Br)c2n1C[C@@H]1CC1(Br)Br 2224804144 ZMXFZKNMEUIOJV-BQBZGAKWSA-N 472.406 5.000 50 10 JJGE Cc1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2CBr)cc1I 2232826125 IUGAVHXYSBNIKY-KGLIPLIRSA-N 450.158 4.531 50 10 JJGE Cc1ccc(C(=O)NC[C@H](CBr)CC(C)(C)C)cc1I 2232829513 XBCODHWLDBSHSG-LBPRGKRZSA-N 452.174 4.777 50 10 JJGE C[C@@H](Cl)CN(C(=O)c1ccc(I)c(Br)c1)C(C)(C)C 2272489220 KRIFYZRTHVDUIT-SECBINFHSA-N 458.565 4.922 50 10 JJGE COc1cc(C)c([C@@H](Br)c2c(Br)ncn2C)cc1Br 2337285957 UGVCITXRZZUMCR-LLVKDONJSA-N 452.972 4.746 50 10 JJGE O=C(N[C@H]1C[C@H](CBr)C12CCC2)c1cc(Br)c(Br)s1 2351630715 PPLBWVRDONIVRT-XCBNKYQSSA-N 472.040 4.957 50 10 JJGE CC[C@H](C)Oc1cccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)c1 10661475 FPAQVSYUUWZGCD-HNNXBMFYSA-N 471.351 4.620 50 10 JJGE O=C(NNC(=O)c1ccccc1OCc1ccccc1)c1cccc(OCCOc2ccccc2)c1 14040953 XYWQCTIIGILEPE-UHFFFAOYSA-N 482.536 4.798 50 10 JJGE Cc1ccc(N2C(=O)[C@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(\C#N)C(=O)Nc2ccccc2)cc1 15401585 JKPHDDATYPIXDW-GPSDDGMOSA-N 484.537 4.968 50 10 JJGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)Nc1ccccc1C 39858830 ZYGMCJPOLRICBW-CYVLTUHYSA-N 466.497 4.658 50 10 JJGE COCCN(C(=O)C(Cl)Cl)[C@@H](C)c1nc2cc(Cl)ccc2c(=O)n1-c1ccc(C)cc1 105190993 XVWUWLRYFYLDLQ-AWEZNQCLSA-N 482.795 4.687 50 10 JJGE O=C(CCBr)Nc1c(Br)cc(Br)cc1Br 168335583 NNVMWFOXWLLFJS-UHFFFAOYSA-N 464.777 4.698 50 10 JJGE O=C(N[C@@H](CBr)C1CCCCC1)c1ccc(F)cc1I 386257006 LZPDZPINYLNVAF-AWEZNQCLSA-N 454.121 4.504 50 10 JJGE O=C(NNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1ccc2ccccc2n1 727721342 FPDCGPGXKNRIDW-UHFFFAOYSA-N 467.460 4.529 50 10 JJGE O=C(NNc1ccc(F)c(F)c1F)c1cccc(NC(=O)c2cccc(Br)c2)c1 728715444 GQBGKNZGXAMJQN-UHFFFAOYSA-N 464.241 4.876 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)OCc2nc(-c3ccccc3)no2)c(-c2ccc(Cl)cc2)n1 782093950 CWNAQIRZBCTPMX-UYRXBGFRSA-N 484.903 4.818 50 10 JJGE O=C(NN=Cc1ccccc1Br)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 1084191121 PXDBMVQSRSLCOC-DEOSSOPVSA-N 494.414 4.987 50 10 JJGE O=C(CSc1ccc(Cl)cc1)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 1084345562 RDRZQNMPMWGQGK-UHFFFAOYSA-N 453.951 4.600 50 10 JJGE Cc1ccc(C=NNC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1 1084500037 KYCSOZZEYOPVSI-UHFFFAOYSA-N 455.587 4.603 50 10 JJGE CC(=O)c1ccc(NC(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1C 1202115698 NJKNVWNOUIGOJH-UHFFFAOYSA-N 453.502 4.517 50 10 JJGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751280 LZCKQYXEYAMIII-UHFFFAOYSA-N 496.523 4.630 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)cc1O 1865681485 ORBMGHXVSYDSBZ-MRXNPFEDSA-N 497.260 4.886 50 10 JJGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684442 QGOPWCOGWBRROU-GOSISDBHSA-N 486.167 4.924 50 10 JJGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)c1 1865690128 JJBZHVNAVQNQIH-GOSISDBHSA-N 456.424 4.517 50 10 JJGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702206 PHCKOKUMNWZUCJ-IBGZPJMESA-N 471.305 4.753 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865712757 HAZJRKBSLFQIPP-QHCPKHFHSA-N 479.496 4.733 50 10 JJGE C[C@@H](N)Cc1cc(Br)cc(Br)c1OC[C@H]1C[C@@H](Br)C1 1887901784 SCYSOGLBYUZKMX-KKZNHRDASA-N 456.016 4.654 50 10 JJGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1COCCO1 1924579424 FERIJISRDWHMHI-CLZZGJSISA-N 455.393 4.731 50 10 JJGE ClCc1nc2cc(I)ccc2n1Cc1nccn1Cc1ccccc1 2029522770 HKUOCMGHRAQDOT-UHFFFAOYSA-N 462.722 4.673 50 10 JJGE CC(C)[C@H](Br)c1cn(-c2cc(Br)ccc2I)nn1 2057428372 AQAYBUHKUDMVHA-LBPRGKRZSA-N 484.961 4.726 50 10 JJGE FC(F)(F)c1cc(CBr)c(I)cc1I 2060237418 LJHAQAVXAMKBFC-UHFFFAOYSA-N 490.826 4.810 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@H]2CCCC(C)(C)O2)C1 2065757141 UNIZCAKWSPWQOT-BEFAXECRSA-N 467.388 4.555 50 10 JJGE FC1(F)CN(Cc2cc(Cl)ccc2I)CC[C@H]1CBr 2090184759 UXQYGOUFPNMCGS-JTQLQIEISA-N 464.519 4.797 50 10 JJGE CC1(C)CC[C@H](Br)CN1C(=O)c1cccc(Br)c1Br 2099873968 IVIKVQKFIFANRK-VIFPVBQESA-N 454.000 4.990 50 10 JJGE CN(C[C@H](Br)C1CCCCC1)C(=O)c1ccc(I)cc1 2167654205 VCOVQNBNCJUYLW-HNNXBMFYSA-N 450.158 4.707 50 10 JJGE O=C(N[C@H](CBr)C1CCCCC1)c1cc(I)ccc1F 2169666731 BGMSCWQCQURDFJ-CQSZACIVSA-N 454.121 4.504 50 10 JJGE CN(C(=O)c1c(Br)cccc1Br)[C@@H](CCBr)C(F)(F)F 2178509864 IRUYBQUKRDKGMN-VIFPVBQESA-N 481.932 5.000 50 10 JJGE CN([C@@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)C1CCC(CBr)CC1 2179826386 RJOHXPOMUCYISP-HFPIOELMSA-N 458.462 4.586 50 10 JJGE CC1(C)CC[C@H](CBr)N1S(=O)(=O)c1cc(Br)ccc1Br 2205770264 PSAXIJVSWIMAOB-SNVBAGLBSA-N 490.055 4.538 50 10 JJGE O=C(N[C@@H](CCl)[C@@H]1CC=CCC1)c1ccc(Br)cc1I 2207264620 HNWLKQPRAZZMNE-YGRLFVJLSA-N 468.560 4.747 50 10 JJGE CC[C@@H](C)[C@H](CI)NC(=O)c1scc(Br)c1Cl 2246437394 DLLOSQAETKGZHH-SVRRBLITSA-N 450.567 4.744 50 10 JJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)C=Cc3cccc([N+](=O)[O-])c3)cc2)cc1 2313854747 BDLSDCUHUUQPIC-UHFFFAOYSA-N 486.528 4.619 50 10 JJGE CS(=O)(=O)c1cscc1[C@H](Cl)c1sc(Cl)cc1I 2316771868 OEKXZDKYRJWUGC-VIFPVBQESA-N 453.175 4.799 50 10 JJGE CCn1cc(C=NNC(=O)c2cc(-c3ccccc3)nc(N3CCCCC3)n2)c2ccccc21 2323756630 QZGWMWSZANYZMO-UHFFFAOYSA-N 452.562 4.872 50 10 JJGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(NS(C)(=O)=O)cc3)n2)c(OCC)c1 2331386474 CKUCQGPMUHSIMA-UHFFFAOYSA-N 485.587 4.929 50 10 JJGE CC[C@]1(C)[C@@H](Br)CCN1C(=O)c1ccc(Cl)cc1I 2340065785 WQNIZCQULAGBQO-GXTWGEPZSA-N 456.549 4.723 50 10 JJGE C[C@@H]1CC[C@@H](CBr)N(C(=O)c2ccc(Cl)cc2I)C1 2340066793 UVBBQTUDCQBBOD-KOLCDFICSA-N 456.549 4.580 50 10 JJGE COc1c(Br)cc(C)c([C@H](Cl)c2nn(C)nc2Br)c1Br 2365185634 JPWXFRSQVXOKRR-VIFPVBQESA-N 488.405 4.748 50 10 JJGE COc1c(Br)cc(C)c([C@H](Br)C(C)(C)S(C)(=O)=O)c1Br 2365234316 XRKZXTMHRWLACJ-LBPRGKRZSA-N 493.055 4.788 50 10 JJGE CC(C)(C)[C@@H]1[C@H](Br)CCN1C(=O)c1ccc(Cl)cc1I 2365590411 GOASWXLUUSYBCI-YPMHNXCESA-N 470.576 4.969 50 10 JJGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 1889032 KZYMSZMGRYUBBL-VLBGROSNSA-N 481.936 4.815 50 10 JJGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 1889036 KZYMSZMGRYUBBL-KWLPWJRRSA-N 481.936 4.815 50 10 JJGE CC(C)c1ccc(OCC(=O)NNC(=O)c2cc(Cl)cc(Cl)c2)c(Br)c1 10505066 GTLPSRUKIOJYOF-UHFFFAOYSA-N 460.155 4.719 50 10 JJGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 14038610 GPJDFOQPXIGOJM-GOSISDBHSA-N 479.964 4.649 50 10 JJGE O=C(N/N=C/c1ccc(O)cc1O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 20509462 WYQMXYWOCFZNMP-RDRPBHBLSA-N 465.509 4.632 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)c(OC)c1 38688467 KFKJAMDQXWEBIT-XMMPIXPASA-N 492.915 4.803 50 10 JJGE COc1ccc(C(=O)NNC(=O)c2ccc(-n3nc(C(F)(F)F)cc3-c3cccs3)cc2)cc1 39852365 IHZDRHJLJWGPOX-UHFFFAOYSA-N 486.475 4.703 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cccc(C(C)C)c1 40880198 YETVLXSKZXPLKM-CIAFOILYSA-N 474.513 4.619 50 10 JJGE CCCN(CCC)c1ccc(C(=O)N/N=C/c2c(C)nn(-c3cccc([N+](=O)[O-])c3)c2C)cc1 59153592 ROJUFXNLBHPMKS-YZSQISJMSA-N 462.554 4.788 50 10 JJGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1C 101242631 FYYWKNOJPUREBM-YDYXIROLSA-N 475.545 4.778 50 10 JJGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C)cc3)nc3c(C)cccn3c2=O)cc1 102846204 VDBWEWBQECUGHG-CYVLTUHYSA-N 466.497 4.658 50 10 JJGE CCCCCCOc1ccccc1C(=O)/C=N/NC(=O)c1nn(-c2ccccc2)c2c1CCC2 169927640 KNGSNNRNKSZEHN-TURZUDJPSA-N 458.562 4.919 50 10 JJGE O=C(NN=Cc1cc(Br)cc(Br)c1O)C12CC3CC(CC(C3)C1)C2 585680779 SPJQYPJSTXEHDZ-UHFFFAOYSA-N 456.178 4.584 50 10 JJGE Cc1cnc(COc2c(Br)cc(Br)cc2CBr)cn1 693748317 ZNLNFAWKSMTRII-UHFFFAOYSA-N 450.956 4.784 50 10 JJGE BrCc1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)c(Br)c1 705934353 PBRLZRDPAFGGBK-ROUUACIJSA-N 450.218 4.912 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1 725431815 KSQLBHUQSOBQKW-XMMPIXPASA-N 497.979 4.808 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 1171974162 CMRMTXQLCTTYBZ-HXUWFJFHSA-N 453.718 4.925 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@H](c2cc(Br)cc([N+](=O)[O-])c2)C1 1614642053 KMXVOHNMTGSZLR-RISCZKNCSA-N 464.154 4.703 50 10 JJGE CC(=O)c1ccc(N2CCN(CC3(O[Si](C)(C)C(C)(C)C)CCOCC3)CC2)c(F)c1 1657607678 WINWVFCUSPZVCA-UHFFFAOYSA-N 450.671 4.721 50 10 JJGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747549 MWFAGNZWAWYSNM-UHFFFAOYSA-N 498.495 4.663 50 10 JJGE Cc1cc(OCC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)ccc1Cl 1772752508 WFDGWKZNJJZKFQ-UHFFFAOYSA-N 468.340 4.748 50 10 JJGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865693589 XAZBHPYSVLBYAX-OAQYLSRUSA-N 480.952 4.722 50 10 JJGE CC[C@](C)(NC(=O)C[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866734066 ACONQKGGAUKBOE-RLWLMLJZSA-N 479.602 4.838 50 10 JJGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1COCCO1 1924579426 FERIJISRDWHMHI-FFWSUHOLSA-N 455.393 4.731 50 10 JJGE O=C(NC[C@H]1CCCC2(CCC2)[C@@H]1Br)c1sccc1I 1924844949 NYSOUQSAQRACBQ-ZWNOBZJWSA-N 468.198 4.816 50 10 JJGE CCS(=O)(=O)C[C@@H](Cl)c1c(Br)sc(Br)c1Br 1988336764 AMXUVHGYCLCQHT-SCSAIBSYSA-N 475.449 4.750 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H]2CC[C@]2(CBr)C1 2078141754 FKRHJTRSSWCYRX-KRTXAFLBSA-N 458.013 4.520 50 10 JJGE CC[C@@H](Br)CN(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2106614541 HNXZTFLLNVOSKV-SSDOTTSWSA-N 454.011 4.550 50 10 JJGE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1CC1(CBr)CCOCC1 2106707803 SCYYLYJBLQGEOS-NHCUHLMSSA-N 467.448 4.690 50 10 JJGE CC1(C)CC(CCl)(NC(=O)c2ccc(I)c(Br)c2)C1 2107262187 IBPGREVTUVPKCV-UHFFFAOYSA-N 456.549 4.581 50 10 JJGE CC[C@@H]1CCOC[C@@H]1O[C@](C)(CI)c1ccccc1Br 2152512724 JMVSMVXKLWFAHZ-UHOFOFEASA-N 453.158 4.931 50 10 JJGE N#CC12COC(COc3c(Br)cc(CBr)cc3Br)(C1)C2 2159452904 RQIPJTXWGRXPBW-UHFFFAOYSA-N 465.967 4.558 50 10 JJGE C[C@H](CCCCCBr)NS(=O)(=O)c1cc(Br)ccc1Br 2174530500 RNAXCWARGBHNKB-SNVBAGLBSA-N 492.071 4.834 50 10 JJGE COc1ccc([C@H](Cl)c2cnn(C)c2I)c(Br)c1Cl 2268264285 QSHXGMFTSQLRDM-JTQLQIEISA-N 475.939 4.777 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CCCC[C@H](CBr)C1 2268342481 GJMPKRYAYNFYOL-SNVBAGLBSA-N 456.549 4.582 50 10 JJGE C[C@](CI)(OC1(C2CCC2)COC1)c1ccccc1Br 2288566041 HWIZRIVASCWCQE-OAHLLOKOSA-N 451.142 4.685 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@@H](Br)CC12CC2 2295309270 HJUHFKJNBBEPBD-LLVKDONJSA-N 466.011 4.673 50 10 JJGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3F)nc3ccccn3c2=O)cc1 2296718506 NQXYNQRYVQDICY-UHFFFAOYSA-N 470.460 4.570 50 10 JJGE N#CC(=Cc1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 2297551423 JBZVOLYBHFIWKF-UHFFFAOYSA-N 451.074 4.665 50 10 JJGE C[C@@]1(CBr)CCCN1Cc1ccc(I)c(Br)c1 2306221601 KCKCTLJVVICDBO-ZDUSSCGKSA-N 472.990 4.803 50 10 JJGE C[C@@H]1CCCN(CC(C)(C)CI)[C@H]1CCCNC(=O)OC(C)(C)C 2306819976 ZISHZSLLCSDAJE-CVEARBPZSA-N 452.421 4.853 50 10 JJGE COC(=O)c1c(NC(=O)c2ccccc2I)sc(C(C)=CC#N)c1C 2313518262 YIRLZZOYUXXKIP-UHFFFAOYSA-N 466.300 4.627 50 10 JJGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccccc2)cc1OCC 2313518485 FTAGFOXDEAYXPJ-UHFFFAOYSA-N 474.298 4.800 50 10 JJGE O=S(=O)(N[C@@H](CCCl)COCc1ccccc1)c1c(Cl)cccc1Br 2320659942 KDNHLFWQWCPZQD-AWEZNQCLSA-N 467.212 4.595 50 10 JJGE CCOc1cc(C=NNC(=O)c2sc(=N)[nH]c2CC)ccc1OCc1cccc(Cl)c1 2323177150 ANQZCXKNXCOFQE-UHFFFAOYSA-N 458.971 4.513 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)c3c(OC)cccc3OC)n2)c(OC)c1OC 2331412578 LILYGNKRQWPASI-UHFFFAOYSA-N 454.504 4.803 50 10 JJGE CCC(=CC(=O)NCC(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 2332120592 CHTVXBUDVJGZKU-UHFFFAOYSA-N 474.380 4.579 50 10 JJGE FC(F)(F)[C@@H]1C[C@@H](Br)CCN1c1ncc(Br)cc1Br 2336401280 ZIDMLOMGCFIIKU-RCOVLWMOSA-N 466.921 4.901 50 10 JJGE Cc1sc(-n2c(C)cc(/C=N/NC(=O)Cn3cc(C#N)c4ccccc43)c2C)c(C#N)c1C 1014282 YVVQYPULNKKGLL-KVSWJAHQSA-N 454.559 4.621 50 10 JJGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)OCC(C)C)c2)o1 3667918 NQXHBYCCJTYBNQ-LICLKQGHSA-N 452.894 4.635 50 10 JJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2)c1 12578332 VKPDQKNLMFHNHO-HNNXBMFYSA-N 486.355 4.783 50 10 JJGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccc(F)cc3)ccc21 38650518 ZHUALONWKUJPQL-CPJLOUKISA-N 474.488 4.815 50 10 JJGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(F)c2)cc1 38678298 KJEUZSLQYBVEJT-PUAOIOHZSA-N 458.489 4.979 50 10 JJGE Cc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(Cc2ccc3c(c2)OCO3)C(=O)CCl)cc1 97914727 XGNDUBYGSHKAEI-JUWHTYBZSA-N 470.997 4.727 50 10 JJGE C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(Cl)c(C)c2)c(OC)c1 98028254 WUOUBJYHNASWFH-XMHGGMMESA-N 468.937 4.631 50 10 JJGE COc1cccc(C(=O)Oc2ccc(C=NNC(=O)COc3cc(C)ccc3C(C)C)cc2OC)c1 254382998 KJCSSBGDBPVDJI-UHFFFAOYSA-N 490.556 4.884 50 10 JJGE C=CCc1cccc(C=NNC(=O)CSc2nnc(SCc3ccccc3)s2)c1O 254577724 HYTSDYZLULMJNI-UHFFFAOYSA-N 456.618 4.507 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2cccc(C)c2)cc1 254874543 NZADAEKZBXGIQI-UHFFFAOYSA-N 495.535 4.855 50 10 JJGE CCOc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1OCC 255947989 VESBOAXZNMBDLU-WYDHCGSWSA-N 465.594 4.866 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@@H](c2cc(I)ccc2F)C1 382734602 WGQXZZWYHRPOBR-MFKMUULPSA-N 484.147 4.776 50 10 JJGE CC[C@H](C)[C@@H](CO[C@@](C)(CI)CN(CC)C(=O)OC(C)(C)C)OC 384794907 XKOXAGKGPAEGEJ-DAYGRLMNSA-N 457.393 4.515 50 10 JJGE O=C(CSCc1ccc(Cl)cc1)NN=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 1083897072 ZMXOLXLKXMRQRM-UHFFFAOYSA-N 494.960 4.549 50 10 JJGE O=C(NN=C1C(=O)N(C/C=C\c2ccccc2)c2ccccc21)c1cccc(Br)c1 1084191025 NWYSBRSSKJUGMR-GBRUNNTISA-N 460.331 4.643 50 10 JJGE Cc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(Br)cc1 1084242485 FFZKTZDTZFHJMQ-QFIPXVFZSA-N 454.368 4.821 50 10 JJGE CC(=O)c1ccc2c(c1)N(Oc1cccnc1NC(=O)Nc1ccc(SC#N)cc1)C(=O)[C@@H](C)O2 1858860941 GDHPFVOCBVTOSV-OAHLLOKOSA-N 489.513 4.609 50 10 JJGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)ccc1O 1865695366 BYBGBGJFYPUDEL-LJQANCHMSA-N 481.350 4.655 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCCCCCC(F)(F)F)C1 1900521304 WBPYXHSKSRTLPJ-RYUDHWBXSA-N 451.267 4.549 50 10 JJGE Cc1c(C(F)(F)F)cccc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)CBr 1914340603 ACZDMSDGGWZDQO-ZDUSSCGKSA-N 450.320 4.988 50 10 JJGE O=C(c1ccc(F)cc1I)N(CCCBr)Cc1ccccc1 1914627449 FTCLEHPPUNDRTI-UHFFFAOYSA-N 476.127 4.858 50 10 JJGE CC(C)[C@H](CI)NCc1c(Br)cccc1Br 1937823821 UMABHDWAMURVQC-LBPRGKRZSA-N 460.979 4.761 50 10 JJGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)Cc1ccc(O)c(Br)c1 2003583254 CCQGDWGHFLMPPP-CQSZACIVSA-N 455.190 4.900 50 10 JJGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cc(Br)c(O)c(Br)c2)cc1 2040691040 VFYQEZIGZHBTSX-UHFFFAOYSA-N 457.143 4.564 50 10 JJGE CC(C)[C@H]1[C@@H](Br)CCN1C(=O)c1scc(Br)c1Br 2062180923 XBGKJXDHWKBKDP-XVKPBYJWSA-N 460.029 4.907 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2065399837 PVWQAKYKMUNZDP-JIGDXULJSA-N 458.013 4.519 50 10 JJGE O=C(NC[C@]1(CBr)CC12CCC2)c1cc(Br)c(Br)s1 2097903973 LSGRATQVYMECKQ-CYBMUJFWSA-N 472.040 4.958 50 10 JJGE Cc1c(Br)ccc([C@H](Br)C2(S(C)(=O)=O)CCC2)c1Br 2138871145 MOSUGMFBKQJUQV-LBPRGKRZSA-N 475.040 4.923 50 10 JJGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 2179861291 FOTDDHNMESOKOX-IBGZPJMESA-N 472.832 4.913 50 10 JJGE COCC(COC)CC(CBr)(CBr)c1ccccc1Br 2199390019 QGXHSYKGXWUHJG-UHFFFAOYSA-N 473.043 4.776 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@H](Br)CCc1c(F)cccc1Br 2242216602 QXRHZEVNPIOBSZ-LLVKDONJSA-N 455.121 4.581 50 10 JJGE Brc1cc(Br)cc(C[C@@H](Br)[C@H]2CCn3nccc3C2)c1 2295346106 VJXCVOKRNJOFFB-XHDPSFHLSA-N 463.011 4.977 50 10 JJGE N#CC(=Cc1cn(CCOc2ccc(F)cc2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 2296390050 APYLARRGUGMYSN-UHFFFAOYSA-N 483.499 4.811 50 10 JJGE Cc1ccc(S(=O)(=O)NCC(O)=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1 2331402614 WPYPYPHIMTUZKU-UHFFFAOYSA-N 451.982 4.605 50 10 JJGE O=C(c1ccc(Cl)cc1I)N(CCBr)C1CCCC1 2340060006 ZFIGMEHXEFXFFB-UHFFFAOYSA-N 456.549 4.724 50 10 JJGE Cc1cc(C(=O)NCC(C)(C)[C@@H](Br)C(C)C)ccc1I 2366003172 QDXHXMMROMROMF-AWEZNQCLSA-N 452.174 4.775 50 10 JJGE COc1ccc(C=NNC(=O)c2cccc(Br)c2)cc1CSc1ccccn1 13144309 IIBYMSDLXTUELF-UHFFFAOYSA-N 456.365 4.909 50 10 JJGE aggregator Cc1cc(OCC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc(C)c1Cl 13979757 RQGRQXAPQJRLQW-UHFFFAOYSA-N 459.757 4.649 50 10 JJGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 38607006 JMNKGIBSKIYPJF-LPHATQMZSA-N 478.552 4.619 50 10 JJGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc1 38651347 NTWVJBMXTMVJAE-XMMPIXPASA-N 462.889 4.551 50 10 JJGE CCc1ccc(Oc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40659568 BWDARRGECRIQMO-UHFFFAOYSA-N 478.292 4.568 50 10 JJGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NCc5ccccn5)c(C)c43)coc2c1C 40826599 FIKAZEJSEZPODR-DFKUXCBWSA-N 484.556 4.675 50 10 JJGE C#CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OC 59304555 WFISLCGHPYHQJO-FOKLQQMPSA-N 461.699 4.633 50 10 JJGE COc1ccccc1OCC(=O)N/N=C/c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 59498870 BPDGHPPGDAOSFV-ZMOGYAJESA-N 494.554 4.893 50 10 JJGE Cc1cc(OCC(=O)NN2C(=O)[C@@H](Cl)[C@H]2c2ccccc2Cl)nc2cc(Cl)c(F)cc12 98065008 XCJLRNLPCFOKRN-VQTJNVASSA-N 482.726 4.590 50 10 JJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1C 102859642 TUVHMEAQHADDMQ-UQTDQPHJSA-N 468.557 4.615 50 10 JJGE N#C/C(=C/NCc1cccc(Cl)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216509535 BKBCWOPGXROHBN-DAFNUICNSA-N 471.004 4.771 50 10 JJGE CCC(CC)(CBr)CNC(=O)c1ccc(I)c(Cl)c1 230246090 XOZPKGIEYXGWQB-UHFFFAOYSA-N 458.565 4.876 50 10 JJGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=Cc1cccc(F)c1 254702428 YYXSGRCLVTZOST-UHFFFAOYSA-N 492.601 4.708 50 10 JJGE BrCc1ccc(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)c(Br)c1 404202803 SBJDCTPTEXNEDL-LEWJYISDSA-N 480.244 4.824 50 10 JJGE C[C@@]1(CBr)CCCN(C(=O)c2ccc(I)c(Cl)c2)C1 688134895 ANNDGWNJDWDADY-AWEZNQCLSA-N 456.549 4.582 50 10 JJGE C[C@@H](Cl)[C@H]1CCCCN1C(=O)c1cc(I)ccc1Br 688777514 OHKDOHYJSNRQJN-NOZJJQNGSA-N 456.549 4.676 50 10 JJGE Cn1cc([C@H](Br)c2cc(Br)c3c(c2)CCCO3)nc1Br 698480713 BDSBIGGIGZCSGR-GFCCVEGCSA-N 464.983 4.754 50 10 JJGE BrCc1cc(Br)c(OCCCO[C@@H]2CCOC2)c(Br)c1 699531605 VSGLMNYSSYJNFY-LLVKDONJSA-N 472.999 4.681 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@@H]1CCCCl 721614937 BMVKOZCBGCUZHF-NSHDSACASA-N 456.549 4.677 50 10 JJGE Cc1cccnc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1Br)CCC2 1772743965 MRBJHHNNTRTZPI-UHFFFAOYSA-N 481.350 4.777 50 10 JJGE CCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)cc1 1772745034 PEUUYAOOMUTHLS-UHFFFAOYSA-N 476.489 4.618 50 10 JJGE CCOc1ccc(C=NNC(=O)COc2ccc(Br)cc2C(C)C)cc1OCC 1772755415 GOGBDYLNPJWQII-UHFFFAOYSA-N 463.372 4.899 50 10 JJGE C[C@H](Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccc(Cl)cc1 1858685523 QLOIDNPRAYHOQE-LBPRGKRZSA-N 474.832 4.799 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)ccc1O 1865681871 YWFSZWZAQCZPGV-LJQANCHMSA-N 470.451 4.581 50 10 JJGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN3CCc4c(F)cccc4[C@H]3C2)n1 1868253055 BCACLMMEOSBPLJ-HSZRJFAPSA-N 490.608 4.541 50 10 JJGE Cc1nc(C2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4cccnc4)n3)CC2)nn1C 1868566157 VFMKDCQLRKYINN-UHFFFAOYSA-N 483.605 4.676 50 10 JJGE N#C/C(=C(/O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2cccc3ccccc23)cs1 1872752175 QHNMUNJDNGJXCK-UZYVYHOESA-N 482.477 4.960 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@@]2(CCC[C@H]2Br)C1 1918935538 FLQDXNJFJJEGAS-HIFRSBDPSA-N 466.011 4.991 50 10 JJGE C[C@H]1[C@H](NCCSSCCNC(=O)OC(C)(C)C)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2010828105 AWQZVKSDLUROQV-BSDSXHPESA-N 475.721 4.659 50 10 JJGE O=C(CBr)c1ccc(OC(F)(F)F)c(C(F)F)c1I 2060389660 XTADUCZDWMRJQX-UHFFFAOYSA-N 458.946 4.705 50 10 JJGE CC(C)C[C@@H](CCl)CNC(=O)c1cc(Br)ccc1I 2120747133 GLCQRBSVQLAKAE-JTQLQIEISA-N 458.565 4.685 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@@H](Br)[C@H]1C1CC1 2130610990 IXLUZBRYQHZYFO-CHWSQXEVSA-N 451.984 4.600 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@H](CBr)C(F)(F)C1 2150503409 LUWVHUMBZWSYPQ-MRVPVSSYSA-N 475.953 4.704 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@H]2[C@@H](Br)CCC[C@H]2C1 2150960416 DSQFHWOWANWSAI-AXFHLTTASA-N 466.011 4.847 50 10 JJGE O=C(c1cccc(Br)c1Br)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2164661229 AWDZRLZUFBZZCK-KWBADKCTSA-N 466.011 4.990 50 10 JJGE CC1(C)C[C@@H](Br)CCN1c1ncc(C(F)(F)F)cc1I 2169883606 NDSWLNFXZQTKJH-VIFPVBQESA-N 463.079 4.847 50 10 JJGE COC[C@](C)(CC(CBr)(CBr)c1cccc(Br)c1)OC 2198252648 NYVPLFQWFWPWQJ-AWEZNQCLSA-N 473.043 4.918 50 10 JJGE O=S1(=O)C[C@@H]2CCC[C@@]2([C@H](Br)c2cc(Br)ccc2Br)C1 2201883027 QZKLFPQCZZPQPJ-CUOATXAZSA-N 487.051 4.863 50 10 JJGE Cc1cc(Br)c([C@H](Br)[C@@H](C)S(C)(=O)=O)c(C)c1Br 2220149962 OCPHVMOARSHVOV-PRHODGIISA-N 463.029 4.698 50 10 JJGE ClC[C@@]12CCCC[C@@H]1CN(c1ncc(I)cc1Br)C2 2230625896 VXZOQHMVAHJIQY-QMTHXVAHSA-N 455.565 4.684 50 10 JJGE CC[C@H](C)[C@@H](CI)NC(=O)c1scc(Br)c1Cl 2246437393 DLLOSQAETKGZHH-POYBYMJQSA-N 450.567 4.744 50 10 JJGE COc1cc(OC)c([C@@H](Cl)c2cc(I)sn2)cc1Br 2278040978 SGYQILHPXQWKLB-GFCCVEGCSA-N 474.545 4.856 50 10 JJGE O=C1Cc2cc([C@@H](Br)c3ccc(Cl)c(I)c3)ccc2N1 2283574110 NCSMHNDBQRLFOW-OAHLLOKOSA-N 462.512 4.924 50 10 JJGE COc1ccc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1COc1cccc2cccnc12 2297616585 DFECUHAXQJRLNX-UHFFFAOYSA-N 493.519 4.774 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1[C@H]2CC[C@H](C2)[C@H]1CBr 2330984860 SGRNZHZISQPWFR-DFAYQTQMSA-N 451.984 4.600 50 10 JJGE Cc1cc(Br)cc(CBr)c1OCc1nn(C)cc1I 2341853222 UCUFKJVKECMMFC-UHFFFAOYSA-N 499.972 4.570 50 10 JJGE Cc1c(CBr)ccc(NC(=O)c2cc(I)sn2)c1C 2342211769 FKZMMTKOBDNPEJ-UHFFFAOYSA-N 451.127 4.512 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@H]2CC[C@@H](Br)[C@@H]1C2 2355760445 GJCQPINRXKQPQQ-FZQKWOKYSA-N 466.011 4.990 50 10 JJGE Cc1ccc(-c2csc3ncn(CC(=O)N/N=C/c4ccc(Cl)cc4Cl)c(=O)c23)cc1 1784594 KKIMEXJCRMKZOH-JQAMDZJQSA-N 471.369 4.891 50 10 JJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)c1 19808016 KKVWBJRVBVPBIF-KZTQLJDNSA-N 468.557 4.615 50 10 JJGE COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)ccc1OCc1ccc(C(=O)O)cc1 33959999 LCVAYAAFCQENBG-RWPZCVJISA-N 470.481 4.595 50 10 JJGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NCc4ccccc4Cl)c(C)c32)c1 40822136 IGLFAJYOPSVSSQ-VFCFBJKWSA-N 465.937 4.650 50 10 JJGE COc1cc(/C=N/NC(=O)COc2ccc(Br)c(C)c2)ccc1OCCc1ccccc1 40911683 DXEWPAFQNYWZGF-JVWAILMASA-N 497.389 4.917 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCCO3)c(Br)cc1OC(C)C 96438584 TZNXZRUOARDEAM-SXGWCWSVSA-N 487.350 4.952 50 10 JJGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)C1=O 101332712 AUGIRHQBDUUUGN-HYARGMPZSA-N 482.540 4.559 50 10 JJGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)c1C 105286829 YATSEUALDDAQLA-OBLBUWMUSA-N 480.590 4.999 50 10 JJGE COCCO[C@H]1[C@@H](Oc2c(Br)cc(Br)cc2Br)C[C@H]1Cl 234730907 XYUYZMSUDYLYST-NTZNESFSSA-N 493.417 4.764 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CCC[C@H](CBr)CC1 378799174 TZVDGLFAMFJCAO-JTQLQIEISA-N 454.000 4.849 50 10 JJGE O=C(CBr)c1cc(I)c(Br)cc1OC(F)(F)F 575690742 BNSZCWLNJJXHLH-UHFFFAOYSA-N 487.835 4.530 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@@H](CCl)CC1 721578472 PENSQAUYPKFGDU-SNVBAGLBSA-N 456.549 4.535 50 10 JJGE CC(C)(C)C[C@@H](CCl)NC(=O)c1ccc(I)c(Br)c1 721594711 RCLSIHAISPPPSG-JTQLQIEISA-N 458.565 4.827 50 10 JJGE COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1C 728483490 GOUMQJKTCWRGKW-AQTBWJFISA-N 473.920 4.758 50 10 JJGE CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)c1C 855634335 AZSZDCKJMBAVFI-RXWSAZGZSA-N 461.518 4.941 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2cc3c(cc2F)CCC(=O)N3)c(-c2ccc(Cl)cc2)n1 914746976 DQFWCMMAIVMZJM-YVLHZVERSA-N 488.910 4.687 50 10 JJGE C=CCOc1c(I)cc(C=NNC(=O)c2cc3ccccc3o2)cc1OCC 1084290589 LENKDKKVWZLWRR-UHFFFAOYSA-N 490.297 4.765 50 10 JJGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2)cc1 1615066382 DYIRSGZOYPLDOF-HAVVHWLPSA-N 488.565 4.763 50 10 JJGE C=CC[C@]1(C(=O)NNc2ccc(Br)cc2CC)CCCN1C(=O)OC(C)(C)C 1631496766 SBUBYYWBGFZCPI-OAQYLSRUSA-N 452.393 4.800 50 10 JJGE C[C@H](Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Cl 1858687154 ILGKNYLAPXELHO-ZDUSSCGKSA-N 456.842 4.660 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)ccc1OC(=O)c1ccccc1 1865704846 FXEQVFNYJJQXCO-AREMUKBSSA-N 492.535 4.686 50 10 JJGE COc1ccc(-c2ccc(C(=O)NNC(=O)CCCc3ccc(Cl)cc3)c(C)n2)cc1OC 1865758142 LLJPQNAAMDADJC-UHFFFAOYSA-N 467.953 4.512 50 10 JJGE O=C(NCCCl)[C@@H](Cc1ccccc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865892675 IWVDJSFMPKJSCW-SNVBAGLBSA-N 494.589 4.863 50 10 JJGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@@H]1C[C@H]1Br 1877422034 ZCECJQJKFICQIQ-FNVCAUGXSA-N 485.422 4.792 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H](CBr)C2(CCC2)C1 1914493387 QNRVQYULRWSXEI-NSHDSACASA-N 466.011 4.849 50 10 JJGE Cc1nn(-c2cccc(Br)c2CBr)c(C)c1I 1945162123 MMZBAGIQFRNLEA-UHFFFAOYSA-N 469.946 4.751 50 10 JJGE O=C(NC[C@H](CBr)C1CCC1)c1cc(Br)sc1Br 2029475806 SYBMFQMXTWQCAE-QMMMGPOBSA-N 460.029 4.814 50 10 JJGE CCn1cc([C@@H](Br)c2cc(Br)c(OC)s2)nc1Br 2034633888 YXZFSFUPALMHER-SECBINFHSA-N 459.001 4.982 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H]2CC(Br)C[C@@H]2C1 2065399838 PVWQAKYKMUNZDP-RNFRBKRXSA-N 458.013 4.519 50 10 JJGE O=C(N[C@@H]1CCCC[C@@H]1CBr)c1cccc(Br)c1Br 2092339391 DFDWUNKFFHEELB-BXKDBHETSA-N 454.000 4.895 50 10 JJGE CN(C(=O)c1cccc(F)c1I)[C@@H]1CCCCC[C@H]1Br 2172538473 DSITYMATRIAOEN-DGCLKSJQSA-N 454.121 4.599 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1C[C@H](Br)CCC12CCC2 2174541237 WKYHCSLVZFSKMX-SNVBAGLBSA-N 468.560 4.867 50 10 JJGE CN(C(=O)c1cccc(Br)c1Br)[C@H](CCBr)C(F)(F)F 2178510191 JZFWQCFHLMSYEZ-SECBINFHSA-N 481.932 5.000 50 10 JJGE O=C(N[C@H](CCl)[C@H]1CC=CCC1)c1ccc(I)c(Br)c1 2196139901 HSOLJYDAMPGECB-IINYFYTJSA-N 468.560 4.747 50 10 JJGE O=S(=O)(N[C@H](CBr)[C@H]1CC=CCC1)c1cc(Cl)c(Br)s1 2196145796 HRAXAEJJWIDTJR-WCBMZHEXSA-N 463.644 4.562 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@@H](C(F)(F)CBr)C1 2197771634 XQZMZTLDYFYTKT-MRVPVSSYSA-N 475.953 4.704 50 10 JJGE Fc1cc(Br)cc2c1nc(CCl)n2C[C@H]1COCCN1Cc1ccccc1 2232934800 UANLGIJXGUPMII-INIZCTEOSA-N 452.755 4.578 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CCC[C@@H](CCCBr)C1 2234181480 LJKUYBBWCBVWDV-LLVKDONJSA-N 470.576 4.972 50 10 JJGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@@H]2C[C@@H]32)c1 2277962805 LYKYIAZVMPTKEG-YRKSKIDTSA-N 450.996 4.941 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1ccc(Cl)c(I)c1 2283668757 ZSJQSOUBRSFHEZ-HJUHTLPRSA-N 468.560 4.627 50 10 JJGE COc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(OC)cc3)N(c3ccccc3)C2=O)cc1 2296506997 OHZLTEYKKDMZEZ-XMMPIXPASA-N 485.565 4.769 50 10 JJGE COc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3)C(=O)N2c2ccccc2)cc1 2296834494 YTRPFSYWQBYOIH-QHCPKHFHSA-N 455.539 4.760 50 10 JJGE O=S1(=O)CC[C@@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299529426 BKLUDEZASCDWJY-RDTXWAMCSA-N 474.214 4.899 50 10 JJGE C[C@@H](Br)[C@H]1CCN(Cc2ccc(I)c(Br)c2)C1 2306222077 PKJBJDUFWBXDCZ-KOLCDFICSA-N 472.990 4.659 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(OC)cc1 2313671140 IRVHUELDBRRVJG-UHFFFAOYSA-N 487.468 4.767 50 10 JJGE N#CC(=Cc1c(Oc2ccccc2F)nc2ccccn2c1=O)C(=O)Nc1ccc(Cl)cc1 2314531473 BFVIHHVYXFQGFH-UHFFFAOYSA-N 460.852 4.825 50 10 JJGE CCCOc1ccc(C=C(C#N)C(=O)Oc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 2314770781 CTLLQQSUZBILMP-UHFFFAOYSA-N 452.466 4.789 50 10 JJGE Cc1cc(OC(=O)C(Cl)Cl)cc2c1C(=O)C(=Cc1cc(Cl)cc3c1OCOC3)O2 2323758355 GPCXMCYQPDLSAL-UHFFFAOYSA-N 455.677 4.840 50 10 JJGE FC(F)(F)C[C@H](Cl)CNCc1ccc(I)c(Br)c1 2325231232 SXHZBNGGQXSRIS-QMMMGPOBSA-N 456.471 4.703 50 10 JJGE O=C(NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccccc1Br 2326839026 UXCAMJCJHADPEK-UHFFFAOYSA-N 468.738 4.783 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Cl)c2)sc(C(=O)OC(C)C)c1C 2329687169 AUKOYFJDMJZFPF-UHFFFAOYSA-N 460.939 4.998 50 10 JJGE C[C@@H](c1ccncc1F)[C@H](Br)c1c(Br)c(Br)nn1C 2344693452 UKMJKIMTSGLYRA-RCOVLWMOSA-N 455.951 4.719 50 10 JJGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 14768877 OQBXSMKOOIPEBQ-DEOSSOPVSA-N 459.546 4.567 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)c1 38650211 AVAFCCLJVXFRPJ-AREMUKBSSA-N 456.498 4.515 50 10 JJGE CCOc1c(Br)cc(/C=N/NC(=O)COc2cc(Cl)ccc2Cl)cc1OC 40911810 IWIZYQJOOGEKIZ-LSFURLLWSA-N 476.154 4.692 50 10 JJGE CCCN(CCC)c1ccc(C(=O)N/N=C/c2c(C)nn(-c3ccc([N+](=O)[O-])cc3)c2C)cc1 59165077 YUBKJSATKGMYMH-YZSQISJMSA-N 462.554 4.788 50 10 JJGE C[C@H](N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 216489881 ZNDPYGSVDSSLAK-QPQZTTLASA-N 450.586 4.678 50 10 JJGE O=c1[nH]c2ccc([C@H](Br)c3ccc(Br)cc3Br)cc2[nH]1 232484872 LZDJWKCGZFDWIL-ZDUSSCGKSA-N 460.951 4.866 50 10 JJGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 254505036 OMBGVWICPBJBNJ-UHFFFAOYSA-N 457.559 4.575 50 10 JJGE COC(=O)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 254812947 IIGGXMZIJSOZCI-UHFFFAOYSA-N 499.596 4.580 50 10 JJGE CN(c1ncc(C(F)(F)F)cc1I)[C@@H]1CCCC[C@H]1Br 686110033 YMYFLAFYXXCUDR-MWLCHTKSSA-N 463.079 4.847 50 10 JJGE CC(C)C(=O)Nc1cccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1 914758929 BLGAZMVSWMDJGV-XSFVSMFZSA-N 452.518 4.604 50 10 JJGE COc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccccc1F 1083847864 TVFDHXYXWMWNQP-UHFFFAOYSA-N 484.527 4.800 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccccc1OCc1ccc(C)cc1 1873794749 YRVAFZZSGAYGTG-RPRPLSGUSA-N 453.583 4.964 50 10 JJGE COc1cc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)ccc1OCc1ccccc1F 1873795712 YPLWFKOLXZPLTQ-STBIYBPSSA-N 487.572 4.949 50 10 JJGE FC(F)(F)[C@@H]1C[C@@]1(CCl)CNc1ncc(I)cc1Br 1877499123 BXSFLWVOSUVSPY-PSASIEDQSA-N 469.470 4.668 50 10 JJGE C[C@H]1C[C@@H](CBr)CCN1C(=O)c1cc(Br)c(Br)s1 2052359730 MHMGJGGAOIGSRE-YUMQZZPRSA-N 460.029 4.909 50 10 JJGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cc(Br)cc(Br)c2O)cc1 2053607073 LOVSJNZJWPWGPE-UHFFFAOYSA-N 457.143 4.564 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(Cl)cc(Br)c1 2061267722 IGKVACQUMQIBGU-UHFFFAOYSA-N 469.854 4.738 50 10 JJGE Cc1cc(Br)c(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)s1 2211911473 DINHUFCKOVRLDE-CQSZACIVSA-N 461.219 4.871 50 10 JJGE Brc1ccc(Br)c(CC23COC(CI)(C2)C3)c1 2216252189 IPWUMUYTIXDHRC-UHFFFAOYSA-N 471.958 4.738 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@H](Br)CCC12CC2 2227506504 RMYVYSOYIHDXJT-SECBINFHSA-N 451.984 4.744 50 10 JJGE Cn1cc(Br)c([C@@H](Br)c2c(F)cc(F)c(Br)c2F)n1 2227807011 JVXVWJRSUCXWIF-VIFPVBQESA-N 462.889 4.847 50 10 JJGE ClCCc1nc2cnccc2n1-c1ccc(Br)cc1I 2240010623 JAEMMTWGGAGJSQ-UHFFFAOYSA-N 462.516 4.569 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(CCCCI)C2)C1 2248249724 NBMCDVAUOUKOCL-IRXDYDNUSA-N 450.405 4.561 50 10 JJGE C[C@@H](CCCBr)CNCc1ccc(I)c(Br)c1 2306224044 MEVPOTGXLVZKOG-JTQLQIEISA-N 475.006 4.955 50 10 JJGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)c1 2314534085 XZJOGVOCFLMOIL-UHFFFAOYSA-N 454.461 4.788 50 10 JJGE CC(=Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 2330434428 XLHAIKDLORCDRX-DEOSSOPVSA-N 457.555 4.735 50 10 JJGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)CCC(=O)Nc1ccc(C)cc1C 10683076 KALCTRXJGUAPSR-XMSQKQJNSA-N 453.583 4.541 50 10 JJGE CCOc1ccc(Br)cc1/C=C\C(=O)Oc1ccc(/C=C(/C#N)C(=O)OC)cc1OC 33693591 ZOPKMNBSNLRWNA-JKQKEIELSA-N 486.318 4.555 50 10 JJGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccccc2C)c1 39858626 NMXSTEBYFMXUCN-HKWRFOASSA-N 450.498 4.958 50 10 JJGE CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 48572225 BCDCRLKKUIBMIL-MUFRIFMGSA-N 479.964 4.588 50 10 JJGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2cc(C)ccc2C(C)C)c(OC)c1 206403390 ONABMIFXSIFOFA-MOSHPQCFSA-N 450.535 4.545 50 10 JJGE COc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c(OC)c1 252638468 YCYWXZDLCNOKCT-UHFFFAOYSA-N 489.359 4.507 50 10 JJGE CCN(CC)c1ccc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1 254500246 JCDGCJYURQEPEU-BCASKOEZSA-N 483.616 4.520 50 10 JJGE CCCc1ccc(OCC(=O)NN=Cc2cc(OC)ccc2OCc2ccccc2)c([N+](=O)[O-])c1 254588509 AIGQDVSTNUEYTL-UHFFFAOYSA-N 477.517 4.664 50 10 JJGE CC(C)(C)C(=O)[C@@H](Br)Cc1cc(Br)ccc1I 304183712 CDVGMAOIOHOBHY-JTQLQIEISA-N 473.974 4.975 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2C[C@H](Br)CC[C@H]2C1 398751986 WJPHVCMWKZQOQI-HBNTYKKESA-N 466.011 4.847 50 10 JJGE C[C@H](Br)[C@H]1CCCN(C(=O)c2cc(Br)ccc2Br)C1 689044002 QFLYBCDBBCNYLF-UWVGGRQHSA-N 454.000 4.847 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2C[C@@H](Br)C[C@H]1C2 709780540 VPHFGHXXXIJCAT-XLPZGREQSA-N 458.013 4.661 50 10 JJGE COc1cc(C=NNC(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(C(=O)O)cc1 1083889040 QNGDCXSMMMFXBF-UHFFFAOYSA-N 453.882 4.781 50 10 JJGE CCOc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 1084026558 GVWKCJSUDRWPSX-UHFFFAOYSA-N 473.360 4.888 50 10 JJGE CCN(CC)c1ccc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084114017 ZWCHXFFIXACCGF-UHFFFAOYSA-N 499.036 4.532 50 10 JJGE Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1C=NNC(=O)CN(Cc1ccccc1)Cc1ccccc1 1084154839 YSYBTLLDBKSIQW-UHFFFAOYSA-N 496.571 4.550 50 10 JJGE Cc1cccc(N(CC(=O)NN=Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)c1 1084379578 DAQACKSQQCUIDF-UHFFFAOYSA-N 476.385 4.647 50 10 JJGE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCSSC 1568952752 KJDSKHSUJMQBFJ-JOCHJYFZSA-N 456.633 4.987 50 10 JJGE CC(=O)c1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1O 1649389952 VSOUZRCFHVWYQY-UHFFFAOYSA-N 459.889 4.538 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(F)cc1F 1865702422 VJROLVTYLSOCNM-INIZCTEOSA-N 450.342 4.586 50 10 JJGE CSCC[C@@H](NC(=O)Cc1ccc(C)c(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867232614 ZOBBPMNBTIGSLV-LJQANCHMSA-N 492.464 4.750 50 10 JJGE C[C@H](CCCCCI)NCc1sccc1I 1901006844 APUBKGQGDZMLMK-SNVBAGLBSA-N 463.166 4.826 50 10 JJGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 1955614547 POYGEPRYRFGYCR-STZQEDGTSA-N 466.441 4.740 50 10 JJGE CCN(C[C@](C)(CI)OCc1cccc(F)c1)C(=O)OC(C)(C)C 2024641754 FJLDFVADHJAEMZ-SFHVURJKSA-N 451.320 4.793 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@@H](CBr)C2(CC2)C1 2027533925 AENXTQTVLLPYIQ-SSDOTTSWSA-N 458.013 4.520 50 10 JJGE COc1cc(Br)c(C(=O)N(Cc2ccccc2)[C@H](C)CBr)cc1OC 2068785119 VJNAQWIPWDFJBE-CYBMUJFWSA-N 471.189 4.892 50 10 JJGE Cc1cccc(C(=O)N[C@@H](CBr)c2cccs2)c1I 2119041038 XLWRMYSCUJAEQK-NSHDSACASA-N 450.139 4.527 50 10 JJGE C[C@@H]1CN(Cc2c(Br)cccc2Br)C[C@H](CCBr)O1 2122794712 OSFCQLUKRIDYTD-MNOVXSKESA-N 456.016 4.586 50 10 JJGE C[C@H](Br)CCc1cn(Cc2ccc(Br)cc2Br)nn1 2132759918 KRKSHMPEJBZBNI-VIFPVBQESA-N 451.988 4.567 50 10 JJGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N(C)[C@@H]1CC[C@@H]1OCc1ccccc1 2156445888 YXFWSBWADRTZRD-MOPGFXCFSA-N 472.832 4.865 50 10 JJGE C[C@@H]1C[C@H](CBr)CCN1c1ncc(C(F)(F)F)cc1I 2172486433 RTGCNZBNYBYDQG-RKDXNWHRSA-N 463.079 4.705 50 10 JJGE C[C@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1ccc(Cl)c(CBr)c1 2197757461 SNZHTBGHYLOCGV-HXUWFJFHSA-N 472.832 4.995 50 10 JJGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@H]2[C@H](CBr)NC(=O)OC(C)(C)C 2241741489 NPRAUBNZTJGGLM-BIVLZKPYSA-N 461.441 4.994 50 10 JJGE O=C(c1scc(Br)c1Br)N1[C@H]2CC[C@@H]1[C@H](CBr)C2 2308533429 MYMMFSWPASUKMG-ACLDMZEESA-N 458.013 4.661 50 10 JJGE N#CC(=Cc1cc(Br)c(N2CCCC2)o1)C(=O)Nc1ccc(Br)cc1 2313562206 JBSKQCYPORABMO-UHFFFAOYSA-N 465.145 4.950 50 10 JJGE CCc1cccc2c(C=C(C#N)C(=O)NCc3cccs3)cn(CC(=O)N3CCCCC3)c12 2313623716 AJAVTDBTQZUADK-UHFFFAOYSA-N 460.603 4.501 50 10 JJGE Cc1nc(C[C@@H](Br)c2c(Br)c(Br)nn2C)sc1C 2316717298 HMMXFHVWARHVIS-SSDOTTSWSA-N 458.017 4.697 50 10 JJGE CCOc1ccc(C)cc1[C@H](C)NC(=O)C(C#N)=CNCCc1ccccc1Br 2325079192 ZKPHTIUOGJNVCW-KRWDZBQOSA-N 456.384 4.573 50 10 JJGE C[C@H](Cl)[C@H](NCc1ccc(I)c(Br)c1)C(F)(F)F 2325211181 GLCQQDBBIMZYQE-WKEGUHRASA-N 456.471 4.702 50 10 JJGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)[C@@H](C)N2C(=O)c3ccccc3C2=O)n1 2331410839 JVWGTCFYCBFPKY-GFCCVEGCSA-N 465.918 4.949 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3)n2)c(OC)c1OC 2331412558 JLAKGZUUOHLJQB-UHFFFAOYSA-N 485.949 4.712 50 10 JJGE C[C@]12C[C@H](C1)[C@@H](CO[C@@H](CI)c1cccc(Br)c1)CO2 2366736724 XMVSHYRPHKDXBH-DARAHFNDSA-N 451.142 4.757 50 10 JJGE COc1cc(CCl)cc(OCc2ccc(I)c(Br)c2)n1 2377636482 OGHIDFIDEKKKJC-UHFFFAOYSA-N 468.516 4.775 50 10 JJGE CCCOc1ccc(C(=O)NNC(=O)COc2ccc([C@H](C)CC)cc2)cc1Br 14647380 WIDXZOQROZPJNM-OAHLLOKOSA-N 463.372 4.591 50 10 JJGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OCCc1ccccc1 32519983 XKEIBMPYSAAOLD-WGOQTCKBSA-N 461.543 4.700 50 10 JJGE O=C(CCCc1c(-c2ccccn2)[nH]c2ccccc12)NNC(=O)c1ccccc1Br 39846652 AMLRLABRZRRZEK-UHFFFAOYSA-N 477.362 4.776 50 10 JJGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1 39992897 KVIJRPGYCIVJDY-NBVRZTHBSA-N 454.461 4.788 50 10 JJGE Cc1ccc(Cl)cc1Nc1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-] 40592849 GTRDZZZSDCBZET-UHFFFAOYSA-N 477.706 4.610 50 10 JJGE COc1ccc2nc(Nc3ncnc(NNC(=O)C(c4ccccc4)c4ccccc4)c3N)sc2c1 40784275 XCXHLKRKWIRJAO-UHFFFAOYSA-N 497.584 4.696 50 10 JJGE CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)CC[C@H](O)c3ccc(OCC)cc3)c2C)c1 58894542 PICWJKZERDOSQQ-DGXULUGGSA-N 491.588 4.633 50 10 JJGE CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(CCc4ccccc4)C(=O)C(C#N)=C3C)o2)cc1 113859402 QJLPYASEGIOGJF-ULJHMMPZSA-N 480.520 4.958 50 10 JJGE Cc1c(Br)cc(NCC(=O)NN=C/C=C\c2ccccc2)cc1Br 254390951 YBOFKRUVYRKZJC-OTSWZWFRSA-N 451.162 4.747 50 10 JJGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc3cc(OC)ccc3c2)cc1 254439856 DRCYQNBIBVRTKB-HDCWJBORSA-N 479.536 4.778 50 10 JJGE CNc1ccccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382734496 WEQCLEHZLLJILK-FUHWJXTLSA-N 450.320 4.516 50 10 JJGE FC1(F)CCN(Cc2cc(Cl)ccc2I)C[C@@H]1CBr 405293221 JBHMGMCTPXPNNB-JTQLQIEISA-N 464.519 4.797 50 10 JJGE CC1(C)CC(NC(=O)Nc2ccc(C(=O)Nc3ccc(SC#N)cc3)cc2)CC(C)(C)N1 586616095 NKAUQFCDXMQBOU-UHFFFAOYSA-N 451.596 4.943 50 10 JJGE C[C@]1(CBr)CCCN(C(=O)c2scc(Br)c2Br)C1 688874826 MHMXTIGHLKNTKJ-GFCCVEGCSA-N 460.029 4.910 50 10 JJGE C[C@@H](Br)[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1Br 708463479 XGTHRRIWUZOHIH-RNCFNFMXSA-N 454.000 4.990 50 10 JJGE CC1CCN(Cc2cccc(CNC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)c2)CC1 727104611 FTJWWWRTJKBRRI-OVVQPSECSA-N 492.627 4.919 50 10 JJGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NN(Cc2ccccc2)c2ccccc2)CC1 727293481 ODWBFOFMNSOBGS-UHFFFAOYSA-N 456.590 4.688 50 10 JJGE N#C/C(=C\c1ccc(Sc2nc3ccccc3[nH]2)o1)C(=O)N1CCN(c2ccccc2)CC1 1084223455 UQDDAPFCCFXXNO-FBMGVBCBSA-N 455.543 4.563 50 10 JJGE C=CCO[C@H]1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C1 1536716180 ZPARTXAYXJXHFS-QUYTYNJFSA-N 454.368 4.567 50 10 JJGE C=C(C)COc1cccc(NC(=O)NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1 1668761357 TVJAEKJXQITJPC-UHFFFAOYSA-N 453.502 4.718 50 10 JJGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(C)cc2)CCC3)c(OC)c1 1772744349 BWLGKCWICBHAKH-UHFFFAOYSA-N 461.518 4.636 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(N(C)C)cc1)C(C#N)=C(N)O2 1865684182 VSRNBTJDKMNXRM-NRFANRHFSA-N 478.394 4.871 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)ccc1OC(C)C 1865697601 XSRPBSDKYUQBIA-XMMPIXPASA-N 479.540 4.948 50 10 JJGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865706811 GBNHVJNIDGSJCZ-OAQYLSRUSA-N 450.926 4.714 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)c(OC)c1 1865707867 IBZQXCIJPNFKKC-QGZVFWFLSA-N 476.842 4.780 50 10 JJGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)Cc1c(F)cccc1F 1865759606 JERPYLFRTBBQBB-UHFFFAOYSA-N 450.272 4.646 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)cc1OC 1872745550 SJOVYQFIRJALFF-PYCFMQQDSA-N 475.526 4.782 50 10 JJGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CNS(=O)(=O)c2ccc(C)cc2)n1 1872757298 ZARRZORYJFOTQL-ZZEZOPTASA-N 490.006 4.860 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@@](C)(=O)=NCC2(CBr)CCCCC2)C1 1877586857 CJLXVKVJDBLUGR-KVUUWBKYSA-N 451.471 4.733 50 10 JJGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C(=O)[C@@H](Br)C1CCCC1 1955038583 PDUMIVDYRVLAPI-IBGZPJMESA-N 453.421 4.884 50 10 JJGE FC(F)(F)c1c(I)c(CBr)nn1-c1cncc(C2CC2)c1 2078931241 KVVZISHVUSCFOR-UHFFFAOYSA-N 472.046 4.663 50 10 JJGE O=C(N[C@H]1CC[C@H](CCl)CC1)c1cc(I)ccc1Br 2118507788 SKTHHCOPCIFVFY-HOMQSWHASA-N 456.549 4.581 50 10 JJGE CCn1cc(Br)c(COc2cccc(CBr)c2Br)n1 2124740854 DFNZMTVNJUDOAQ-UHFFFAOYSA-N 452.972 4.902 50 10 JJGE CN(C(=O)c1cc(Br)ccc1I)C1(CCCl)CCC1 2140950062 CHFSMGVHCAWFIS-UHFFFAOYSA-N 456.549 4.677 50 10 JJGE C=CCOc1c(I)cc(C=C(C#N)c2cccc([N+](=O)[O-])c2)cc1OC 2294280069 WZWISWKVVLTUFZ-UHFFFAOYSA-N 462.243 4.837 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H](Br)CCC12CC2 2295314112 TXWLGHXFCZTHRG-LLVKDONJSA-N 466.011 4.673 50 10 JJGE CCOc1c(Cl)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 2313568173 SOJLWBJNBYQMEL-UHFFFAOYSA-N 474.786 4.757 50 10 JJGE COc1ccc(C(=O)N[C@@H](CCBr)COCc2ccccc2)cc1Br 2320357976 HWUHIWQTJZKBRZ-INIZCTEOSA-N 471.189 4.558 50 10 JJGE N#CC(=CNc1ccc(N)cc1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324603039 YYGIGUOASMBTSM-UHFFFAOYSA-N 471.992 4.675 50 10 JJGE N#CC(=CNc1ccc(I)cc1)C(=O)Nc1cccc2c(O)cccc12 2324919286 KRQXJWRHTRGISB-UHFFFAOYSA-N 455.255 4.608 50 10 JJGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1[C@H]2COCC[C@H]21 2331287862 AGJHQRRQOJEPJQ-WOPDTQHZSA-N 454.984 4.768 50 10 JJGE CC(C)CO[C@@H]1[C@@H](Cl)C[C@@H]1Oc1cc(Br)cc(I)c1 2338758113 POWHSVRDBFHAOF-MELADBBJSA-N 459.549 4.853 50 10 JJGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccc(OCCc2ccccc2)cc1 14041632 JYOJQEZIRVSPDV-HXUWFJFHSA-N 454.526 4.690 50 10 JJGE O=C(NNC(=O)c1ccccc1Br)c1ccc(CSc2nc3ccccc3[nH]2)cc1 17358526 NRROPFNCLOUGCG-UHFFFAOYSA-N 481.375 4.693 50 10 JJGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C1\CCCc2ccccc21 34846250 HOZKBRSZMNBMNE-SLEBQGDGSA-N 453.571 4.883 50 10 JJGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NCC(C)C)c(=O)oc3c2)cc1 40894399 ROIHNNQIVLABRP-FYJGNVAPSA-N 488.540 4.870 50 10 JJGE COc1c(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)ccc2ccccc12 59167208 SAGOHMSUIBHQQV-LSHDLFTRSA-N 478.140 4.843 50 10 JJGE CCOc1cc(C=NNC(=O)COc2c(C)cccc2C)ccc1OC(=O)c1cccs1 254512644 PHVYNBQXOBCFKZ-UHFFFAOYSA-N 452.532 4.512 50 10 JJGE COc1ccccc1OCC(=O)NN=Cc1c(OC(=O)c2ccc(C)cc2)ccc2ccccc12 254837725 OPEXCSPVHCESTM-UHFFFAOYSA-N 468.509 4.905 50 10 JJGE C[C@@H](NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C1(CBr)CC1 696078523 GWVLYRVQSBAHGL-SSDOTTSWSA-N 466.022 4.598 50 10 JJGE Cc1cccc(C(=O)N2CCC[C@H](C)[C@@H]2CCBr)c1I 697200076 KHSLTCNDMUPUON-FZMZJTMJSA-N 450.158 4.625 50 10 JJGE COc1cc(C[C@@H](Br)c2ccc(I)c(Br)c2)ncn1 721581560 YPVWAAZMFUBKLI-SNVBAGLBSA-N 497.956 4.531 50 10 JJGE CCOc1cc(C=NNC(=O)c2ccccc2NC(=O)c2ccccc2C)cc(Br)c1O 1084406894 AHKOWVNNHMGWCA-UHFFFAOYSA-N 496.361 4.878 50 10 JJGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2cc3ccccc3nc2Cl)cc1)c1ccccc1 1084600474 KHSIHOJBQOMOCG-UHFFFAOYSA-N 492.988 4.618 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2ccc([N+](=O)[O-])cc2Cl)[C@@H](CBr)C1 1614634869 GXJKVXGHKWQGCU-YOEHRIQHSA-N 453.720 4.995 50 10 JJGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744072 RJZMRLMEICMANN-UHFFFAOYSA-N 485.028 4.751 50 10 JJGE Cc1c(C(=O)NC(C)(C)C)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772748753 DIESPUCBCMNINP-UHFFFAOYSA-N 466.365 4.659 50 10 JJGE CCOc1cc(OCC)cc(C(=O)Nc2cccc(C(=O)Nc3ccc(SC#N)cc3)n2)c1 1860569906 ASZAWPPNFHANFJ-UHFFFAOYSA-N 462.531 4.957 50 10 JJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)c1 1865691768 AJRGSAPSUJYYQW-DEOSSOPVSA-N 482.515 4.973 50 10 JJGE COc1ccccc1-c1ccc(C(=O)NNC(=O)COc2ccc(C)cc2C(C)(C)C)c(C)n1 1865760103 GTLOULKGALDHTH-UHFFFAOYSA-N 461.562 4.512 50 10 JJGE CC(C)[C@@H](C(=O)N[C@H](C)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866973787 GHUCFHPSWMPWOR-AUUYWEPGSA-N 460.397 4.905 50 10 JJGE Cc1[nH]nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c1-c1ccccc1 1867275743 MNUSXWWUXKOYSF-QHCPKHFHSA-N 481.581 4.938 50 10 JJGE COc1cc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OCc1ccc(Cl)cc1 1873793095 WKKGYPRMXQMOGY-VATWTLTGSA-N 490.000 4.927 50 10 JJGE CC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)o2)cc1 1873793356 KWVXZIKMGATHFE-TUJXVDMFSA-N 475.545 4.735 50 10 JJGE O=S(=O)(Nc1ccc(F)c(CBr)c1)c1cc(Cl)c(Br)s1 1924908678 YDIQYLYYLXGPMW-UHFFFAOYSA-N 463.575 4.999 50 10 JJGE COc1cc(Br)c(C)cc1[C@H](Br)c1cnn(C)c1Br 2089732486 IUHLJRXHHJSIAP-LBPRGKRZSA-N 452.972 4.746 50 10 JJGE CS(=O)(=O)c1csc([C@H](Cl)c2cc(Br)ccc2I)c1 2093077459 RXCSTTMCKSLORN-GFCCVEGCSA-N 491.597 4.847 50 10 JJGE O=C(NC[C@H](Br)CC(F)(F)F)c1ccc(Br)cc1Br 2119066262 QIWIQRNHWSZHRM-SSDOTTSWSA-N 467.905 4.657 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CCC2(CC1)C[C@@H]2CBr 2148909583 KIJIVIASFRRESE-SNVBAGLBSA-N 466.011 4.849 50 10 JJGE CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)c(Cl)c1 2179793545 VSELECLNXFXEFL-GOSISDBHSA-N 471.848 4.520 50 10 JJGE Brc1ccc([C@H](CI)OCC23CCC(CC2)OC3)cc1 2203672793 LQFWYVDRABGDTK-PCKAHOCUSA-N 451.142 4.901 50 10 JJGE Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2CCBr)cc1I 2232838935 NRARGWOCZWABNG-DOMZBBRYSA-N 450.158 4.673 50 10 JJGE COc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1ccc(OC(=O)c2ccc(C)cc2)cc1 2295459791 YKEGGKFVCAAHRG-UHFFFAOYSA-N 457.442 4.677 50 10 JJGE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(OC)cc2)cc1 2296543599 PKSSCIRJSWNEGH-UHFFFAOYSA-N 466.497 4.603 50 10 JJGE COc1cccc(-c2csc(C(C#N)=CNc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)n2)c1 2297482048 ZPOLBBYOKPBBBX-UHFFFAOYSA-N 493.570 4.893 50 10 JJGE COc1cc(C=C(C#N)C(N)=O)c(Br)cc1OCc1ccc(Cl)cc1Cl 2297561981 RCMFIJJRXSTQPJ-UHFFFAOYSA-N 456.123 4.736 50 10 JJGE CC1(C)CC(CBr)(CN2CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)C1 2371149614 VGBKQCNYCXWQMC-KBPBESRZSA-N 457.375 4.965 50 10 JJGE CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 9872660 QKKIASZNLCJKDM-ICSRJNTNSA-N 473.573 4.989 50 10 JJGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(C)c3)ccc21 38650496 PWQLEDZMJYPUSQ-SANMLTNESA-N 456.498 4.596 50 10 JJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1 38683253 BNASHCJKRWHTFT-QFIPXVFZSA-N 460.873 4.564 50 10 JJGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)Nc1ccc(F)cc1 39858899 MDPWOUBACRMIMF-JXAWBTAJSA-N 454.461 4.788 50 10 JJGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813273 AJVKVDULFVVXIK-TURZUDJPSA-N 493.947 4.775 50 10 JJGE O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl 48572846 MTOJBIRCZAUCRW-MZJWZYIUSA-N 478.339 4.935 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)OC)cc3C)c2C)cc1 58894424 HDSASWGAAMKIAY-AZFAFLPTSA-N 491.588 4.552 50 10 JJGE COc1cc(/C=C(/C#N)c2nnc3n2CCCCC3)ccc1OC(=O)c1ccc(Br)o1 83923513 ILEAFPGENNJSLS-PTNGSMBKSA-N 483.322 4.652 50 10 JJGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2)cc1 100154356 ZQWKCSGTTUHMIL-UHFFFAOYSA-N 485.650 4.874 50 10 JJGE CC(C)([C@H](Br)c1cc(Br)c(Br)s1)S(C)(=O)=O 128229362 RTQYONHSMSTKEN-SSDOTTSWSA-N 455.031 4.532 50 10 JJGE COc1ccc(/C=C(/C#N)C(=O)N(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 207129232 HEXBVDVFHCPPLS-JWGURIENSA-N 460.555 4.950 50 10 JJGE O=S(=O)(NCCCCCBr)c1c(Cl)cc(Br)cc1Cl 229238134 RYJLEIWYZJSHSR-UHFFFAOYSA-N 454.011 4.599 50 10 JJGE O=C(c1cc(Br)sc1Br)N1[C@H]2CC[C@H]1CC(Br)C2 232458041 ORAHIYWNEIVGGY-YUMQZZPRSA-N 458.013 4.804 50 10 JJGE COc1cc(C=NNC(=O)c2cc(Cl)c(O)c(Cl)c2)ccc1OC(=O)c1ccccc1 254790471 DSCOQVPAKYUKOW-UHFFFAOYSA-N 459.285 4.691 50 10 JJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C)cc3)cc2)cc1 254822825 OPDRQOAEDFJOBM-UHFFFAOYSA-N 460.530 4.922 50 10 JJGE C[C@@H]1CCCN(c2ncc(C(F)(F)F)cc2I)[C@H]1CBr 686115639 VQYBLWNIZFNUPK-KCJUWKMLSA-N 463.079 4.705 50 10 JJGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCCS2(=O)=O)cc1Br 694615090 MNULOTHPLLQZIA-NWDGAFQWSA-N 461.013 4.533 50 10 JJGE C[C@H]1CCN(C(=O)c2cc(Br)ccc2Br)C[C@H]1CBr 700431627 ITPNMVWYWKOMDN-VHSXEESVSA-N 454.000 4.705 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)NCc2cc(-c3ccccc3)on2)c(-c2ccc(Cl)cc2)n1 726776323 HBLKCKIQMGTZAC-MOSHPQCFSA-N 482.931 4.996 50 10 JJGE N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)N1CCN(c2ccccc2)CC1 1083980809 UXASKCPTRLHEFC-SAPNQHFASA-N 462.893 4.764 50 10 JJGE COc1ccccc1C(=O)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1084497845 WAKAAACQKMURTO-UHFFFAOYSA-N 461.521 4.966 50 10 JJGE C=CCN(c1ccc(C(=O)NN=Cc2cccc(Br)c2)cc1)S(=O)(=O)c1ccccc1 1084614523 ABFXVWJYRANTFT-UHFFFAOYSA-N 498.402 4.594 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)ccc1OCc1ccccc1 1865694456 VRUREBGTRDXLCA-IBGZPJMESA-N 470.451 4.635 50 10 JJGE Cn1cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)c(Cl)c1 1865699570 XFHSXVQOEZBOBO-HNNXBMFYSA-N 468.266 4.814 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)ccc1O 1865706440 WTHFXVLRDDZFQK-HSZRJFAPSA-N 468.488 4.670 50 10 JJGE O=S(=O)(c1cc(Br)cs1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915167373 VHQDJPUUUVIQBQ-HNNXBMFYSA-N 479.259 4.875 50 10 JJGE CC(C)CCN(CCCl)C(=O)c1ccc(I)c(Br)c1 1924456822 IRPGVSPFHTYFSA-UHFFFAOYSA-N 458.565 4.781 50 10 JJGE Fc1cc(Br)cc(N2C[C@H]3C[C@H]2CN3Cc2ccccc2)c1CBr 2004046355 XUOLIUHZOYDMMI-CVEARBPZSA-N 454.181 4.946 50 10 JJGE C[C@@H]1CC[C@@H](CBr)CN1C(=O)c1csc(Br)c1Br 2032958918 PGYGKCTZXFUCKL-SFYZADRCSA-N 460.029 4.909 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Br)cc(Br)c2)[C@H](C)C[C@H]1Br 2093110859 FYZVNVZBECIHOM-JRKPZEMJSA-N 454.000 4.846 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@@H]2CC[C@H](Br)C[C@H]2C1 2093941933 GMCKPRLVKVXHMS-CIUDSAMLSA-N 472.040 4.909 50 10 JJGE Oc1nc2cc([C@H](Br)c3cc(Br)sn3)c(Br)cc2[nH]1 2120038719 KGOKIUPGXUHNKO-JTQLQIEISA-N 467.968 4.734 50 10 JJGE CC(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1c(Br)cccc1Br 2126091338 AJPKOWWUYIDHKI-WCQYABFASA-N 454.000 4.846 50 10 JJGE CC(C)(C)[C@]1(CCl)CCN(c2ncc(I)cc2Br)C1 2133383134 CKSQMCHMZZSCOM-AWEZNQCLSA-N 457.581 4.930 50 10 JJGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCC[C@H](CCBr)CC1 2149734233 ZPMMPAYKUQOHTL-SECBINFHSA-N 465.660 4.740 50 10 JJGE O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N1CC=C(Br)CC1 2179830180 IUTXSOHRPMUNCO-UHFFFAOYSA-N 464.006 4.562 50 10 JJGE Cc1cccc(C(=O)N2CC[C@H](Br)[C@@H]2C(C)(C)C)c1I 2185098647 ACYRLIGPBRHPBC-GXTWGEPZSA-N 450.158 4.624 50 10 JJGE CN(Cc1ccc(I)c(Br)c1)[C@@H]1CCC[C@H]1Br 2306222799 YTHQTNDSCINCOE-ZWNOBZJWSA-N 472.990 4.802 50 10 JJGE CC(C)(CI)CN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C1CC1 2306814180 AHCLWKRNDTVENX-INIZCTEOSA-N 450.405 4.702 50 10 JJGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)N1CCN(c2ccccc2)CC1 2313545936 PTUGHISBVXDEJX-UHFFFAOYSA-N 462.893 4.764 50 10 JJGE COc1cc(C=C(C#N)c2ccccc2F)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2320506053 AOAJOSPEVZMIRN-UHFFFAOYSA-N 463.377 4.934 50 10 JJGE C[C@@H]1c2ccc(CNC(=O)C(C#N)=Cc3ccc(Cl)cc3)n2CCN1C(=O)OC(C)(C)C 2329644859 OPYXDYALSGYBDD-MRXNPFEDSA-N 454.958 4.677 50 10 JJGE Clc1ccc(I)cc1CN1C[C@H]2C[C@@H](Br)CC[C@H]2C1 2352418248 SGMLKTWBDOJMTN-LOWVWBTDSA-N 454.577 4.940 50 10 JJGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 1889022 IDOYFWYOZMMFSU-WGHBEHPSSA-N 481.936 4.815 50 10 JJGE CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 9872524 LHNKYQRPLDLECO-SOUVJXGZSA-N 453.366 4.889 50 10 JJGE CC(C)(C)c1ccc(C(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 13978973 INEMVEMSVIOWEU-UHFFFAOYSA-N 482.433 4.786 50 10 JJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(OCC(C)C)cc2)c(Br)c1 14832342 UIWZSYVOTLZLND-MRXNPFEDSA-N 477.399 4.837 50 10 JJGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 38654771 JXLVOLFIIDKKHP-DEOSSOPVSA-N 469.453 4.597 50 10 JJGE COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2cc(C)cc(C)c2)nc2ccccn2c1=O 39858771 NQSXGFCIDFGZFA-CYVLTUHYSA-N 466.497 4.658 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1 40879003 JYVITEXWZKYHDK-HZHRSRAPSA-N 470.525 4.778 50 10 JJGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1OC 48572909 MFZWGVQOTMOPDA-OGLMXYFKSA-N 460.530 4.984 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(C)c([N+](=O)[O-])c3)c2C)cc1 58893373 QJNNUQINFQWZRT-SDEVNZIBSA-N 478.549 4.673 50 10 JJGE COc1ccc(C(=O)N/N=C/c2ccc(Sc3nc4ccccc4c(=O)n3-c3ccccc3)o2)cc1 59392327 JPAVVWHHQXZADT-OGLMXYFKSA-N 496.548 4.902 50 10 JJGE COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OC)c(COc3ccc([N+](=O)[O-])c(C)c3)c2)cc1 98063459 PTSIOGFSNMUGSD-BKUYFWCQSA-N 487.512 4.723 50 10 JJGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241078 MCPNOIMKLNEEQC-OGCOBRASSA-N 487.556 4.577 50 10 JJGE N#C[C@H](C(=O)Cc1ccccc1[N+](=O)[O-])[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102697112 DEEATIJWCRTHSZ-MUUNZHRXSA-N 465.469 4.593 50 10 JJGE CCCCCCCOc1ccc(/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 214424174 WFCHEXUSJZXJKT-JWGURIENSA-N 482.577 4.590 50 10 JJGE COc1ccccc1N[C@H](C)C(=O)NN=Cc1ccccc1OCc1ccc(Br)cc1 251536780 HUMWVRIJYCPJPW-QGZVFWFLSA-N 482.378 4.987 50 10 JJGE Cc1nc(C)c(C(=O)NN=C/C=C\c2ccccc2)cc1C(=O)NN=C/C=C\c1ccccc1 254870850 HLQDVAVUBDKUEJ-NRCUAKOJSA-N 451.530 4.556 50 10 JJGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C[C@H]1CN(Cc2ccccc2)CCO1 312630799 MJOVXGMNVWOHNO-CRAIPNDOSA-N 495.792 4.842 50 10 JJGE CN(C(=O)c1cc(Br)ccc1I)C(C)(C)CCBr 688397848 NNNWVBJHGNPIBI-UHFFFAOYSA-N 488.989 4.689 50 10 JJGE Cc1c(COc2c(Br)cc(CBr)cc2Br)cnn1C 708394048 YTUZBRPKSAZZAT-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE Cc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)cc1C 1084399086 SXKNELSSEUNLBQ-UHFFFAOYSA-N 467.367 4.562 50 10 JJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 1865710161 PYATXBKHPFFWEA-SFHVURJKSA-N 456.289 4.868 50 10 JJGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)C[C@@H]2CC(=O)c3ccccc32)c2ccccc2)cc1 1867244841 ZWSQCYLMDAFYQD-BVZFJXPGSA-N 455.539 4.816 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1C 1872746314 BYQQAHXHWVRUAR-NKFKGCMQSA-N 478.530 4.822 50 10 JJGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)CC1=O 1872746791 YIONDHBQDGKBFJ-AOVJEQHFSA-N 489.553 4.760 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 1873794911 IOFOFERMRGLQCM-WNFNFYEPSA-N 457.958 4.769 50 10 JJGE Cc1ccnnc1COc1c(Br)cc(CBr)cc1Br 1877784811 NURPNEGHVFMAGL-UHFFFAOYSA-N 450.956 4.784 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@H](Br)Cc1cc(Cl)cc(Br)c1 1884188332 YSKQFQTWMOSECN-GFCCVEGCSA-N 457.549 4.705 50 10 JJGE C[C@@H](N)Cc1cc(Br)c(OC[C@H]2C[C@H](Br)C2)c(Br)c1 1887900552 FQAILLCPXCLVNJ-FBIMIBRVSA-N 456.016 4.654 50 10 JJGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CCl)c1 1915492520 WFESOVJUDGADME-UHFFFAOYSA-N 460.821 4.804 50 10 JJGE CCOc1c(Br)cc(CNN(C)C(=O)OCc2ccccc2)cc1Br 1928215003 KTJOTBCOWWJXSF-UHFFFAOYSA-N 472.177 4.884 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCC(C)(C)C(F)(F)F)C1 1945433819 KPUGTJXNIXDWSJ-OAHLLOKOSA-N 465.294 4.796 50 10 JJGE C[C@@]12CN(C(=O)c3cc(Br)c(Br)s3)C[C@]1(CBr)C2 2046797581 JUTVPHMQVWULFQ-VXGBXAGGSA-N 458.013 4.520 50 10 JJGE CC1(C)C[C@H](Br)CCN1C(=O)c1cc(Br)cc(Br)c1 2113585686 HNTQWKXAIZLNNR-SNVBAGLBSA-N 454.000 4.990 50 10 JJGE CC(C)(C)OC(=O)NCC[S@](=O)(=NC[C@H](CBr)CC1CC1)c1ccccc1 2169173798 VPZFIDUWONUSHT-CBZJRKILSA-N 459.450 4.849 50 10 JJGE Fc1cc2c(cc1Br)nc(CCl)n2C[C@@H]1COCCN1Cc1ccccc1 2194648883 KAEHWZSCXFCQRM-OAHLLOKOSA-N 452.755 4.578 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@]2(CCCN(CCCCCI)C2)C1 2214704424 DLPFQLWVTGKOLG-IBGZPJMESA-N 450.405 4.705 50 10 JJGE CC[C@@H](C)[C@H](Br)CNC(=O)Cc1cc(Br)cc(Br)c1 2277931812 IKLMHFIEWKDMAW-NOZJJQNGSA-N 456.016 4.680 50 10 JJGE COC(=O)c1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)cc1 2293430010 VHOWXTFANMSHRN-UHFFFAOYSA-N 490.899 4.949 50 10 JJGE N#CC(=Cc1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)NC[C@H]1CCCO1 2313671196 PNCLKQDKTTUQDC-OAQYLSRUSA-N 464.363 4.654 50 10 JJGE CC(C)COc1ccc(C=NNC(=O)c2cc(-c3ccccc3)nc(N3CCCCC3)n2)cc1 2323756247 ACAITDXYGHKTSI-UHFFFAOYSA-N 457.578 4.933 50 10 JJGE COc1cc(C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 2331030213 IBBBVIIIWRNMKF-UHFFFAOYSA-N 453.903 4.906 50 10 JJGE COC1CC2(C1)CC(O[C@@H](CI)c1ccc(Br)cc1)C2 2361323527 HZZOXUIQGPZHDE-UFFJXHMVSA-N 451.142 4.899 50 10 JJGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 10683684 JHYGJMHLHPPQMN-KSSFIOAISA-N 497.817 5.000 50 10 JJGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 14652698 MZVHPDLXEAFPOA-NSHDSACASA-N 490.181 4.773 50 10 JJGE O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1csc(-n2nc(-c3ccccc3)cc2C(F)(F)F)n1 33434045 ZGLYYHZVDZXZTB-GATIEOLUSA-N 486.435 4.687 50 10 JJGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC)c(OC)c2)c1 38659624 URGFPRDXEHZDGO-AREMUKBSSA-N 486.524 4.930 50 10 JJGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Nc1cccc(Cl)c1Cl 40778637 MMMCFOIKOVCLBM-UHFFFAOYSA-N 468.142 4.629 50 10 JJGE CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1 40928717 GPYLMEGJYJSOCN-QAOSGDJLSA-N 481.508 4.804 50 10 JJGE Cc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(Br)cc1F 58890688 XGSSOMYTWRPYJO-RMWBRQFISA-N 472.358 4.960 50 10 JJGE COc1ccc(-c2nn(CCC#N)cc2/C=C(/C#N)C(=O)N(C)CCOc2cc(C)cc(C)c2)cc1 96993790 LLVRWDHFFDRBNQ-QJOMJCCJSA-N 483.572 4.534 50 10 JJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC)C(=O)C(C#N)=C2C)cc1 101303365 WPUBTOAAGDBGPZ-LFVJCYFKSA-N 464.525 4.716 50 10 JJGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)NCc1ccccc1Cl 216746072 BLJUOQWFSQMBIR-DAFNUICNSA-N 471.004 4.771 50 10 JJGE COc1cc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2cccc(C)c2)cc(OC)c1OC 254304668 ZTDPIGVKVGFNKI-UHFFFAOYSA-N 470.529 4.637 50 10 JJGE Cc1cnc2c(c1)nc(CCl)n2-c1ccc(I)cc1Br 312317426 YVVMGGLFZJQNRD-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE Fc1cc2c(cc1I)nc(CCl)n2C1[C@@H]2CN(Cc3ccccc3)C[C@@H]12 398458959 RDXGKFANOFEETR-ZIAGYGMSSA-N 481.740 4.822 50 10 JJGE C[C@H]1CCCN(C(=O)c2cc(Br)sc2Br)[C@H]1CBr 688621883 HYOJXBVHQAGNMQ-CBAPKCEASA-N 460.029 4.909 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3F)c(OC)c2)cc1 1084038288 OOFGVDLSJGQGLS-DEOSSOPVSA-N 480.536 4.776 50 10 JJGE C#CCOc1ccc(F)cc1NC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 1465779545 LKMPJDDZXGMJTK-UHFFFAOYSA-N 454.461 4.519 50 10 JJGE Cc1ccc(C(=O)CCC(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 1860822412 CVXKHZPFCLSQST-GNVQSUKOSA-N 459.933 4.679 50 10 JJGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865706863 HJWWJKMVYJETNX-LJQANCHMSA-N 489.334 4.872 50 10 JJGE COc1cc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccccc4C3=O)n2)c(OC)cc1Cl 1872755033 VLNUSPJOUKNIAA-SDXDJHTJSA-N 481.917 4.570 50 10 JJGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)c1cccc(Br)c1 1915766570 DFEGOWOYKRKWBU-UHFFFAOYSA-N 461.219 4.814 50 10 JJGE C[C@@H]1CN(C(=O)c2csc(Br)c2Br)[C@H](C)C[C@@H]1Br 2032953565 LQYLDHQFFJWYMX-BHNWBGBOSA-N 460.029 4.907 50 10 JJGE C[C@H]1CN(C(=O)c2csc(Br)c2Br)CC[C@H]1CBr 2046679956 QCADTTUFDYFMQD-YUMQZZPRSA-N 460.029 4.766 50 10 JJGE CCC[C@H]1CN(c2ncc(I)cc2Br)C[C@@H]1CBr 2084891073 XEQPISGBCYNSBO-UWVGGRQHSA-N 488.005 4.696 50 10 JJGE CCOCCOCCOc1c(Br)cc(Br)cc1CBr 2087541077 BGTXOEGKQHZJLA-UHFFFAOYSA-N 460.988 4.538 50 10 JJGE C[C@H]1CN(C(=O)c2cccc(Br)c2Br)C[C@@]1(C)CBr 2092332796 JTCYLGNFGZWSCR-LKFCYVNXSA-N 454.000 4.705 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CC[C@H](Br)CC12CC2 2113561151 IXNIRMHRMOBIQS-JTQLQIEISA-N 498.984 4.586 50 10 JJGE CC1(C)C[C@H](Br)CCN1C(=O)c1cccc(Br)c1Br 2113594532 VEWCZIPRWGNDFR-SECBINFHSA-N 454.000 4.990 50 10 JJGE C[C@@]1(CCBr)CCN(C(=O)c2cc(Br)ccc2Br)C1 2131898390 FMZKDQADEJZWIH-CQSZACIVSA-N 454.000 4.849 50 10 JJGE C[C@H]1C[C@@H]1N(CCBr)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2167106862 NYEVLPISEROOPZ-CPCISQLKSA-N 466.022 4.550 50 10 JJGE ClCc1nc2cc(Br)cnc2n1Cc1cccc(I)c1 2175856024 YBKKLPJJRCGPAS-UHFFFAOYSA-N 462.516 4.586 50 10 JJGE CC(C)(C)[C@H]1[C@@H](Br)CCN1C(=O)c1cc(Cl)ccc1I 2185101073 VTNVDKZGSQLWHA-WCQYABFASA-N 470.576 4.969 50 10 JJGE O=S(=O)(c1cc(F)c(Cl)c(CBr)c1)N1CCC[C@H](OCc2ccccc2)C1 2186388308 CPZCIOBVWDJVQF-INIZCTEOSA-N 476.795 4.744 50 10 JJGE CC(C)(C)OC(=O)N1CC[S@](=O)(=NC[C@@H](CBr)c2ccccc2)C(C)(C)C1 2189324580 FWNNMANZYRLHHV-XGCWNURASA-N 459.450 4.662 50 10 JJGE Cc1ccc(C(=O)N(CCBr)Cc2ccsc2)cc1I 2232831833 VIETVNPLDSVOSS-UHFFFAOYSA-N 464.166 4.698 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1scc(Br)c1Cl 2246481727 WVJGNFTYOZRKLI-UHFFFAOYSA-N 475.883 4.800 50 10 JJGE C[C@@]1(CBr)C=CCCN1C(=O)c1ccc(Cl)c(I)c1 2268341521 DXVYEZATFZEHAI-AWEZNQCLSA-N 454.533 4.500 50 10 JJGE O=C(N[C@@]1(CBr)C[C@H]2CC[C@H]1C2)c1cc(Br)ccc1Br 2283931298 CESXYMOLVPHOSP-AMJWSMQMSA-N 466.011 4.895 50 10 JJGE FC1(F)C[C@]1(CBr)COc1cc(Br)cc(I)c1 2306898822 FQUIEIKTCJEBFX-JTQLQIEISA-N 481.900 4.853 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2314620146 KMKOTWYLPXITKP-UHFFFAOYSA-N 457.417 4.786 50 10 JJGE C[C@H](NC(=O)C(C#N)=CNCCc1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2 2324904628 NOZDZPNWDFFYRS-QNHAZURESA-N 456.428 4.710 50 10 JJGE BrCC1(OCc2ccc(I)c(Br)c2)CCOCC1 2325370303 COXSGEQHHLMFEI-UHFFFAOYSA-N 489.973 4.514 50 10 JJGE COc1cccc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c1OCc1ccccc1F 2328824659 KLZYZRQTUKYYOU-NRFANRHFSA-N 487.572 4.803 50 10 JJGE COc1cccc(-c2csc(C(C#N)=C(O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c1 2331246674 LMBGPPLBWOTKMX-OAQYLSRUSA-N 459.527 4.932 50 10 JJGE CC(C)CN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)cc2C1=O 2331333841 HIUXWIHYJPTXPG-UHFFFAOYSA-N 473.510 4.741 50 10 JJGE CS(=O)(=O)C1([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)CC1 2335288704 IIXMNAMSQWBDHT-SNVBAGLBSA-N 454.970 4.908 50 10 JJGE C[C@H](Br)C[C@H]1CCCN1C(=O)c1ccc(Cl)cc1I 2340058360 QTXWLLYUFXZJOG-GXSJLCMTSA-N 456.549 4.723 50 10 JJGE CC1(C)C[C@@H](CBr)N(C(=O)c2ccc(Cl)cc2I)C1 2340060601 DXPMBZGHJUPGJT-JTQLQIEISA-N 456.549 4.580 50 10 JJGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(Cl)cc1Cl 9231578 KSKKCERIYHIZDR-UHFFFAOYSA-N 460.155 4.719 50 10 JJGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1cccs1 12491382 NDHBLIVAQVIYMN-AWQFTUOYSA-N 468.170 4.955 50 10 JJGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1 12492722 XSENRBUPKZGVHT-UHFFFAOYSA-N 460.372 4.560 50 10 JJGE CCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1Br 14647372 UPZNEEOSPAXDHS-UHFFFAOYSA-N 496.361 4.565 50 10 JJGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14649969 KFRGQXHSZMQGOD-INIZCTEOSA-N 499.405 4.894 50 10 JJGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(\C#N)C(=O)NCCc2ccccc2)cc1 16739715 JCLWGOJGSISLEN-CHTIKVTKSA-N 485.584 4.919 50 10 JJGE Cn1c(-c2ccc(C(=O)NNC(=O)C(c3ccccc3)c3ccccc3)s2)nc2ccccc21 35553901 UPFYQSMMYIMITP-UHFFFAOYSA-N 466.566 4.895 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccccc1Cl 40870065 ZOPOWBPBDAVAOJ-DEDYPNTBSA-N 476.916 4.556 50 10 JJGE COc1ccc(CCN(C(=O)CCl)[C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)cc1OC 97915037 ILTGITNDOKQOPR-XMMPIXPASA-N 493.431 4.767 50 10 JJGE CCN(CC)C1=CC(=O)/C(=C/NNC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)C=C1 136738975 QDZJCWGKHGPUCZ-DYTRJAOYSA-N 452.558 4.693 50 10 JJGE C=CC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NS(=O)(=O)c1ccc(C)cc1 200325131 LBOGENONRVIXPK-DEOSSOPVSA-N 493.745 4.795 50 10 JJGE C[C@H](N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)[C@H]1C[C@H]2CC[C@H]1C2 244148754 UTQCVMLLJMWEHS-BKTBCGHXSA-N 468.645 4.742 50 10 JJGE COc1cc2c(cc1NC(=O)C(=O)NN=C(C)CC(=O)NC1CCCCCCC1)oc1ccccc12 252642371 ZLLMIQSMIXSBNH-UHFFFAOYSA-N 492.576 4.644 50 10 JJGE O=C(NN=Cc1ccc(OC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1)c1ccco1 254532244 WIMDHHOOLRVOKC-FQEVSTJZSA-N 453.498 4.591 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cccc(OC)c3)cc2OCC)cc1 254709765 BQZDKOSKJCAILR-UHFFFAOYSA-N 476.529 4.866 50 10 JJGE CN(C)[C@H](CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)c1ccc(F)cc1 918653106 DZYPNIVPPCERBV-FTAOIEMSSA-N 490.970 4.582 50 10 JJGE CC(=O)N(c1ccccc1)c1nc(/C=C\C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cs1 1086845344 CZSZOZMWXOAANQ-FPLPWBNLSA-N 478.618 4.595 50 10 JJGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1Cl)CCC2 1772744628 YXYLTKBPTHDBSQ-UHFFFAOYSA-N 493.947 4.775 50 10 JJGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865698191 MTCAPBVHSDMQKN-OAQYLSRUSA-N 483.355 4.790 50 10 JJGE O=C(N[C@H](CBr)CC1CCCC1)c1cccc(F)c1I 1926757241 MXOXMZLTOOEBQH-NSHDSACASA-N 454.121 4.504 50 10 JJGE CCN(C[C@@](C)(CI)OC[C@H]1C[C@H]2CC[C@H]1C2)C(=O)OC(C)(C)C 1997929798 NFEVNHYTUYNMFZ-YIOZNXECSA-N 451.389 4.890 50 10 JJGE CC1(C)[C@@H](Br)CC[C@@H]1NC(=O)c1cc(Br)c(Br)s1 2086023665 GNVNZEDKIUMGQD-IUCAKERBSA-N 460.029 4.955 50 10 JJGE CN([C@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(CCl)ccc1Br 2100208772 XMTGFXCJKMNCKY-ROUUACIJSA-N 458.805 4.556 50 10 JJGE C[C@H](NC(=O)c1ccc(I)c(Cl)c1)[C@H]1CCC[C@@H]1Br 2111557101 DYCAGVMOSBHAOO-GDPRMGEGSA-N 456.549 4.627 50 10 JJGE O=C(N[C@@H](CBr)c1cccs1)c1cc(Cl)ccc1I 2119040710 WDFMNJXIHZSELC-NSHDSACASA-N 470.557 4.872 50 10 JJGE Clc1cc(CN2C[C@H](CBr)C3(CCC3)C2)ccc1I 2142943095 JMDRNAWBOLNNDN-LBPRGKRZSA-N 454.577 4.942 50 10 JJGE Fc1ccc(-n2c(CCl)nc3cncc(Br)c32)c(I)c1 2151788469 AVFGTYJMMQNMQJ-UHFFFAOYSA-N 466.479 4.666 50 10 JJGE Cc1c([C@H](Br)c2cc(Br)cc3c2OCC3)c(Br)nn1C 2188146820 XXAFREKAOKYUBM-GFCCVEGCSA-N 464.983 4.673 50 10 JJGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)Cc1ncsc1Br 2213759681 QLXMBUDTESCHIF-OAHLLOKOSA-N 496.290 4.657 50 10 JJGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CCn2ncnc2C1 2233981510 JLHJXIHQANONJC-FUXBKTLASA-N 467.962 4.641 50 10 JJGE Cc1ccc(I)c(C(=O)N[C@H]2C[C@@H](Br)CC(C)(C)C2)c1 2240924094 JYBYATCOWXSQAJ-NEPJUHHUSA-N 450.158 4.672 50 10 JJGE Cc1ccc(I)c(C(=O)NC[C@H]2CCCC[C@H](Br)C2)c1 2240924472 LULJKKOKNUPNLF-STQMWFEESA-N 450.158 4.673 50 10 JJGE CN(C(=O)c1ccc(Cl)c(I)c1)[C@H]1CCCC[C@@H]1Br 2268345579 GSKSJTIUUDMOML-GWCFXTLKSA-N 456.549 4.723 50 10 JJGE BrC[C@@H]1CC[C@@H]2CN(Cc3c(Br)cccc3Br)C[C@H]2O1 2289188835 SLOJAMADDSHDIG-JRPNMDOOSA-N 468.027 4.586 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1CCCCC[C@H]1Br 2295316004 SHOJLBNAAIHEMA-ZIAGYGMSSA-N 468.027 4.967 50 10 JJGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccccc2)c1C 2296543482 GCCSZPFHKUGXOL-UHFFFAOYSA-N 471.538 4.750 50 10 JJGE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2296718469 JURQCMXCLHQXIW-UHFFFAOYSA-N 450.498 4.903 50 10 JJGE CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc1OC 2313519002 NHATZUYBRNOUDP-UHFFFAOYSA-N 482.705 4.898 50 10 JJGE COc1ccc(Cc2nc3ccc(C(=O)NN=Cc4ccc(C(F)(F)F)cc4)cc3[nH]2)cc1 2323720861 MVQKFFZIGZTTPD-UHFFFAOYSA-N 452.436 4.945 50 10 JJGE COc1cc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)ccc1OCc1ccccc1 2328835243 QHVLKJBQHDDPDF-UHFFFAOYSA-N 469.582 4.809 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)c(OC)c1OC 2331413868 RKEKVJRSXLZMIQ-UHFFFAOYSA-N 498.473 4.911 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2CC[C@H]1C[C@H]2Br 2337063471 CIDZSLNWIXCYSS-OXHMUOHRSA-N 451.984 4.600 50 10 JJGE CCc1nn(-c2ccnc(Cl)c2CBr)c(CC)c1I 2344841594 AJDRZKBUTFJFDL-UHFFFAOYSA-N 454.537 4.545 50 10 JJGE CCn1nc(Br)c(C[C@@H](CBr)c2ccc(Br)cc2)n1 2351793199 ODFHECREDNDISA-JTQLQIEISA-N 451.988 4.544 50 10 JJGE CC(C)c1ccc(-c2csc3nc(SCC(=O)N/N=C/c4ccc(O)cc4)[nH]c(=O)c23)cc1 9043033 VMJSQVZFEOWQPH-OPEKNORGSA-N 478.599 4.723 50 10 JJGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 10683123 AEJIKJZLWFQTAL-KKSFZXQISA-N 474.001 4.886 50 10 JJGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccccc2[C@H](C)CC)cc1Br 14041236 PVVZYZBZAZSDSQ-MRXNPFEDSA-N 477.399 4.982 50 10 JJGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])cc1 38654930 UJXADOBMCLKOAS-XMMPIXPASA-N 491.887 4.759 50 10 JJGE CCN(c1cccc(C)c1)c1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40572505 YNXCGQVTNIVXFW-UHFFFAOYSA-N 491.335 4.680 50 10 JJGE O=C1Cc2cc([C@H](Br)c3ccc(I)cc3)c(Cl)cc2N1 109872983 WXSGEOQQIZIXPM-OAHLLOKOSA-N 462.512 4.924 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C(C)C)C(=O)C(C#N)=C2C)c(C)c1 214249235 AZGIVNNJDYLSOR-OYKKKHCWSA-N 466.541 4.857 50 10 JJGE CC(C)C(=O)[C@@H](Br)Cc1cc(Br)ccc1I 300896866 IQYQGJLRCDEXNR-JTQLQIEISA-N 459.947 4.585 50 10 JJGE COc1c(C)cc(Br)c(C)c1[C@@H](Cl)c1cnn(C)c1I 381923987 PNUCHOHQNNAFKB-LBPRGKRZSA-N 469.548 4.741 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2cc(F)cc(F)c2)[C@@H](CI)C1 382708490 VSNJDVOTAKFEIX-MAUKXSAKSA-N 457.258 4.752 50 10 JJGE ClCCc1nc2ccncc2n1-c1cc(Br)ccc1I 394287287 LGJZGDPJROEINM-UHFFFAOYSA-N 462.516 4.569 50 10 JJGE O=C(CBr)c1c(C(F)(F)F)ccc(Br)c1I 575696042 RDCKYMOYSZGKJE-UHFFFAOYSA-N 471.836 4.650 50 10 JJGE O=C1Cc2cc([C@@H](Cl)c3ccc(I)c(Br)c3)ccc2N1 721618100 YYJQNHRQIUSNJM-OAHLLOKOSA-N 462.512 4.877 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)C1 1614702768 VPALDCFXUDDOSD-PBHICJAKSA-N 453.720 4.995 50 10 JJGE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NNc2cccc(F)c2)c1 1632204004 IQTXVIDEQLBFJU-UHFFFAOYSA-N 459.930 4.617 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(OCC)c1)C(C#N)=C(N)O2 1865681037 CWGNMTSXONCSEX-OAQYLSRUSA-N 495.377 4.910 50 10 JJGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2CC(C)C 1865690761 AJNCSXYHRQJVRS-QHCPKHFHSA-N 456.546 4.998 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)c1OC 1865700908 HMKMXGGNKCJECN-HSZRJFAPSA-N 482.515 4.973 50 10 JJGE COc1cc(-c2csc(/C(C#N)=C(\O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)c(OC)cc1Cl 1872754721 GCFXNUCEFCQHPM-IGUAEOCPSA-N 495.944 4.958 50 10 JJGE COc1ccc([C@@H](Br)c2c(Br)c(C)nn2C)cc1Br 1877175004 JWEPKHMVABSZJQ-GFCCVEGCSA-N 452.972 4.746 50 10 JJGE O=C(N[C@H](CCBr)C(F)(F)F)c1csc(Br)c1Br 1918515331 MFLGXOIWIIEONQ-RXMQYKEDSA-N 473.934 4.719 50 10 JJGE O=S1(=O)CCC[C@@H]([C@H](Br)c2cc(Br)sc2Br)C1 1942228932 VSJKTBIGORLQPA-MUWHJKNJSA-N 467.042 4.534 50 10 JJGE C[C@H](NCCSSCCNC(=O)OC(C)(C)C)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 1993732772 ZUDUPZYMLLXQJS-YESZJQIVSA-N 463.710 4.564 50 10 JJGE CCc1nn(C)c(C(=O)N(Cc2ccccc2)[C@@H](C)CCBr)c1Br 2017376444 LUHFKZGUEBVLRM-ZDUSSCGKSA-N 457.210 4.561 50 10 JJGE O=[N+]([O-])c1c(CBr)nn(Cc2c(F)cccc2C(F)(F)F)c1C(F)(F)F 2079259252 UCBYXXPJFYYDCR-UHFFFAOYSA-N 450.108 4.911 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CCC2(CC1)C[C@H]2CBr 2092481345 MMAFFGDWKIMBAQ-QMMMGPOBSA-N 472.040 4.910 50 10 JJGE CC(C)[S@](=O)(=NC[C@H](CBr)C(C)(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2126848565 DYXBGGKNCMLJPN-SBKBGZGTSA-N 453.487 4.929 50 10 JJGE Cc1cc(C(=O)N[C@@H](CBr)c2cccs2)ccc1I 2142144818 QXAYWCFPVMQMKY-LBPRGKRZSA-N 450.139 4.527 50 10 JJGE C[C@@H]1C[C@H](CCl)CCN1C(=O)c1ccc(Br)cc1I 2142287836 GOGLCVGCTYCHJD-NXEZZACHSA-N 456.549 4.533 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2CCC[C@H](Cl)[C@H]2C1 2150969676 GOTUAHPICWPFBS-GVXVVHGQSA-N 468.560 4.533 50 10 JJGE CN([C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1 2156439841 YKAQHQVLVNCKBI-WOJBJXKFSA-N 452.414 4.586 50 10 JJGE C[C@@]1(CBr)CC(F)(F)CN1C(=O)c1cc(Cl)ccc1I 2159048088 ASKHYRNGSVQZCI-LBPRGKRZSA-N 478.502 4.579 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@@H](C(F)(F)CBr)C1 2197753708 FAJCGNLMXXPSMJ-MRVPVSSYSA-N 475.953 4.704 50 10 JJGE Cc1cc(C(=O)N2CCC[C@@H](CCBr)CC2)ccc1I 2207098192 URQLUFIHTQRCHT-ZDUSSCGKSA-N 450.158 4.627 50 10 JJGE Cc1cc(C(=O)N[C@H]2C[C@H](Br)CC(C)(C)C2)ccc1I 2207106317 WZIMMZRHCBUWOJ-STQMWFEESA-N 450.158 4.672 50 10 JJGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OC[C@H]1CC(F)(F)C12CCC2 2247315281 BUAJGIGUNFWZOU-IUODEOHRSA-N 459.315 4.547 50 10 JJGE CC(C)(C)OC(=O)NCC[C@H](N(CCCCI)C1CC1)C(F)(F)F 2248240170 BHKBEJIVCOQUFI-ZDUSSCGKSA-N 464.310 4.512 50 10 JJGE O=C(N[C@]1(CCl)C[C@H]2CC[C@H]1C2)c1ccc(I)c(Br)c1 2283913017 OKYCKHAQFAJZCK-ZSGNIPIJSA-N 468.560 4.581 50 10 JJGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@@H]2CCCO2)cc1 2296731403 UXNNPFRSELQLAI-QHCPKHFHSA-N 458.587 4.853 50 10 JJGE Cc1cc(Br)ccc1C(=O)N[C@H](CCBr)COCc1ccccc1 2303538388 KAHBAVPNQSRDLR-QGZVFWFLSA-N 455.190 4.858 50 10 JJGE FC(F)(F)[C@@H]1[C@H](Br)CCCN1Cc1sccc1I 2320972474 IMGQTSQHNGWWEY-XCBNKYQSSA-N 454.093 4.643 50 10 JJGE COC(=O)[C@@H](Br)C1(OCc2cc(Br)cc(Br)c2)CCC1 2362205818 JDCUUPUKEVLXRM-GFCCVEGCSA-N 470.983 4.587 50 10 JJGE CN(C(=O)c1ccc(Cl)cc1I)[C@@H](CCBr)C(F)(F)F 2365584515 PGVQLOVIWXSZJU-JTQLQIEISA-N 484.481 4.733 50 10 JJGE CC1CCC([C@H](CBr)NC(=O)c2cccc(I)c2)CC1 2379732373 OXFRNHPQCNYUGC-QOZQQMKHSA-N 450.158 4.611 50 10 JJGE COC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 33280641 LSEIHLPIOWFQJJ-BAHMTSKISA-N 499.519 4.982 50 10 JJGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N2CCOCC2)cc1F 39983482 AJYXRSFAJOKWKT-LTGZKZEYSA-N 474.536 4.623 50 10 JJGE O=C(NNc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccccc1Cl 40646416 AUDDQYNBVAORNN-UHFFFAOYSA-N 475.896 4.960 50 10 JJGE Cc1c(C(=O)NCc2cccnc2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813544 GFZHNLBVLKDRKX-JBASAIQMSA-N 452.514 4.537 50 10 JJGE CCCCCN1C(=O)/C(=N\NC(=O)COc2ccccc2Cl)c2cc(Br)ccc21 40846229 JJJSASWBJVTMMB-QQTULTPQSA-N 478.774 4.539 50 10 JJGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)NCCc2ccc(OC)c(OC)c2)cc1OC 40853628 AYPNPEJMZJZLCJ-CJLVFECKSA-N 466.578 4.937 50 10 JJGE C/C(=N\NC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1cccs1 58991689 MBKPAHMSJWSWJU-XIEYBQDHSA-N 461.616 4.747 50 10 JJGE O=C(N/N=C/c1cc(Br)c(N2CCCC2)o1)Nc1ccc(Br)cc1 59247812 VMHIOTLICJKSNK-VXLYETTFSA-N 456.138 4.560 50 10 JJGE C/C(CCc1ccc2c(c1)OCO2)=N/NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 89262797 PRYJHPPTFULTLV-QQXSKIMKSA-N 499.976 4.608 50 10 JJGE C[C@@H](CBr)CCCNC(=O)c1cc(I)ccc1Br 228290408 CZUIFVFFWDZHME-SECBINFHSA-N 488.989 4.595 50 10 JJGE COc1cc(C[C@H](Br)CBr)c(Br)c(Br)c1O 231533238 YVWOAUVYLOYLET-LURJTMIESA-N 481.804 4.627 50 10 JJGE O=C(NC[C@H]1CCCC[C@@H]1Br)c1cc(Br)cc(Br)c1 232458346 QCBTWBVNRORQGI-RNCFNFMXSA-N 454.000 4.895 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CCCC[C@@H]1CCBr 236065087 LJCPNXBEZBIQMB-LLVKDONJSA-N 456.549 4.724 50 10 JJGE CC[C@H]1[C@@H](CBr)CCN1c1ncc(C(F)(F)F)cc1I 686106304 ISMFUJHLTORGDM-KCJUWKMLSA-N 463.079 4.705 50 10 JJGE COc1ccc(-c2nc(COC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)co2)cc1 913216078 GSXMKEWLTOECGO-KGENOOAVSA-N 479.496 4.778 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)CSc2nc3ccccc3s2)cc1 1083993951 GJDWTLMPZVYTDJ-UHFFFAOYSA-N 497.623 4.615 50 10 JJGE CC(=NNC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 1084616126 NMIVFVQOXLLMIT-UHFFFAOYSA-N 473.957 4.523 50 10 JJGE C/C(=C/C(=O)NNC(=O)[C@H](C)Oc1c(C)cc(Cl)cc1C)c1ccccc1C(F)(F)F 1289990863 RHPQWONPMFNZGU-SSCKCOOKSA-N 454.876 4.994 50 10 JJGE CC(=O)C[C@@H]1OC[C@H](C[C@H]2O[C@H]2[C@@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@@H]12 1775963025 DBLUIDKSSPQNMP-JZPVPAISSA-N 456.696 4.705 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1O 1865682724 WMLGVNXICAVLEK-HSZRJFAPSA-N 450.498 4.531 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1OCC 1865689610 UGBMYQQCZDHYLX-HSZRJFAPSA-N 464.953 4.909 50 10 JJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1 1865694087 PFWNXOJCTRYKIG-NRFANRHFSA-N 465.351 4.950 50 10 JJGE Cn1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)c2ccccc21 1865698751 BWWZKNCTJOUOOF-LJQANCHMSA-N 467.426 4.799 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccccn2)C(C#N)=C(N)O3)cc1 1865699770 BXPIKZDBXIXUAP-JOCHJYFZSA-N 469.932 4.874 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C[C@H]1Br 1893137099 OQSWPIPGVJBSJH-FTJWQGMPSA-N 485.422 4.839 50 10 JJGE BrCC1(COCc2cc(I)ccc2Br)CC1 1902212631 INSAAZDROHRASN-UHFFFAOYSA-N 459.947 4.745 50 10 JJGE C[C@](CCl)(CBr)OCc1cc(I)ccc1Br 1902318625 VUKFAVAWEYQBBP-LLVKDONJSA-N 482.381 4.963 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@@H](Br)C12CCC2 1914448982 MYWWMJGSHUCODI-GFCCVEGCSA-N 451.984 4.744 50 10 JJGE C[C@H]1C[C@@H](CBr)CN(C(=O)c2csc(Br)c2Br)C1 2032953928 SPOBAHUFSGBGOR-YUMQZZPRSA-N 460.029 4.766 50 10 JJGE C[C@@H]1CN(C(=O)c2csc(Br)c2Br)C[C@@]1(C)CBr 2032955632 BZUQODHHVUPIIG-JMCQJSRRSA-N 460.029 4.766 50 10 JJGE CCC[C@@H](Br)c1cn(-c2ccc(I)c(Br)c2)nn1 2057427528 RJVOURHITMHQFV-SECBINFHSA-N 484.961 4.871 50 10 JJGE CC(C)(C)[C@H](CBr)NC(=O)c1ccc(Br)cc1I 2086148562 CICPCCYTEJUNST-NSHDSACASA-N 488.989 4.593 50 10 JJGE Clc1cc(CN2C[C@@H]3CCC[C@H](C2)C3Br)ccc1I 2142951104 XHUMZSQFXDMBOF-ODOQXGPZSA-N 454.577 4.940 50 10 JJGE CN(C(=O)c1ccc(Br)cc1Br)[C@H](CCBr)C(F)(F)F 2178516208 UAVOQGLGFDDRQX-SNVBAGLBSA-N 481.932 5.000 50 10 JJGE CC1(C)CC[C@@H](CBr)N1c1ncc(C(F)(F)F)cc1I 2205766316 CYTVZSAAULVMBN-VIFPVBQESA-N 463.079 4.847 50 10 JJGE Cc1sc(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)cc1Br 2210614841 VHYDOCRQWXYTBS-CQSZACIVSA-N 461.219 4.871 50 10 JJGE Cc1ccc(C(=O)N[C@H](CBr)c2ccsc2)cc1I 2224629585 QMJHYVPBEJDPAV-CYBMUJFWSA-N 450.139 4.527 50 10 JJGE CC[C@@H](C)[C@H](CBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277931201 WKBKYJPFMHWZRH-RNCFNFMXSA-N 456.016 4.680 50 10 JJGE CC[C@H]1[C@@H](Br)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2277933844 ZJZXBGKWLPHBRG-STQMWFEESA-N 454.000 4.529 50 10 JJGE COc1ccc(C=C(C#N)C(=O)Nc2ccccc2C(=O)O)cc1OC(=O)c1ccccc1Cl 2293763544 FTZXROVOCGIXGW-UHFFFAOYSA-N 476.872 4.812 50 10 JJGE O=C(N[C@H](CCCl)COCc1ccccc1)c1ccc(I)c(Cl)c1 2303706770 IUMIORIWKFBTAK-OAHLLOKOSA-N 478.157 4.889 50 10 JJGE CC(C)(CI)CN1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 2306819690 XBKMAUOJYOKJMR-MRXNPFEDSA-N 450.405 4.559 50 10 JJGE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)c1 2314534032 WKNUBCJNHXCYQZ-UHFFFAOYSA-N 450.498 4.958 50 10 JJGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc5c(c4)OCCO5)cs3)cc2C1=O 2331330788 HFRWBGZXFMBIPB-CQSZACIVSA-N 487.537 4.926 50 10 JJGE COc1ccccc1/C(C#N)=C\c1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 31900701 YPVKTERGUPDHJM-JZJYNLBNSA-N 466.493 4.741 50 10 JJGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)NCc3ccco3)N(c3ccccc3)C2=O)cc1Cl 33558745 LEERPPPFOUYQOH-IQQNDYETSA-N 477.973 4.984 50 10 JJGE COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3C)cc2)cc1 33930026 OKHHCCFIMHYBLV-RGEXLXHISA-N 457.442 4.677 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OCC)cc1 38650484 LQKUGIICNALIOG-VWLOTQADSA-N 456.498 4.921 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)c(OC)c1 38656806 DKPJEZVAAIUYIV-VWLOTQADSA-N 492.915 4.560 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1OC 38658504 IRXWMPVVBSQTPN-SANMLTNESA-N 486.524 4.523 50 10 JJGE CCCCCCOc1ccc(/C=N/NC(=O)c2cc(-c3cccs3)nc(O)n2)cc1OC 169923790 BOIFXHAHJQBRLQ-BUVRLJJBSA-N 454.552 4.642 50 10 JJGE CC(=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 254407461 RCADDTPRAKTGSX-UHFFFAOYSA-N 486.557 4.783 50 10 JJGE Cc1ccc(C=NNC(=O)c2ccc(Oc3ccc(C(=O)NN=Cc4ccc(C)o4)cc3)cc2)o1 254625494 ZHVCTKOSIQRIOR-UHFFFAOYSA-N 470.485 4.810 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccccc2Br)C1 382692997 UUIOJVBBLMXDFL-YPMHNXCESA-N 466.157 4.835 50 10 JJGE C[C@]1(CI)CC[C@@H](c2c(Br)cncc2Br)O1 394511562 BGLMGAJVUUQLIX-GXSJLCMTSA-N 460.935 4.652 50 10 JJGE Nc1ccc(Br)cc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CBr 394700062 XUYPINFBLIYBIJ-RHSMWYFYSA-N 468.189 4.778 50 10 JJGE O=C(CBr)c1c(C(F)F)ccc(Br)c1I 575683428 ARIOJVMAGDLKTB-UHFFFAOYSA-N 453.846 4.569 50 10 JJGE O=C(CBr)c1c(Br)cc(I)cc1C(F)(F)F 575696805 XBUDCVBCOMGPMN-UHFFFAOYSA-N 471.836 4.650 50 10 JJGE COC[C@H](CC(CBr)(CBr)c1cccc(Br)c1)OC 694717256 ZJSRQMHOWJDSET-ZDUSSCGKSA-N 459.016 4.528 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)c(-c2ccccc2)n1 761396172 CAJYPBMCXQWFNY-WSDLNYQXSA-N 490.519 4.709 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)NCc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1Cl 1084304135 OIDKLHGSQFDZIP-UHFFFAOYSA-N 477.779 4.821 50 10 JJGE Cc1c(C(=O)NCc2ccccn2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747123 FCGJWBJTEPMELQ-UHFFFAOYSA-N 471.344 4.690 50 10 JJGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1cccc(Cl)c1 1865694150 UUCIAVMEVAOLJF-NRFANRHFSA-N 450.926 4.519 50 10 JJGE Cn1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)c2ccccc21 1865699550 WQLPPQZHIGNNSK-IBGZPJMESA-N 467.426 4.799 50 10 JJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1 1865708812 GOFDURKDZSCJCC-DEOSSOPVSA-N 476.536 4.912 50 10 JJGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)CCCOCc1ccccc1 1915299615 GPWLGPOQNATFCH-JOCHJYFZSA-N 468.457 4.845 50 10 JJGE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NCCSSCCNC(=O)OC(C)(C)C 1985350752 VNJYQQDBCGQJID-DLBZAZTESA-N 463.710 4.518 50 10 JJGE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C[C@@H](Br)C(F)(F)F 1999445326 KUWQHBNLOOXVNK-BRWVUGGUSA-N 451.327 4.824 50 10 JJGE CCN(C[C@@](C)(CI)OCC(C)(C)OC(C)C)C(=O)OC(C)(C)C 2015768728 WXCZUCGRDHXERR-GOSISDBHSA-N 457.393 4.657 50 10 JJGE CCN(C[C@](C)(CI)OCc1ccc(F)cc1)C(=O)OC(C)(C)C 2024643908 OERGXGCUXOASGA-SFHVURJKSA-N 451.320 4.793 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2CCC[C@]2(CBr)C1 2103173956 XVANOAYZWCEDOL-OQPBUACISA-N 472.040 4.910 50 10 JJGE BrCc1cc(Br)c(OC[C@@H]2C[C@H]3C[C@H]3CO2)c(Br)c1 2122884173 VMKDGUHQMWEKDA-VWYCJHECSA-N 454.984 4.910 50 10 JJGE Cc1nn(C)c(Br)c1COc1cccc(Br)c1CBr 2129300713 SMBPCRSSPRKXEQ-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE O=C(N[C@H]1CCCC[C@@H]1CCCl)c1cc(I)ccc1Br 2146737481 OPBQMAMVETYHSH-YGRLFVJLSA-N 470.576 4.971 50 10 JJGE CN(C(=O)c1cc(Cl)ccc1I)C1CCC(CBr)CC1 2171111527 OPIZHFWVXYIZLV-UHFFFAOYSA-N 470.576 4.970 50 10 JJGE C[C@]1(CC(CBr)(CBr)c2ccc(Br)cc2)COCCO1 2174170282 BXSRQYAJRANNGC-AWEZNQCLSA-N 471.027 4.672 50 10 JJGE BrC[C@@H]1CN(Cc2cc(Br)ccc2Br)CC2(CCC2)O1 2175151888 IHSREOBZVWEPLF-CYBMUJFWSA-N 468.027 4.730 50 10 JJGE O=C(NC[C@H]1CCCC[C@@H](Cl)C1)c1ccc(Br)cc1I 2207269606 UOJRXCUPXYDZOH-CMPLNLGQSA-N 470.576 4.971 50 10 JJGE C[C@@H](Cl)c1nc2cc(I)ccc2n1Cc1conc1Br 2239107663 BSEWOWOXZFTAAD-SSDOTTSWSA-N 466.504 4.740 50 10 JJGE CC[C@H](C)[C@@H](CI)NC(=O)c1cc(F)c(Br)cc1Cl 2267804649 YFCRMJFNSQNMIS-JVXZTZIISA-N 462.528 4.821 50 10 JJGE C=CC[C@]1(CBr)CCN(C(=O)c2ccc(I)c(Cl)c2)C1 2287748484 RRLFBVSZZIVKBM-OAHLLOKOSA-N 468.560 4.748 50 10 JJGE COC[C@]12C[C@]([C@@H](Br)Cc3cc(Br)cc(Br)c3)(CO1)C2 2295331141 FNYVWZZZZAEUMC-KKUMJFAQSA-N 469.011 4.713 50 10 JJGE CC1(C)[C@H](Br)CCN1Cc1ccc(I)c(Br)c1 2306219519 NDIZVDKNEHIJAE-GFCCVEGCSA-N 472.990 4.802 50 10 JJGE O=C(c1cc(Br)sc1Br)N1[C@H]2CC[C@@H]1[C@H](CBr)C2 2308530886 KRMAULKJGUDAPQ-ACLDMZEESA-N 458.013 4.661 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C(C)C)cc1 2314737523 RPCAURWOOHPKSN-UHFFFAOYSA-N 474.513 4.619 50 10 JJGE COCc1ccc(CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)s1 2319547346 AVJVWKBEUJOJBI-GOSISDBHSA-N 481.396 4.616 50 10 JJGE O=C(Nc1cc(F)c(CBr)cc1F)c1ccccc1I 2368910373 OBNIWDDCFDKQJX-UHFFFAOYSA-N 452.036 4.717 50 10 JJGE O=C(COc1ccc2ccccc2c1Br)N/N=C/c1ccc(Br)cc1 12575666 HEIYGSDMZLKBAM-SSDVNMTOSA-N 462.141 4.894 50 10 JJGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc([C@H](C)CC)cc1 14033091 DQGMGJHWGALYSI-LJQANCHMSA-N 485.650 4.874 50 10 JJGE CC(C)Oc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 14658820 HCXGJNZYZCGOBK-LLVKDONJSA-N 490.181 4.772 50 10 JJGE N#C/C(=C/c1ccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)cc1)c1ccc(Cl)cc1 31901330 KOYYABYYCQRCRE-CYVLTUHYSA-N 456.885 4.996 50 10 JJGE N#C/C(=C/c1cccc(OC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1)c1ccccc1 31902589 MKJSHKYTWKLODV-QJOMJCCJSA-N 458.539 4.754 50 10 JJGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 38654972 TWDRMZGMPFCMNT-IVCQMTBJSA-N 485.496 4.748 50 10 JJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)c1 38659894 KQQCQOQRBLDCTD-HHHXNRCGSA-N 486.524 4.523 50 10 JJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)c1 38659902 RPQRYXPHGGJMAP-MHZLTWQESA-N 486.524 4.523 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCc1ccccc1 40147174 VLWJCVUEAXMQJG-SANMLTNESA-N 464.525 4.987 50 10 JJGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCc3ccco3)c(Oc3ccc(C(C)(C)C)cc3)nc12 102847572 MHYYZVDXXBJPDX-CYVLTUHYSA-N 482.540 4.909 50 10 JJGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 217211042 DHFTVYFQFVHULD-VLGSPTGOSA-N 471.469 4.510 50 10 JJGE CCC(CC)[C@@H](Cl)CNC(=O)c1cc(Br)ccc1I 230648963 OIEGGYTUNJEWQZ-LBPRGKRZSA-N 458.565 4.827 50 10 JJGE Cc1ccc(OCC(=O)NN=Cc2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)cc1 254822130 ZGDJPCTVPNBSKV-UHFFFAOYSA-N 468.516 4.786 50 10 JJGE O=C(NN=C1c2ccccc2C[C@H]1NC(=O)c1cccc(Cl)c1)Nc1ccccc1Cl 1088692040 UDPDQIYQYHVNAE-HXUWFJFHSA-N 453.329 4.874 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 1171837318 FCKBGJLKDZKQFJ-KRWDZBQOSA-N 475.721 4.804 50 10 JJGE CC(C)NC[C@H](O)COc1ccc(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1 1848434208 MQLCRNVEKRORAS-SANMLTNESA-N 491.748 4.543 50 10 JJGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(Cl)c1 1858683442 PSNOUHLKKKAXCV-UHFFFAOYSA-N 477.260 4.925 50 10 JJGE CCCc1nn(C)c2c1[C@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865703043 LKNIGMWJXNNJBB-XMMPIXPASA-N 458.562 4.877 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705930 JOVAQKAOEWKPHV-INIZCTEOSA-N 493.804 4.869 50 10 JJGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867057842 JMZMWWCDYBPZIY-NXCFDTQHSA-N 499.592 4.655 50 10 JJGE COc1cc(Br)c([C@H](Br)[C@@H]2C[C@@H]2Br)c(OC)c1OC 1887726078 WMSMUXRYSBMWJM-PTZCXBDSSA-N 458.972 4.694 50 10 JJGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)CBr)sc1Br 1914352801 JURWMCVKWDQWFT-LBPRGKRZSA-N 467.248 4.793 50 10 JJGE CN(C[C@H](Cl)COCc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Br)c1 1916333198 PWUFMJKRHMCTDM-AWEZNQCLSA-N 467.212 4.547 50 10 JJGE Cc1c(Br)cccc1C(=O)N(C)C[C@H](Br)COCc1ccccc1 1916384557 CFNLJOCHYGHIQX-INIZCTEOSA-N 455.190 4.810 50 10 JJGE Cc1sc(Br)c([C@H](Br)c2cnn(C)c2I)c1C 2024028436 LWGFLOOQIZVIEG-SECBINFHSA-N 490.002 4.950 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1[C@H]2CC[C@H]1[C@@H](CBr)C2 2039489903 GKXPFEQBZQZQGO-FJXKBIBVSA-N 458.013 4.661 50 10 JJGE CC(C)c1cncc(-n2nc(CBr)c(I)c2C(F)(F)F)c1 2078933290 VUFCMKNQRUQVGO-UHFFFAOYSA-N 474.062 4.909 50 10 JJGE CN(C[C@@H]1CCC[C@@H]1Br)C(=O)c1c(Br)cccc1Br 2094094897 HDYBGIWHYRDEIR-UWVGGRQHSA-N 454.000 4.847 50 10 JJGE CC1(C)C[C@@H](CBr)N(C(=O)c2ccc(Br)cc2Br)C1 2094748558 COBURVJHEWOADO-JTQLQIEISA-N 454.000 4.847 50 10 JJGE C[C@@H]1C[C@H](Br)CCN(C(=O)c2c(Br)cccc2Br)C1 2103292263 NKVPPFBHVKCEDD-NXEZZACHSA-N 454.000 4.847 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NCC2(CBr)CCCCCC2)C1 2106783224 YDAKQCWEWNHICB-QMTYFTJSSA-N 451.471 4.735 50 10 JJGE ClC[C@@]12CCC[C@H]1N(c1ncc(I)cc1Br)CCC2 2133375326 QBCIVXFGIROXNK-OCCSQVGLSA-N 455.565 4.827 50 10 JJGE CN(C(=O)c1cccc(F)c1I)[C@H]1CCCCC[C@@H]1Br 2172538472 DSITYMATRIAOEN-AAEUAGOBSA-N 454.121 4.599 50 10 JJGE CCN(CC)[C@@H](C)CO[C@](C)(CI)c1ccccc1Br 2175834630 KQTWWVVJKRJPTF-XJKSGUPXSA-N 454.190 4.846 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNc1ccc(N)c2cc(Br)cnc12 2181743641 RUFMCYDKYLUYFO-UHFFFAOYSA-N 473.462 4.898 50 10 JJGE CC[C@@H](C)[C@@H](CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2201194946 GZXDIBPJNJMAIM-RDDDGLTNSA-N 468.038 4.844 50 10 JJGE COc1cc(F)c([C@@H](Br)c2c(Br)c(C)nn2C)cc1Br 2202903548 GGNKYLAVEAYMJW-GFCCVEGCSA-N 470.962 4.886 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1cc(Br)ccc1Br 2204563850 OREUQGRGNRGTNF-UVJIQFMESA-N 466.011 4.894 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@H](Br)Cc1ccc(Br)cc1Cl 2209367516 ODLSRJORPKPHCO-GFCCVEGCSA-N 457.549 4.705 50 10 JJGE CCN(C(=O)c1ccc(I)c(Br)c1)[C@H]1CCC[C@@H]1Cl 2224416418 WTNZKGMBMXABFQ-AAEUAGOBSA-N 456.549 4.676 50 10 JJGE Cc1ccc(I)c(C(=O)N2C[C@](C)(CBr)CC2(C)C)c1 2240924074 SPDACBYXIRVQJE-INIZCTEOSA-N 450.158 4.625 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@]2(CC[C@@](C)(CI)O2)[C@@H]1C(F)(F)F 2303934663 HFAOQPHGMNQIIX-UGFHNGPFSA-N 463.278 4.691 50 10 JJGE CCOc1cc(OCC)c(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Br 2313556294 UVOLBGTYSJRSPE-UHFFFAOYSA-N 482.378 4.994 50 10 JJGE C=CCn1c(SCC(=O)NN=Cc2ccc(OC)cc2)nc2scc(-c3ccccc3)c2c1=O 2320486372 CYFYFLZFQIAMNX-UHFFFAOYSA-N 490.610 4.562 50 10 JJGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4cccs4)cs3)CC2=O)cc1 2331326559 IHUXULLBQQDPFW-OAHLLOKOSA-N 465.556 4.894 50 10 JJGE Cl[C@H]1C[C@H](CNCc2ccc(I)c(Br)c2)C12CCC2 2349857883 DABKKDNKZOVKHH-RISCZKNCSA-N 454.577 4.941 50 10 JJGE Cc1ccc(CBr)c(N(C)Cc2c(Br)c(Br)nn2C)c1 2364335453 GGTVLHNOIBHOLI-UHFFFAOYSA-N 466.015 4.785 50 10 JJGE CN(C[C@H]1C[C@H](Br)C1)[C@@](C)(C(=O)O)c1cc(Br)c(Br)s1 2379117557 MZIKGLKYFMHVGQ-OTPXZMOZSA-N 490.055 4.678 50 10 JJGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c1 10283439 YVGBBSUFFOEIMV-UHFFFAOYSA-N 498.432 4.523 50 10 JJGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(C(C)(C)C)c(Br)c1 12493782 BNQRGWZTAHTRBB-UHFFFAOYSA-N 498.215 4.658 50 10 JJGE COc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1CN1CCc2cc(OC)c(OC)cc2[C@@H]1C 13133370 IRUJTAWPTOLDKN-PCHPKZPRSA-N 491.563 4.735 50 10 JJGE N#C/C(=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 33930110 WSZFPKISOIFNRC-PTNGSMBKSA-N 492.831 4.921 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1OC 38658587 MBEKIJFVYJXEHD-MHZLTWQESA-N 486.524 4.523 50 10 JJGE O=C(COc1ccc(Br)cc1)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 40846310 NSHBVRZMOFTTKM-QYQHSDTDSA-N 498.764 4.549 50 10 JJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OC)c(Br)c2)c(OC)c1 40853310 ZTKPXSLJFRMWEA-NRHDHWSESA-N 486.318 4.555 50 10 JJGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1 59087078 MOCRQHLOKIBTKB-PTGBLXJZSA-N 470.573 4.875 50 10 JJGE COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 217176992 FBJUGGXLZWWSBX-ARFXMCQGSA-N 480.612 4.687 50 10 JJGE O=C(N[C@@H]1CCCC[C@@H]1CBr)c1ccc(I)c(Cl)c1 231612730 VRAJGUTZJVRMMI-ZWNOBZJWSA-N 456.549 4.628 50 10 JJGE O=C(N[C@H]1CCCCC[C@H]1Br)c1cc(Cl)ccc1I 236066994 SNWTWGGBIOVGQR-YPMHNXCESA-N 456.549 4.771 50 10 JJGE O=S(=O)(Nc1ccc(I)cc1Br)c1ccc(CCl)cc1 383193911 AYISTWYUEMPUOT-UHFFFAOYSA-N 486.556 4.593 50 10 JJGE C[C@@H](Cn1c(CCCl)nc2cc(I)ccc21)N(C)Cc1ccccc1 390507238 XHKIIQGGIBNUPH-HNNXBMFYSA-N 467.782 4.943 50 10 JJGE COCc1csc([C@@H](Br)c2cc(I)cc3c2OCC3)c1 690016388 VYYKWFSWFUDBRM-AWEZNQCLSA-N 465.150 4.918 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H]2C[C@@H](Br)C[C@H]1C2 709806766 LUGGLNRHKZZXQD-XLPZGREQSA-N 458.013 4.661 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CCS[C@@H](CCBr)C1 720041646 QNLWNFOFSPVWNX-LBPRGKRZSA-N 472.040 4.554 50 10 JJGE Cc1c(C(=O)COC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)oc2ccccc12 761417285 GUPZTVYRHXQWRX-ZHZULCJRSA-N 464.481 4.851 50 10 JJGE C[C@@H]1CCCN(Cc2ccccc2CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)C1 918583367 FRVFMUSDLQCYPF-MFSPXNBESA-N 492.627 4.919 50 10 JJGE CN(Cc1cc(Br)cs1)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 918586761 HADGEGBBKUJMRZ-YVLHZVERSA-N 480.391 4.853 50 10 JJGE COc1cccc(C(=O)NN=Cc2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)c1 1084016766 ARORHMQXFUUYAK-UHFFFAOYSA-N 454.489 4.721 50 10 JJGE O=C(NN=Cc1cc(Br)cc(Br)c1O)c1cc2ccccc2cc1O 1084091413 HLZSSAFKSLOHLH-UHFFFAOYSA-N 464.113 4.540 50 10 JJGE COc1ccc(N(CC(=O)NN=C(C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 1084425751 SZGHRWPCBBAVBU-UHFFFAOYSA-N 493.629 4.728 50 10 JJGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc(CCCc3ccccc3)c2)cc1 1199604670 GKSFWPZWEZCSSG-FQEVSTJZSA-N 459.546 4.685 50 10 JJGE CC(=O)C1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)CC1 1637551300 AYZKGBUIKBPIIP-MOSHPQCFSA-N 454.368 4.591 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865691959 GFWLCGMTPHMKAK-QFIPXVFZSA-N 482.943 4.912 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1 1865693190 IAVRZMYSGRNIAN-LJQANCHMSA-N 454.452 4.876 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 1865713331 WRBYWZAQWLQBFP-LJQANCHMSA-N 480.322 4.714 50 10 JJGE COc1ccc(-c2csc(CCNC(=O)/C(C#N)=C/c3ccc(Br)cc3)n2)cc1 1866129045 ZMEBKFPZEABGCV-SFQUDFHCSA-N 468.376 4.847 50 10 JJGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCc3cccc(OC)c3)CC2)n1 1868277537 AASWWUUJQDLBLX-UHFFFAOYSA-N 474.634 4.729 50 10 JJGE O=C(c1scc(Br)c1Br)N1[C@H]2CC[C@H]1[C@H](CBr)C2 2039480320 MYMMFSWPASUKMG-ZKWXMUAHSA-N 458.013 4.661 50 10 JJGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1scc(Br)c1Br 2042542313 IXHAPOAYXSSSBP-XKBZYTNZSA-N 458.013 4.565 50 10 JJGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Br)c1c(Cl)sc(Br)c1Cl 2054228761 ZLAXYJMGNGEUPT-UELCQGJWSA-N 455.020 4.544 50 10 JJGE O=C(N[C@H]1CCCC[C@@H]1CBr)c1cccc(Br)c1Br 2092339394 DFDWUNKFFHEELB-SKDRFNHKSA-N 454.000 4.895 50 10 JJGE CCN1CCC[C@H]([C@H](Br)c2csc(Br)c2Br)S1(=O)=O 2093944456 KJFLFNRIBMVERZ-RKDXNWHRSA-N 496.084 4.523 50 10 JJGE CN(C[C@H]1CCC[C@H]1Br)C(=O)c1c(Br)cccc1Br 2094094896 HDYBGIWHYRDEIR-NXEZZACHSA-N 454.000 4.847 50 10 JJGE CC(C)(C)OC(=O)N1CC(C[S@@](C)(=O)=NCC2(CBr)CCCCCC2)C1 2109490517 FNGINUXPCNJORU-AREMUKBSSA-N 451.471 4.687 50 10 JJGE CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2123250799 DJMPZUHPEHLMNA-UHFFFAOYSA-N 480.255 4.641 50 10 JJGE O=S(=O)(c1cc(CBr)c(Cl)cc1Cl)N(Cc1ccccc1)[C@@H]1CCOC1 2123252310 PBRBWLSAURRYTP-OAHLLOKOSA-N 479.223 4.868 50 10 JJGE COc1ccc(Br)cc1[C@@H](Br)c1c(C)nn(C)c1Br 2129265181 JGLXBNDLCVMEHW-GFCCVEGCSA-N 452.972 4.746 50 10 JJGE CC1(C)CC[C@@H](CBr)N1C(=O)c1ccc(Br)cc1Br 2140847403 BBPBLUPXJUQVET-JTQLQIEISA-N 454.000 4.990 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC2(CCC2)C[C@H]1CBr 2151486964 DLONJANDBWCLDV-JTQLQIEISA-N 466.011 4.991 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@@H]2CCC[C@@]2(CBr)C1 2159407678 GFFKZGYKXSHIPE-ZUZCIYMTSA-N 466.011 4.849 50 10 JJGE CC[C@H](Br)[C@@H]1CCCCN1C(=O)c1cccc(F)c1I 2170609993 OXIPJXUZGKMXRN-AAEUAGOBSA-N 454.121 4.599 50 10 JJGE COc1cc(S(=O)(=O)N(Cc2ccccc2)C(C)(C)C)cc(CBr)c1OC 2179830484 LVDRJRCJSRATNU-UHFFFAOYSA-N 456.402 4.588 50 10 JJGE Cc1cc(CBr)cc(S(=O)(=O)N(C)[C@@H]2CC[C@H]2OCc2ccccc2)c1C 2179854873 ZHMXDSGSIJYFAZ-WOJBJXKFSA-N 452.414 4.567 50 10 JJGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)CC2CCCC2)cc1CBr 2179859125 YUUKLCXKFPMBAS-UHFFFAOYSA-N 452.414 4.971 50 10 JJGE CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cc(CBr)c2Cl)C1 2179864088 WEYLSGMPRIAPLA-QGZVFWFLSA-N 492.266 4.783 50 10 JJGE C[C@@H]1CCCN(CCCCCI)[C@@H]1CCCNC(=O)OC(C)(C)C 2214697437 PYRYYEGXACWONZ-IAGOWNOFSA-N 452.421 4.997 50 10 JJGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(Br)c1 2217392770 DCXWVFCMULZJGO-CYBMUJFWSA-N 479.209 4.953 50 10 JJGE I[C@@H]1CCCCCC[C@H]1OCCOCCOCCOCc1ccccc1 2227775517 ATDXIMIMCLYOQA-NHCUHLMSSA-N 476.395 4.779 50 10 JJGE Cc1ccc(C(=O)N[C@@H](CBr)CC2CCCC2)cc1I 2232824337 XTBNPKBYYMYWKX-CQSZACIVSA-N 450.158 4.673 50 10 JJGE CC(C)CO[C@@H]1[C@@H](Br)C[C@H]1Oc1cc(I)ccc1Cl 2272638802 JAYPKZCJFLZWDJ-ZLKJLUDKSA-N 459.549 4.900 50 10 JJGE CC[C@@H](C)NC(=O)c1cc2ccc(OC(=O)C(C#N)=Cc3ccc(C(C)C)cc3)cc2oc1=O 2314750955 GTSSUDSYFGNWGR-QGZVFWFLSA-N 458.514 4.957 50 10 JJGE CC(C)(C)c1ccccc1OCC(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1 2314754846 FJORVUNXEORHET-UHFFFAOYSA-N 458.514 4.785 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)c(OC)c1 2331386804 PWZOCYSAMCTPMN-UHFFFAOYSA-N 468.447 4.902 50 10 JJGE O=C(NCC(F)(F)C(F)(F)CBr)c1scc(Br)c1Br 2336538740 LAFOJCGJXPGRES-UHFFFAOYSA-N 491.924 4.668 50 10 JJGE Cn1nc(Br)c(Br)c1[C@H](Br)c1ccc(F)c(F)c1F 2338720380 QKWODWXPPLFESN-ZCFIWIBFSA-N 462.889 4.847 50 10 JJGE CCN[C@H](c1c(C)cc(Br)c(OC)c1Br)[C@@H]1C[C@H]1Br 2339639271 KJJVBANZBHIYDL-KKFJDGPESA-N 456.016 4.963 50 10 JJGE CC1(C)CC(CBr)(CN=[S@@](C)(=O)CC2(C)CN(C(=O)OC(C)(C)C)C2)C1 2345008433 OMNVZFLCCBMCBY-SANMLTNESA-N 451.471 4.543 50 10 JJGE Cn1cnc(Br)c1[C@@H](Br)c1cc(Br)cc2c1OCCC2 2362495395 WSISKAWJCWKIQV-NSHDSACASA-N 464.983 4.754 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@H]2CC(Br)C[C@@H](C2)C1 2364157598 KRSHSVMLXCPSLB-NXEZZACHSA-N 466.011 4.847 50 10 JJGE C/C(=N\NC(=O)c1ccn(Cc2cccc(Br)c2)n1)c1ccc(Br)cc1 12363950 MKOFVXZAIVOZCL-LPYMAVHISA-N 476.172 4.610 50 10 JJGE COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)ccc1OC(C)=O 12491787 XCDWOVVNSORYGD-STBIYBPSSA-N 487.556 4.934 50 10 JJGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(C)cc1 14648647 XKZSIMPGRLILCW-UHFFFAOYSA-N 492.439 4.666 50 10 JJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCC)c(OC)c2)c(OCC)c1 33378276 DZFBYQBSEADUID-ODNDISFYSA-N 465.502 4.581 50 10 JJGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813009 WKMQYPSMDRLLDP-BJADGWIFSA-N 472.501 4.558 50 10 JJGE CCn1c(=O)oc2cc([C@@H](Br)c3ccccc3I)ccc21 51363808 VOWHNONPHSTVAK-OAHLLOKOSA-N 458.093 4.703 50 10 JJGE COc1ccc([C@@H](C(=O)NC2CCCCC2)N(CCc2c[nH]c3ccccc23)C(=O)CCl)cc1 97914328 FVEPVGJOQZOFQZ-SANMLTNESA-N 482.024 4.977 50 10 JJGE CC(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 206249666 CCINHVXKEZTKRE-AQTBWJFISA-N 452.561 4.613 50 10 JJGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1OC 206684141 GBVWKYQAZZDTAY-ZHZPIXNFSA-N 486.524 4.919 50 10 JJGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 217228726 GJTSLIPWAGUXSE-LUAWRHEFSA-N 482.665 4.619 50 10 JJGE O=C(NCC1CCC(Br)CC1)c1cc(Cl)ccc1I 227789172 GVUJLTCFGWPQOZ-UHFFFAOYSA-N 456.549 4.628 50 10 JJGE O=S(=O)(Nc1ccc(Cl)cc1I)c1ccc(CBr)cc1 232224553 FIKNRNZFQIUKTJ-UHFFFAOYSA-N 486.556 4.640 50 10 JJGE C/C(=N/NC(=O)[C@H](Cc1ccccc1)C(=O)N/N=C(\C)c1ccc(C)cc1)c1ccc(C)cc1 250988164 VIZVSAZJMNYIHY-NTXKTMOFSA-N 454.574 4.543 50 10 JJGE COc1ccc(C(C)=NNC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc1OC 254394666 JEACNMVLADDHPJ-UHFFFAOYSA-N 488.660 4.789 50 10 JJGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccc(F)cc3)nnc2-c2ccccc2)cc1 254745740 WZBZWUQPSWGOGL-UHFFFAOYSA-N 475.549 4.715 50 10 JJGE Cn1ncc([C@@H](Br)c2cc(Br)c(Cl)s2)c1I 379145221 CMNJAWUMDSRNHY-SSDOTTSWSA-N 496.393 4.986 50 10 JJGE CN(C)c1ccc(C=NNC(=O)c2ccc(OCc3ccc(Br)cc3)cc2)cc1 1081086709 VOZHPSPXCKYUSB-UHFFFAOYSA-N 452.352 4.858 50 10 JJGE Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 1084101095 PCFPSDSUBGSRKK-UHFFFAOYSA-N 456.329 4.970 50 10 JJGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2c[nH]c3ccccc23)cc1 1865700082 KSMFCYIXSVFCGK-GOSISDBHSA-N 451.408 4.599 50 10 JJGE Brc1ccc(I)cc1CO[C@@H]1CCC[C@H]1Br 1902312187 CDXDRSJHFKWLRB-VXGBXAGGSA-N 459.947 4.886 50 10 JJGE O=C(NCCNC(=O)[C@@H](Br)C1CCCC1)OCC1c2ccccc2-c2ccccc21 1953851151 KYAGSLLXHFZYJW-QFIPXVFZSA-N 471.395 4.595 50 10 JJGE O=C(c1cc(Br)sc1Br)N1[C@H]2CC[C@H]1[C@@H](CBr)C2 2039490374 KRMAULKJGUDAPQ-FJXKBIBVSA-N 458.013 4.661 50 10 JJGE O=C(c1scc(Br)c1Br)N1CCC[C@](F)(CBr)C1 2039789858 TWPVTWFNKPQRQB-NSHDSACASA-N 463.992 4.612 50 10 JJGE C[C@H](NC(=O)c1cc(Br)sc1Br)[C@@H]1CCC[C@@H]1Br 2048891016 KMHYRDANFIGTIH-ZKWXMUAHSA-N 460.029 4.955 50 10 JJGE O=C(N[C@@H]1CC[C@H]2C[C@]21CBr)c1csc(Br)c1Br 2068355074 OHUIFKXMNGZIBF-ZQWFHOFHSA-N 458.013 4.567 50 10 JJGE O=C(N[C@@H]1CCC[C@H]1CCBr)c1cc(Cl)ccc1I 2090571517 IUILEIHGJWVRRD-TVQRCGJNSA-N 456.549 4.628 50 10 JJGE CC1(C)COc2ccc([C@H](Br)c3cc(I)sn3)cc21 2120031290 IADMYWJTHPXUBA-ZDUSSCGKSA-N 450.139 4.902 50 10 JJGE CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2123250610 CKDBQXSOKWQEMX-UHFFFAOYSA-N 480.255 4.641 50 10 JJGE CC1CC(CBr)(CNC(=O)c2cccc(Br)c2Br)C1 2128724141 GPYNDCSNGQWLJR-UHFFFAOYSA-N 454.000 4.753 50 10 JJGE Cc1nn(C)c(Br)c1COc1c(Br)cccc1CBr 2129298521 DPSBVGBMJLCPQM-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE Cc1c(Br)ccc([C@@H](Br)C2(S(C)(=O)=O)CCC2)c1Br 2138871144 MOSUGMFBKQJUQV-GFCCVEGCSA-N 475.040 4.923 50 10 JJGE C[C@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1ccc(Br)c(CCl)c1 2197750963 AYXNXXZLHUFLND-HXUWFJFHSA-N 472.832 4.948 50 10 JJGE Cc1cc(C(=O)NC[C@H]2CCCC[C@H](Br)C2)ccc1I 2207108083 UXHIGTBLORWJAA-JSGCOSHPSA-N 450.158 4.673 50 10 JJGE CCc1cc(Br)ccc1C[C@@H](Br)CN1C(=O)c2ccccc2C1=O 2209908188 GXIXLXPWVFWSGP-OAHLLOKOSA-N 451.158 4.614 50 10 JJGE Cc1ccc(I)c(C(=O)N(C)[C@@H]2CCCCC[C@H]2Br)c1 2240925432 YGHXQQDCNGWHRM-UKRRQHHQSA-N 450.158 4.768 50 10 JJGE Cc1ccc(C(O)(C(=O)NN(C(=O)C=Cc2ccco2)c2ccccc2)c2ccc(C)cc2)cc1 2297193186 DUWDFWUDWXEHFQ-UHFFFAOYSA-N 466.537 4.910 50 10 JJGE O=C(c1csc(Br)c1Br)N1[C@H]2CC[C@@H]1[C@@H](CBr)C2 2308531234 NRHKHOGVYVHRTG-BKPPORCPSA-N 458.013 4.661 50 10 JJGE CCCO[C@@H]1[C@@H](Br)C[C@@H]1Oc1cc(Cl)c(C)cc1I 2336557294 WTVCJBNMSATQOO-QCZZGDTMSA-N 459.549 4.963 50 10 JJGE CC1(C)[C@@H](Br)CC[C@H]1NC(=O)c1ccc(Cl)cc1I 2340060551 DJWICRBSAFDEFA-NWDGAFQWSA-N 456.549 4.627 50 10 JJGE C[C@H](NC(=O)c1ccc(Cl)cc1I)[C@@H]1CCC[C@@H]1Br 2340069292 XKCKCFOTLRAQHU-PEXQALLHSA-N 456.549 4.627 50 10 JJGE CCN(C[C@](C)(CI)OCc1cc(Cl)cnc1OC)C(=O)OC(C)(C)C 2340116039 XVKPPOAYNAZHDH-SFHVURJKSA-N 498.789 4.711 50 10 JJGE Clc1ccc(CN2CCC3(CC2)C[C@H]3CBr)c(I)c1 2341060034 QSXCOLKVJXFZMK-LBPRGKRZSA-N 454.577 4.942 50 10 JJGE CC[C@]1(C)[C@H](Br)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2361897790 VYDIWADEYAHTOU-UKRRQHHQSA-N 468.027 4.919 50 10 JJGE Cc1ccc(NCc2nnc(S[C@H](C)C(=O)NN=Cc3ccc(F)cc3)n2-c2ccccc2)cc1 8576027 KFNVAFXIQUTRGM-LJQANCHMSA-N 488.592 4.958 50 10 JJGE Cc1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1C 13992854 YQEHUNAGGYQWFO-UHFFFAOYSA-N 473.573 4.693 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1OC 38659441 ZHSYOSZWVMGCKZ-VWLOTQADSA-N 456.498 4.840 50 10 JJGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2)cc1Cl 38688103 URPYMQUYMPQBSQ-JOCHJYFZSA-N 450.853 4.925 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1cccc(Cl)c1 40870067 POUCSWGZTONACZ-UDWIEESQSA-N 476.916 4.556 50 10 JJGE C/C(=N/NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccc(OCC(N)=O)cc1 96438877 PUCMPAXOWZVHQD-UHBFCERESA-N 472.932 4.573 50 10 JJGE CCCCN(C(=O)CCl)[C@@H](C(=O)NC1CCCCC1)c1ccc(OCCC)c(OC)c1 97914605 SLGFVJYPUOKNOI-HSZRJFAPSA-N 453.023 4.842 50 10 JJGE CCOc1ccc(CCN/C=C(/C#N)C(=O)N2CCC(Cc3ccccc3)CC2)cc1OCC 216885394 DYRGBMKPTQOZRX-DAFNUICNSA-N 461.606 4.505 50 10 JJGE O=C(N[C@@H](CBr)c1ccccc1)c1ccc(I)c(Cl)c1 232349048 BAXUBRKJHJUUSY-AWEZNQCLSA-N 464.528 4.811 50 10 JJGE CCCCOc1ccccc1C=NNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 252590383 ASGLYGGXEXOCDZ-UHFFFAOYSA-N 493.629 4.828 50 10 JJGE Cc1nnc(SCC(=O)NN=Cc2ccccc2OCCOc2ccc(C(C)(C)C)cc2)s1 254720979 IDZMYMWXUGYHLQ-UHFFFAOYSA-N 484.647 4.844 50 10 JJGE CCOc1cc(C=NNC(=O)COc2ccc3ccccc3c2)ccc1OC(=O)c1ccc(OC)cc1 254838077 DQCACJKYICCLPE-UHFFFAOYSA-N 498.535 4.995 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2C[C@H]3CCCC[C@@H]3O2)CC1 380827233 RJVCFFIAPZDCMU-IKGGRYGDSA-N 479.399 4.555 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CCSC[C@H]1CCBr 689218054 KTJQSBLGOJPUDC-SSDOTTSWSA-N 478.069 4.616 50 10 JJGE O=C(NC[C@H]1CCC[C@H](CCl)C1)c1ccc(I)c(Br)c1 721571169 CUCKMYNSPMWCJK-QWRGUYRKSA-N 470.576 4.829 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)c(-c2ccccc2)n1 761396164 CAJYPBMCXQWFNY-UUYOSTAYSA-N 490.519 4.709 50 10 JJGE C#CCOc1c(CC=C)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OC 1084404262 APWPUUWYMLYDOP-UHFFFAOYSA-N 467.319 4.708 50 10 JJGE O=C(COc1ccc(Cl)cc1Cl)NN=Cc1ccccc1OCc1ccc(C(=O)O)cc1 1084484580 WCJGPWGLKYFXDR-UHFFFAOYSA-N 473.312 4.800 50 10 JJGE Cc1cc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)c(C)n1Cc1cccs1 1086860420 RPTWAQUMUYMRNV-UHFFFAOYSA-N 459.571 4.722 50 10 JJGE CC(=O)N1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)CC12CCCCC2 1267356473 GLWNRYLCQWJZTO-UQQQWYQISA-N 458.606 4.703 50 10 JJGE CCCc1nn(C)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865688349 PYAOHNPLBIJNLT-XMMPIXPASA-N 458.562 4.877 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)ccc1OC(C)C 1865696109 CGGUUHIZERCMCA-LJQANCHMSA-N 470.451 4.905 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1c[nH]c2ccccc12 1865699810 CXVZSDAPYLGVNJ-GOSISDBHSA-N 453.399 4.789 50 10 JJGE CC[C@H](NC(=O)CCCC(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1866798738 PXRDIGYHTQPLRX-IBGZPJMESA-N 488.407 4.909 50 10 JJGE C[C@H](Cc1ccc(F)cc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1866840064 OUONRXOCYZWRTN-MZNJEOGPSA-N 477.561 4.649 50 10 JJGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)Cc1ccccc1I 1914193961 QJVZMOXHRYGQRU-AWEZNQCLSA-N 472.164 4.646 50 10 JJGE O=C(N[C@@H](CCBr)C(F)(F)F)c1cccc(Br)c1Br 1918514689 FQBPCFKQVHMSBN-QMMMGPOBSA-N 467.905 4.657 50 10 JJGE O=C(N[C@H]1CCC[C@H]1CCBr)c1scc(Br)c1Br 2030115833 FDAGOFCUGSWFAO-CBAPKCEASA-N 460.029 4.957 50 10 JJGE N#CC(=Cc1cc(Br)c(O)c(Br)c1)S(=O)(=O)c1ccc(Cl)cc1 2041467675 PVJZPRMPEQGFMR-UHFFFAOYSA-N 477.561 4.909 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(Cl)cc1Br 2061268381 SCONCHCXCJJRAP-UHFFFAOYSA-N 469.854 4.738 50 10 JJGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Cl)c1 2123204083 HLLUUVORYUQGSC-UHFFFAOYSA-N 460.821 4.852 50 10 JJGE F[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(I)c(Cl)c1 2142946162 ZENLVXOTAUTSFR-RDBQEKCUSA-N 458.540 4.783 50 10 JJGE Cc1cc(Br)c(CBr)c(N(C)Cc2cn(C)nc2Br)c1 2173447619 OINVVMMLRKJGEK-UHFFFAOYSA-N 466.015 4.785 50 10 JJGE CN([C@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CCBr)s1 2179820130 USFBOXMRWBRAPI-HKUYNNGSSA-N 472.470 4.690 50 10 JJGE C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(CBr)c2Cl)CCN1Cc1ccccc1 2179833590 CSQIXCNSHJIRBO-CQSZACIVSA-N 492.266 4.783 50 10 JJGE Cc1c([C@@H](Br)c2cc3c(cc2Br)OCC3)c(Br)nn1C 2188150465 NTSUYIJZPMJIRE-ZDUSSCGKSA-N 464.983 4.673 50 10 JJGE Cn1nc(Br)c([C@@H](Br)c2cc(Br)ccc2Br)n1 2214374876 KKCURAUOCWSICQ-QMMMGPOBSA-N 488.803 4.587 50 10 JJGE COc1cc(Br)c([C@@H](Br)c2cnn(C)c2Br)cc1C 2227720577 ABAWQYHTBMFAJA-GFCCVEGCSA-N 452.972 4.746 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CCC(CCl)(C(F)F)CC1 2289948628 DJYIEPZKWWSKOD-UHFFFAOYSA-N 451.558 4.999 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)NCC[C@H]1CCC[C@@H]1Br 2295307106 FNYHHMGELMIIBP-RISCZKNCSA-N 468.027 4.824 50 10 JJGE COCCCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 2296702684 PIUNLSDSFZQKRD-UHFFFAOYSA-N 458.562 4.634 50 10 JJGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@H]1CN(CCCCCI)C2 2320885246 SCLPUYPLUWYECU-YOEHRIQHSA-N 472.358 4.606 50 10 JJGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccccc4OC)cs3)CC2=O)cc1 2331281947 LKQJWKWULGTHRJ-KRWDZBQOSA-N 489.553 4.841 50 10 JJGE Brc1cc(Br)cc(C[C@H](Br)[C@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1 2335066532 LYKYIAZVMPTKEG-QZOBBIQNSA-N 450.996 4.941 50 10 JJGE C[C@H](c1ccncc1F)[C@@H](Br)c1c(Br)c(Br)nn1C 2344693449 UKMJKIMTSGLYRA-HZGVNTEJSA-N 455.951 4.719 50 10 JJGE F[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1cc(I)ccc1Cl 2352432297 RASHSOOQJQJTPX-HBJVGIJOSA-N 458.540 4.783 50 10 JJGE O=C(NC1CCCC1)[C@H](c1cccc(Br)c1)N(Cc1ccccc1)C(=O)CCl 3039628 OXJBGRIAIZYPQF-NRFANRHFSA-N 463.803 4.817 50 10 JJGE O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cccc(OCCc2ccccc2)c1 10330817 KVHTVBLKKFAGMW-UHFFFAOYSA-N 466.537 4.815 50 10 JJGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)c1ccccc1OCc1ccccc1 14643416 MYYLKGKXXRBYAP-GOSISDBHSA-N 497.389 4.873 50 10 JJGE COc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1C 33527861 OQLZAMQRPBDMAF-OCKHKDLRSA-N 489.484 4.528 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1 38685854 MTULCPNVLOHPJC-LMKMVOKYSA-N 474.488 4.815 50 10 JJGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)c1 39858617 LMFHSTAHHCFPOQ-HKWRFOASSA-N 450.498 4.958 50 10 JJGE Cc1cc2occ(CC(=O)NNC(=O)COc3ccc(Cl)cc3Cl)c2c(C)c1Cl 39893017 HLLNOUJBFPYMGR-UHFFFAOYSA-N 455.725 4.779 50 10 JJGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40824059 YQEWDEWFOKYCJR-RDRPBHBLSA-N 470.451 4.834 50 10 JJGE COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1OCc1ccc(C(=O)O)cc1 59146587 HORXPVUONLGGJM-LGJNPRDNSA-N 452.894 4.698 50 10 JJGE O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1cccc(N2CCCC2=O)c1 59507808 JJSUZXXKPCGFBC-JVWAILMASA-N 492.373 4.919 50 10 JJGE Cc1ccc(Cn2cccc(C(=O)N/N=C\c3ccc(OCc4ccccc4)cc3)c2=O)cc1 169919970 SPBSGEANZWTJMA-MIXAMLLLSA-N 451.526 4.548 50 10 JJGE O=C(NC[C@@H]1CCCC[C@@H]1CBr)c1cc(Cl)ccc1I 236065758 YIXRXMIMMIKVJM-MNOVXSKESA-N 470.576 4.876 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H]2CC[C@H](Br)C[C@H]2C1 398739846 OTCMGRWYAHMJAQ-SRVKXCTJSA-N 468.560 4.580 50 10 JJGE C[C@@H](CCl)[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1I 696716285 WWQKABKBYKYGLK-HZMBPMFUSA-N 470.576 4.923 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)OCc2ccc(Cl)nc2)c(-c2ccc(Cl)cc2)n1 889335411 FRXZKHDBAGZCNC-YVLHZVERSA-N 452.301 4.816 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1cc(C(=O)O)ccc1Cl 1084046542 PXQQCBHHSFCFMQ-PXLXIMEGSA-N 488.975 4.702 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccccc1C(F)(F)F 1084467327 QEYZVEITQSDGLD-UHFFFAOYSA-N 462.859 4.855 50 10 JJGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(CCCc3ccccc3)cc2)cc1 1215067989 ZNAXIBZEXUBUCM-HXUWFJFHSA-N 459.546 4.685 50 10 JJGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Cl)CCC3)c1 1772744187 RRCPDWUMODVYIY-UHFFFAOYSA-N 481.936 4.981 50 10 JJGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865699390 SMGDCYGFNMFRCK-HSZRJFAPSA-N 453.546 4.925 50 10 JJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1 1865708786 FZSKTVCNBCNKTP-INIZCTEOSA-N 474.826 4.549 50 10 JJGE COc1ccc(-c2ccc(C(=O)N/N=C\c3ccc(F)c(Br)c3)c(C)n2)cc1OC 1865760957 YZEHYWFOXNCJLL-ROTLSHHCSA-N 472.314 4.740 50 10 JJGE Clc1ccc(I)c(CN2C[C@H](CBr)C3(CCC3)C2)c1 1914520127 VFBHPJGZBXCBFD-LBPRGKRZSA-N 454.577 4.942 50 10 JJGE CC1(C)CN(C(=O)c2scc(Br)c2Br)C[C@H]1CBr 1914530709 FESQZJITQGHMEY-SSDOTTSWSA-N 460.029 4.766 50 10 JJGE CCn1cc(Br)c(COc2ccc(CBr)cc2Br)n1 2124752716 ZEGSRMURMIGRGH-UHFFFAOYSA-N 452.972 4.902 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@H](Br)[C@@H]2CC[C@@H]21 2133723837 SKBJPZLVRUYURE-XDTLVQLUSA-N 451.984 4.600 50 10 JJGE C[C@@H]1CC[C@@](CCl)(NC(=O)c2ccc(Br)cc2I)C1 2142282921 JUWFIDMHXHYJAI-YMTOWFKASA-N 456.549 4.581 50 10 JJGE CN(C(=O)c1ccc(Br)cc1I)C1CCC(Cl)CC1 2142284741 HFDFOFNGJUUESQ-UHFFFAOYSA-N 456.549 4.676 50 10 JJGE O=S(=O)(c1ccc(CBr)cc1Cl)N(Cc1ccccc1)CC1CCOCC1 2179793785 YSQBXLYISZABCG-UHFFFAOYSA-N 472.832 4.852 50 10 JJGE O=C(c1ccc(Br)cc1I)N1[C@@H](CCl)CCC12CCC2 2207266849 HORIVTPEZFCNAB-LLVKDONJSA-N 468.560 4.820 50 10 JJGE C[C@@H]1C[C@@H](Br)[C@@H](C)N(c2ncc(C(F)(F)F)cc2I)C1 2235881173 AGNMCIOUEKQKDB-NQMVMOMDSA-N 463.079 4.703 50 10 JJGE CCCN1CCC[C@H]([C@@H](Br)c2scc(Br)c2Cl)S1(=O)=O 2279292417 JVOMXYYHUUKYER-NXEZZACHSA-N 465.660 4.804 50 10 JJGE C=CC[C@]1(CBr)CCCN1C(=O)c1cc(Cl)ccc1I 2287794923 XEKZWVKUUJRDPB-OAHLLOKOSA-N 468.560 4.890 50 10 JJGE CC1(C)[C@H]2CO[C@@]1(CO[C@H](CI)c1ccccc1Br)C2 2289221302 DXNXVBBHRQZATP-DJSGYFEHSA-N 451.142 4.757 50 10 JJGE CCOc1cc(C=CC(=O)NN)cc(Br)c1OCc1ccc(Cl)cc1Cl 2293937647 FKDZLWNDYKGSQJ-UHFFFAOYSA-N 460.155 4.737 50 10 JJGE COc1ccccc1NC(=O)COc1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 2294746033 PTGANCHCSZEEEB-UHFFFAOYSA-N 491.931 4.920 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@H]1CCC[C@H]1CBr 2295314860 DROMJCBVQOVNFI-NWDGAFQWSA-N 468.027 4.682 50 10 JJGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)Nc1cc(C)ccc1C 2314531864 FJYSFTNQETUXQC-UHFFFAOYSA-N 480.524 4.966 50 10 JJGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2cc(Br)ccc2OC)c(OC)c1 2314772765 TZYGUOOWVQIVAX-UHFFFAOYSA-N 486.318 4.555 50 10 JJGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1ccc(Cl)c(Cl)c1 2320404563 QXRYYJLHBUJYMR-AWEZNQCLSA-N 467.212 4.642 50 10 JJGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)NCc1ccccc1Cl 2324697142 BLJUOQWFSQMBIR-UHFFFAOYSA-N 471.004 4.771 50 10 JJGE Brc1cc(CN2CC[C@H](Br)[C@H]2C2CC2)ccc1I 2325206913 LXKGRCDRVVDUAT-SMDDNHRTSA-N 485.001 4.802 50 10 JJGE COc1cc(C(O)=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c([N+](=O)[O-])cc1OC 2331236591 KBVBJBJFAHXBOM-UHFFFAOYSA-N 454.420 4.594 50 10 JJGE O=[N+]([O-])c1cc(CBr)ccc1OCc1sccc1I 2338759053 VNTCBTNYSCAYDD-UHFFFAOYSA-N 454.083 4.735 50 10 JJGE CC(C)[C@@H]1C[C@H](Cl)CN1C(=O)c1ccc(Br)cc1I 2344590551 DNWWDFINZWEBDK-GWCFXTLKSA-N 456.549 4.532 50 10 JJGE O=C(N[C@H](CBr)c1ccccc1)c1ccc(Cl)cc1I 2365582417 QWJRSNIFXNZSKA-CQSZACIVSA-N 464.528 4.811 50 10 JJGE CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NN=Cc1ccc(Br)cc1 6190632 DPMJGBQZILDEMC-DEOSSOPVSA-N 492.417 4.872 50 10 JJGE CCc1ccc(OCC(=O)NNC(=O)[C@@H](CC)Oc2ccccc2[C@H](C)CC)c(Br)c1 10683675 NBJUIJQUXQGGSI-OXQOHEQNSA-N 491.426 4.909 50 10 JJGE O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cc2ccccc2cc1O 33958750 YOWUYMJPWGIXJZ-AFUMVMLFSA-N 472.413 4.918 50 10 JJGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C)cc3)ccc21 38650455 DEKSPOWRYLMHMP-AREMUKBSSA-N 456.498 4.596 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@H]1c1ccccc1F 38652359 ZAXNWRRDTDSHFP-HSZRJFAPSA-N 450.853 4.682 50 10 JJGE Cc1ccc(C(C)(C)C)c(OCC(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)c1 40846281 KDIUYCPVBFBMNF-BXVZCJGGSA-N 455.558 4.739 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)OC)cc3C)c2C)cc1 58894421 HDSASWGAAMKIAY-XAVTVXAQSA-N 491.588 4.552 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)c(Br)c1O 59432872 MMXVVUIOAFTFJG-KPKJPENVSA-N 466.129 4.780 50 10 JJGE COC(=O)c1c(NC(=O)c2ccccc2I)sc(/C(C)=C/C#N)c1C 59472674 YIRLZZOYUXXKIP-CSKARUKUSA-N 466.300 4.627 50 10 JJGE Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)CCc3ccc(C(F)(F)F)cc3)cc2)n1 97553551 IQKKMBOJVDPZER-UHFFFAOYSA-N 488.535 4.798 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1OC 101333728 LHQYXPAVGZGOQT-LPYMAVHISA-N 482.540 4.557 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1OC 205648371 CYPXWCHCGRCSMU-SZOICLBVSA-N 454.482 4.541 50 10 JJGE O=C(NCc1ccc(CBr)cc1)c1cc(Cl)ccc1I 236066667 HNEGURYSCQEFEW-UHFFFAOYSA-N 464.528 4.770 50 10 JJGE Cc1cc(Br)c(NCC(=O)NN=C/C=C\c2ccccc2)c(Br)c1 254313344 SOKUTEVQUDSWBF-OTSWZWFRSA-N 451.162 4.747 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc(OC)cc2)cc1 254369447 XQCIAFBHCUIUNV-UHFFFAOYSA-N 498.535 4.995 50 10 JJGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cccs1)C(O)(c1ccccc1)c1ccccc1 254577528 MUOMMKMAPWUDHW-UHFFFAOYSA-N 478.577 4.987 50 10 JJGE CCCCCCCCOc1ccc(C=NNC(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 254761866 KUIRRPRVQPZPJP-UHFFFAOYSA-N 456.499 4.935 50 10 JJGE COc1cc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)ccc1O 254815029 ZGIJGRKOMDDTDC-UHFFFAOYSA-N 496.639 4.940 50 10 JJGE Cn1ncc([C@@H](Cl)c2cc(Cl)c(Br)s2)c1I 393601518 UFBLHKYODHYHOR-SSDOTTSWSA-N 451.942 4.830 50 10 JJGE CC(C)(CBr)CCNC(=O)c1ccc(I)c(Br)c1 721594317 OPERQAPPQMVVFT-UHFFFAOYSA-N 488.989 4.595 50 10 JJGE COc1ccc(N2C(=O)CC[C@@H](C(=O)NNc3ccc(F)c(F)c3F)[C@H]2c2ccccc2OC)cc1 728718300 GJRJBJSIZIXTPB-IQGLISFBSA-N 499.489 4.749 50 10 JJGE CN(CCN(C)c1ccccc1)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 730756923 CMKJXMFFFRNNJN-FXBPSFAMSA-N 472.980 4.619 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)OCc2cccc(Br)c2)c(-c2ccccc2)n1 761418472 YJYVUXYTBXWDTJ-UYRXBGFRSA-N 461.319 4.877 50 10 JJGE CCOC(=O)Nc1cccc(OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1 914464275 BXYLMPVYYKTKQP-XMHGGMMESA-N 455.474 4.545 50 10 JJGE C[C@@H]1CCCC[C@H]1OCCNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 916060712 CROZFBAJSQDSSR-WSGMWJAYSA-N 465.985 4.736 50 10 JJGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2ccccc2C(F)(F)F)c1C 1084396309 MOEDMTZPFVCQDG-UHFFFAOYSA-N 472.467 4.600 50 10 JJGE O=C(CCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NN=Cc1ccc(Br)cc1 1084396456 GAYXLBROPHTPFF-UHFFFAOYSA-N 473.249 4.719 50 10 JJGE CCOc1cc(C=NNC(=O)c2cc(Br)ccc2O)ccc1OCc1ccccc1 1084416557 IQOWPXASJNUHCS-UHFFFAOYSA-N 469.335 4.896 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)NCCc2ccc(C(F)(F)F)cn2)c(-c2ccc(Cl)cc2)n1 1350858686 FUYFKHBAVVKXIV-ATVHPVEESA-N 498.896 4.797 50 10 JJGE CC(=O)c1cc(NC(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)ccc1C 1466961273 OBHJMXVKKPGXGH-UHFFFAOYSA-N 453.502 4.517 50 10 JJGE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 1472473228 MLOCLMDBGDUCDV-KGAUPUERSA-N 458.436 4.757 50 10 JJGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1 1865693301 NAMSPOUSNNDGEX-IBGZPJMESA-N 484.478 4.966 50 10 JJGE COc1cc(/C=N\NC(=O)c2ccc(-c3ccc(C)c(C)c3)nc2C)cc(Br)c1O 1865761353 JSSGOBSHNNGRDN-ROTLSHHCSA-N 468.351 4.914 50 10 JJGE Cc1nc(C)c(CC(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)s1 1866570702 IVOPSSDWAXJIIF-OAQYLSRUSA-N 496.683 4.933 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc(Br)cc4C3=O)n2)cc1 1872746204 XOLDMTCBUNUCKP-ZPHPHTNESA-N 496.342 4.670 50 10 JJGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)N2C(=O)c3ccccc3C2=O)n1 1872758649 JVWGTCFYCBFPKY-SJKAGUJJSA-N 465.918 4.949 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc4ccccc4oc3=O)n2)c(OC)c1OC 1872759746 YGHDNQIBVFZISC-SILNSSARSA-N 462.483 4.892 50 10 JJGE O=C(NC[C@@H]1CCCC2(CCC2)[C@@H]1Br)c1csc(I)c1 1924848565 ZGGJUOKLXMFWMM-GXFFZTMASA-N 468.198 4.816 50 10 JJGE C[C@H]1C[C@@H](Cl)[C@H](C)CN1C(=O)c1cc(I)ccc1Br 2093100663 GMNRATQCYRWBGV-VYUIOLGVSA-N 456.549 4.532 50 10 JJGE C[C@H]1CC[C@@H](CCl)N(C(=O)c2cc(I)ccc2Br)C1 2110617008 OCJMGDLRLORABD-ONGXEEELSA-N 456.549 4.533 50 10 JJGE CC1(C)CO[C@H](CBr)CN1Cc1c(Br)cccc1Br 2111216523 AGVHCTKGKITVTQ-SNVBAGLBSA-N 456.016 4.586 50 10 JJGE CC1(C)[C@@H](Cl)CC[C@@H]1NC(=O)c1cc(I)ccc1Br 2142128045 XQZMSFLNUTWWLA-RYUDHWBXSA-N 456.549 4.580 50 10 JJGE O=C(N[C@H]1CCC[C@H]1CCCl)c1ccc(Br)cc1I 2142280174 ZZBITHVYWGFTOB-ZANVPECISA-N 456.549 4.581 50 10 JJGE Cn1nc([C@@H](Br)c2cc(Br)c3c(c2)CCCO3)cc1Br 2150477889 CSYJBOIUUWFUJM-ZDUSSCGKSA-N 464.983 4.754 50 10 JJGE COCCn1ncc(Br)c1C[C@H](Br)c1cccc(Br)c1 2169798392 CWSLFVHPUYRVNH-LBPRGKRZSA-N 466.999 4.733 50 10 JJGE CC(C)(C)OC(=O)NC1CC(C[S@@](C)(=O)=NC[C@@H](CBr)c2ccccc2)C1 2172246798 KLPGWEQGGPAVKT-COEHAYNSSA-N 459.450 4.566 50 10 JJGE C[C@H]1CN(S(=O)(=O)c2ccc(CBr)c(Cl)c2)[C@H](C)CN1Cc1ccccc1 2179778760 GLRFQDQZAKFTRO-JKSUJKDBSA-N 471.848 4.518 50 10 JJGE CC1(C)[C@@H](Br)CC[C@@H]1NC(=O)c1ccc(Cl)c(I)c1 2268347245 TWDOFENCDNAJMV-RYUDHWBXSA-N 456.549 4.627 50 10 JJGE C[C@@H]1CC[C@](CBr)(NC(=O)Cc2cc(Br)cc(Br)c2)C1 2295312224 VKNQQFXNDXRXOB-BMIGLBTASA-N 468.027 4.824 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@H]1CCC[C@@H](Br)C1 2295315667 OPHKUWDAELEWMM-CMPLNLGQSA-N 468.027 4.824 50 10 JJGE COc1ccc(CC(=O)N(Cc2ccccc2)[C@H](C)CBr)c(Br)c1 2301107897 ZMVLLTSTSNYPSZ-CQSZACIVSA-N 455.190 4.812 50 10 JJGE Cc1cccc(C(=O)N[C@H](CCBr)COCc2ccccc2)c1Br 2303537101 DGZAZOYGBWBIPE-MRXNPFEDSA-N 455.190 4.858 50 10 JJGE COc1ccc(NC(=O)C(C#N)=Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])cc1 2313511107 OFRPDTCCBXPVJQ-UHFFFAOYSA-N 459.458 4.737 50 10 JJGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)NC)cc1 2314593575 PLSLVURMELPMNR-IBGZPJMESA-N 460.386 4.728 50 10 JJGE COc1ccc(C=CC(=O)NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1OC 2314717800 XORDSTUSLRGYIP-UHFFFAOYSA-N 468.594 4.657 50 10 JJGE CC(C)(CI)CN1CC[C@@H](C(F)(F)F)C[C@H]1CNC(=O)OC(C)(C)C 2326670325 UKDDVGJVDWIXQR-OLZOCXBDSA-N 478.337 4.615 50 10 JJGE FC1(F)CCN(Cc2ccc(Cl)cc2I)CC[C@@H]1Br 2341032807 PLGWFFSIXCVSFM-LBPRGKRZSA-N 464.519 4.939 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2CC[C@H]1[C@H](Br)C2 2349948543 OYNRZKBJFZJAHB-CKLFPEKLSA-N 451.984 4.600 50 10 JJGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccccc2CCc2ccccc2)c(OC)c1 33656202 VFCQFKSNZWZKBO-MOHJPFBDSA-N 466.537 4.909 50 10 JJGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 38602899 LFQALUWTXXBHNC-OEAKJJBVSA-N 466.541 4.857 50 10 JJGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1 102863406 UXNNPFRSELQLAI-FIWMFUAISA-N 458.587 4.853 50 10 JJGE O=C(Nc1cccc(CCCBr)c1)c1csc(I)c1 139428549 XNBPEBGPWNLQBG-UHFFFAOYSA-N 450.139 4.933 50 10 JJGE Cc1cccc(C(=O)N[C@@]2(CBr)CCC[C@@H](C)C2)c1I 235338905 ROUJBOPEACCURA-BZNIZROVSA-N 450.158 4.673 50 10 JJGE CC(C)(C)[C@H](CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 393994550 XTQCYSUKARPPGR-JTQLQIEISA-N 468.038 4.844 50 10 JJGE C[C@H](CCCCBr)NC(=O)c1cc(Br)ccc1I 398768127 HNQFHNFBGCBDDF-SECBINFHSA-N 488.989 4.737 50 10 JJGE Fc1ccc(N2CC[C@]3(CN(Cc4ccccc4)CCO3)C2)c(CBr)c1Cl 717604527 UHSLNQMPXNFNSN-NRFANRHFSA-N 453.783 4.855 50 10 JJGE CCc1ccc(NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1 761380872 DNQDKGQARKPISR-NDWLXSOOSA-N 467.529 4.504 50 10 JJGE Cc1ccc(S(=O)(=O)OC[C@H]2CO[C@@](CCl)(c3ccc(Cl)cc3Cl)O2)cc1 888085565 QRZGBKXOQYURPY-RDTXWAMCSA-N 451.755 4.514 50 10 JJGE CCOc1cc(C=NNC(=O)[C@@H](C)Sc2nc3ccccc3s2)cc(Br)c1O 1083846959 SPGIEKVGFUBBJR-LLVKDONJSA-N 480.409 4.794 50 10 JJGE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(Cl)cc1Br 1168061891 WLOQLRKGFIUSHG-ZDUSSCGKSA-N 453.164 4.582 50 10 JJGE Cc1cccc(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)c1C 1858685441 OJQBANIPEPXDSP-MRXNPFEDSA-N 450.451 4.624 50 10 JJGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865702198 PDWBILOYGSSHAW-DEOSSOPVSA-N 457.578 4.898 50 10 JJGE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OC(=O)c2ccccc2)cc1 1865705304 RJXWLWLYVPCVER-IBGZPJMESA-N 482.462 4.995 50 10 JJGE COc1ccc(-c2nn(C)c3c2[C@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865711547 BBUNTIINXDAZNL-XMMPIXPASA-N 464.525 4.893 50 10 JJGE CCC[C@H](NC(=O)Cc1nc(-c2cccc(F)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866657442 UHTOIOGDQPJAFO-FQEVSTJZSA-N 466.538 4.828 50 10 JJGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)c1 1873921116 VZJWGZRVYUVLGU-BJUXRVGASA-N 461.543 4.669 50 10 JJGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)C1CC(OCc2ccccc2)C1 1955614548 POYGEPRYRFGYCR-XTWGIRIWSA-N 466.441 4.740 50 10 JJGE CC[C@@H](C)[C@H](CI)NC(=O)c1csc(Br)c1Br 2023034635 XMCIOHKIWFBQGO-SVRRBLITSA-N 495.018 4.853 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2CC[C@H](Br)[C@H]2C1 2027643588 UNOKTJUJIDOEPY-FXQIFTODSA-N 458.013 4.519 50 10 JJGE CC[C@@H](Br)C(=O)N(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2044694295 SVGKOTDEMGOBPQ-OAHLLOKOSA-N 478.225 4.870 50 10 JJGE O=C(CBr)c1cc(I)c(C(F)(F)F)cc1OC(F)(F)F 2055119555 PGUFASSXNWWSMK-UHFFFAOYSA-N 476.936 4.786 50 10 JJGE C[C@H](NC(=O)c1ccc(Br)cc1I)C(C)(C)CBr 2086144909 GHQPFCBRYZVVHQ-QMMMGPOBSA-N 488.989 4.593 50 10 JJGE CN(C(=O)c1cccc(Br)c1Br)[C@@H]1CCCC[C@H]1Br 2092340189 NJVKRUWYDBYQGM-ZYHUDNBSSA-N 454.000 4.990 50 10 JJGE CC1(C)[C@H](CCl)CCN1C(=O)c1ccc(I)c(Br)c1 2095200703 VLRGXGMDLXJSDY-JTQLQIEISA-N 456.549 4.533 50 10 JJGE F[C@]1(CNc2ncc(I)cc2Br)CC[C@H](CCl)CC1 2133380483 UNWNMAMOKYOYQA-SWZMTVOYSA-N 461.544 4.998 50 10 JJGE CN([C@@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1cc(CCl)sc1Br 2154839762 MDMFRHQCNYUWJA-HNNXBMFYSA-N 491.904 4.923 50 10 JJGE BrC[C@@H]1CN(Cc2cccc(Br)c2Br)CC2(CCC2)O1 2165767735 XAQTWQYQYURMMS-GFCCVEGCSA-N 468.027 4.730 50 10 JJGE CCO[C@@H]1CC[C@@H]([C@@H](Br)c2cc(I)cc3c2OCC3)C1 2174889301 RQHPOJKTUNKNPO-WDBKCZKBSA-N 451.142 4.867 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNCc1ccc(Br)c2cccnc12 2181745209 ABKJLPZRBOZYFN-UHFFFAOYSA-N 472.474 4.993 50 10 JJGE Cc1cc(C(=O)NCC2(CBr)CCCCC2)ccc1I 2207106791 NGEWJQPZTMPYRC-UHFFFAOYSA-N 450.158 4.675 50 10 JJGE Cl[C@@H]1CCC[C@H]2CN(c3ncc(I)cc3Br)CC[C@@H]12 2225494533 ZKXHFQAWMOISEX-UFGOTCBOSA-N 455.565 4.683 50 10 JJGE C[C@@]1(CNC(=O)c2cc(Br)cc(Br)c2)CCC[C@H]1Br 2271303973 ZHSCASVRVWMDPV-OCCSQVGLSA-N 454.000 4.895 50 10 JJGE CC(C)CN(C[C@H](C)Cl)C(=O)c1ccc(Br)cc1I 2272443585 ZIECTTJKHWBCRF-JTQLQIEISA-N 458.565 4.779 50 10 JJGE CN(CC(C)(C)CBr)C(=O)Cc1cc(Br)cc(Br)c1 2277916593 OJTCNSDOWOIUDC-UHFFFAOYSA-N 456.016 4.634 50 10 JJGE COc1ccccc1C=CC=NNC(=O)CSc1nnc(SCc2ccccc2)s1 2293218314 BHTIQVQYIXRROD-UHFFFAOYSA-N 456.618 4.747 50 10 JJGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCc3ccco3)c(Oc3ccc(Cl)cc3Cl)nc12 2296723186 UVDNHCMGIVRQPV-UHFFFAOYSA-N 495.322 4.918 50 10 JJGE Cc1cc(OCCn2cc(C=C(C#N)C(=O)NC[C@@H]3CCCO3)c3ccccc32)ccc1Cl 2296917074 GKSGMMDURUCARK-QFIPXVFZSA-N 463.965 4.884 50 10 JJGE CN(Cc1ccc(I)c(Br)c1)C1(CCBr)CC1 2306228523 QWNOFRRURWJJDG-UHFFFAOYSA-N 472.990 4.803 50 10 JJGE CCOc1cc(C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314618154 IHFVYJNESSLRML-HSZRJFAPSA-N 486.568 4.744 50 10 JJGE CCSc1ccc(Cl)cc1CC(=O)NN=Cc1cc(Br)cc(OC)c1O 2323678243 RCDOLHFBOGXWTI-UHFFFAOYSA-N 457.777 4.622 50 10 JJGE Brc1ccc([C@@H](Br)[C@H]2COC3(CCC3)CO2)c(Br)c1 2338782602 GPSUFPDQTRGIRT-CHWSQXEVSA-N 454.984 4.986 50 10 JJGE CC(C)[C@H]1C[C@@H](Br)CN1C(=O)c1ccc(Cl)cc1I 2344773248 ZTQXCZONJMRESD-NOZJJQNGSA-N 456.549 4.579 50 10 JJGE Cc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1Br 14038723 RVMNBQGOSGGUCJ-MRXNPFEDSA-N 453.336 4.653 50 10 JJGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)[C@@H](C)Oc1c(C)cc(Br)cc1C 14642978 UCYNJTLUGFQSRB-RHSMWYFYSA-N 477.399 4.573 50 10 JJGE COc1ccc(/C=N/NC(=O)Cc2ccc(F)cc2)cc1COc1ccc(C(=O)OCC(C)C)cc1 20615835 IBXKIYUOHVJGJR-OKCVXOCRSA-N 492.547 4.919 50 10 JJGE CC(C)COC(=O)c1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)[C@@H]2Br)C3(C)C)cc1 35548725 YHKCPKOKSXAOQF-WQTXXOFMSA-N 450.373 4.597 50 10 JJGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 38654137 MAZNYJWCWGZADO-PUAOIOHZSA-N 485.496 4.748 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-])c1ccc(Br)cc1 40657907 OLGQVJJWLAUXKF-UHFFFAOYSA-N 497.231 4.667 50 10 JJGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812122 IFTGIXPSPXKMLJ-VUTHCHCSSA-N 454.486 4.565 50 10 JJGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1c(F)cccc1Cl 40852143 HPICQMNSLXUFFM-IFRROFPPSA-N 464.516 4.533 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CCCCC[C@@H]1CBr 161247625 NCZZFEUWNPRALA-LLVKDONJSA-N 454.000 4.991 50 10 JJGE CC(C)[C@H](CCBr)NC(=O)c1cc(I)ccc1Br 231124107 PVEJEZRZIOGVBB-LBPRGKRZSA-N 488.989 4.593 50 10 JJGE CC(=NNC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccc(Br)o2)c1 252621773 NGJKBJFWMCMNIE-UHFFFAOYSA-N 485.294 4.665 50 10 JJGE Cc1cccc(C(=O)N[C@H](CCBr)C2CCCC2)c1I 725038746 YLCXALPELPKOBT-CQSZACIVSA-N 450.158 4.673 50 10 JJGE CN(C)CCc1ccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 727998683 CQIKNXUNJHDKEI-LTGZKZEYSA-N 472.980 4.767 50 10 JJGE CCOc1cc2c(cc1OCC)CN(C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)CC2 914464207 FMEYKJDKWRBMNZ-HZHRSRAPSA-N 495.583 4.753 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCO[C@H](c3ccccc3)C2)c(-c2ccc(Cl)cc2)n1 914604914 CDNQLOCUMVBPEY-VNSJDZJPSA-N 471.948 4.624 50 10 JJGE COCc1cc(C)nc2sc(C(=O)NN=Cc3cc(Cl)c(O)c(OC)c3)c(-n3cccc3)c12 1081098341 GEQOKABHPSVGOX-UHFFFAOYSA-N 484.965 4.673 50 10 JJGE O=C(CSCc1ccc(Cl)cc1)NN=C1C(=O)N(CCOc2ccccc2)c2ccccc21 1084227246 UXQDYKYOIFJSED-UHFFFAOYSA-N 479.989 4.519 50 10 JJGE C=CCOc1ccc(Br)cc1C=NNC(=O)[C@@H](C)Oc1ccccc1Br 1084646856 DEVYARKBRVIADN-CYBMUJFWSA-N 482.172 4.694 50 10 JJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc1OCC 1865687850 BVWMNZQJRJXKKH-DEOSSOPVSA-N 462.525 4.785 50 10 JJGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865691978 GSRNUEOIKDBOGX-JOCHJYFZSA-N 464.953 4.773 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1OC 1865696168 XVXXNMIYFVRNNN-QFIPXVFZSA-N 450.926 4.519 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccccc1C(=O)O)C(C#N)=C(N)O2 1865704109 NJISJADYUPQQCT-HXUWFJFHSA-N 466.900 4.593 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1 1865712758 HGJUIZVSDCDTFE-HSZRJFAPSA-N 452.489 4.964 50 10 JJGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(Br)cc1 1865714157 FFBCQIWXSJYTKS-LJQANCHMSA-N 465.351 4.949 50 10 JJGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(O)c([N+](=O)[O-])c2)cc1 1865715026 TYPJBJVSINUUIM-HSZRJFAPSA-N 479.496 4.739 50 10 JJGE CC[C@@H](NC(=O)Cc1nc(-c2cccc(Cl)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866666179 VIOMWECJSADNJI-LJQANCHMSA-N 468.966 4.953 50 10 JJGE O=C1/C(=C/c2cc(Br)cc3c2OCOC3)Oc2cc(OC(=O)C(Cl)Cl)ccc21 1871385380 PTRFLHGPXSBDNL-WCSRMQSCSA-N 486.101 4.641 50 10 JJGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3cccc(OC)c3OCc3ccc(F)cc3)nc2c1 1872728743 QWUSXCXSCULVOT-XDHOZWIPSA-N 485.471 4.913 50 10 JJGE CC(C)(C)c1csc(/C(C#N)=C(\O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 1872748725 KVOTVQIRFUYEEO-ICFOKQHNSA-N 468.535 4.998 50 10 JJGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)CC1=O 1872749121 CBDNCEZITNZRAT-QIDKZVQTSA-N 459.527 4.751 50 10 JJGE C[C@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)CC1=O 1872750658 JAHHYKFLDXUQLL-DPHYRHQSSA-N 473.554 4.984 50 10 JJGE O=C(c1ccc(I)cc1)N(CCCBr)Cc1ccccc1 1914611696 VNDYJKKHHVRCCA-UHFFFAOYSA-N 458.137 4.719 50 10 JJGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1Br 1915088982 RSYSEXWODQAPHI-CQSZACIVSA-N 479.209 4.953 50 10 JJGE O=S(=O)(c1sccc1Br)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915167882 YFBFXYRMPAOXOO-OAHLLOKOSA-N 479.259 4.875 50 10 JJGE C[C@@H]([C@@H](Cl)c1c(Br)sc(Br)c1Br)S(C)(=O)=O 1924580843 VJTZHQVKDXDHCT-BBIVZNJYSA-N 475.449 4.749 50 10 JJGE O=C(N[C@H](CCl)CC1CCCC1)c1ccc(I)c(Br)c1 1926736183 NJWZOBWMQLALCE-LBPRGKRZSA-N 470.576 4.971 50 10 JJGE Brc1cc(I)cnc1N1CC[C@H]2CC[C@@H](Br)[C@H]1C2 2069532407 VBLQGOBUXHEBRO-HLUHBDAQSA-N 485.989 4.591 50 10 JJGE C[C@]1(CCCl)CCN(C(=O)c2cc(Br)ccc2I)C1 2131916998 SDDAFEGXEAZQCU-AWEZNQCLSA-N 456.549 4.535 50 10 JJGE O=C(NC[C@]12CCC[C@]1(CBr)C2)c1cc(Br)sc1Br 2142941026 SGLQKJKZZHZOSR-CHWSQXEVSA-N 472.040 4.958 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CC2(CCC2)C[C@@H]1CBr 2151516558 STGJFBOXNHNRHR-LLVKDONJSA-N 468.560 4.724 50 10 JJGE CC(C)(C)[C@@H]1C[C@H](CBr)CN(C(=O)c2csc(I)c2)C1 2165001088 KBKMLXHMZOCYKZ-ZYHUDNBSSA-N 470.214 4.872 50 10 JJGE Cn1cc([C@H](Br)c2cc(Br)cc3c2OCCC3)c(Br)n1 2173183567 QQCQAUFQHQUDMF-GFCCVEGCSA-N 464.983 4.754 50 10 JJGE CC[C@H]1CN(S(=O)(=O)c2ccc(CBr)c(Cl)c2)CCN1Cc1ccccc1 2179782052 ZXNCXRDOSIBEQZ-SFHVURJKSA-N 471.848 4.520 50 10 JJGE Cc1nn(C)c(CN(C)c2ccc(CBr)cc2Br)c1Br 2192430282 CDTDVXNSHPTOKT-UHFFFAOYSA-N 466.015 4.785 50 10 JJGE CC(C)(C)OC(=O)N1CCN(CCCCCI)[C@@H](c2ccccc2)C1 2220220562 ULLADMAWAREBPJ-GOSISDBHSA-N 458.384 4.886 50 10 JJGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NC2CCCCC2)cc1 2296543612 QNNXQLLLAWIZIM-UHFFFAOYSA-N 456.546 4.714 50 10 JJGE COC(=O)c1ccc(NC(=O)C(C#N)=Cc2cn(Cc3ccccc3C#N)c3ccccc23)cc1 2297551912 GDFSSUJPPMCUGL-UHFFFAOYSA-N 460.493 4.894 50 10 JJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(F)cc1 2314522523 MVLDAWXFBCLCIY-UHFFFAOYSA-N 473.485 4.745 50 10 JJGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC)C(=O)C(C#N)=C2C)c1 2314617995 FKUTYTVKXISTCQ-UHFFFAOYSA-N 496.567 4.567 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)c(C)c1C 2331361267 BVQIZMSGARSKES-OAHLLOKOSA-N 459.527 4.913 50 10 JJGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1C 2331402781 PSGJFIKVZRYSQN-OAHLLOKOSA-N 459.527 4.913 50 10 JJGE CN[C@H](c1c(C)cc(Br)c(OC)c1Br)C1CC(Br)C1 2339649067 RLUKRMJZBMHJCO-RPTIHFLNSA-N 456.016 4.963 50 10 JJGE O=C(N[C@@H]1C[C@H](CBr)C12CCC2)c1c(Br)cccc1Br 2379719959 NWRNLBIZPABBAN-BXKDBHETSA-N 466.011 4.895 50 10 JJGE N#C/C(=C\c1ccccc1)C(=O)OCC(=O)Nc1nc(-c2cccc(Br)c2)cs1 3278023 JSUOUGICXJQBNN-CXUHLZMHSA-N 468.332 4.661 50 10 JJGE C/C(=N\NC(=O)COc1ccc(Br)cc1Br)c1ccc(Cl)cc1 12584174 MVDWDSAMALUWSP-KEBDBYFISA-N 460.553 4.784 50 10 JJGE CC(C)CCOc1ccccc1C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 14033750 PTECVEWVYWTICV-UHFFFAOYSA-N 477.399 4.837 50 10 JJGE N#C/C(=C\c1ccccc1OCC(=O)Nc1nccs1)c1nc(O)c2cc(Cl)ccc2n1 35519729 PUDLULCYPCNHRE-NTEUORMPSA-N 463.906 4.527 50 10 JJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C1=O 38606623 FOFYQXTVTJVQPV-PXLXIMEGSA-N 464.949 4.938 50 10 JJGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1 38649352 SINKWZYNFIOVBM-QFIPXVFZSA-N 461.861 4.994 50 10 JJGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2OC)c1 38657115 YVLSUTCYUHWTIN-AREMUKBSSA-N 486.524 4.930 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)c1OC 38658742 PUGSLMSEFHHSPX-DEOSSOPVSA-N 492.915 4.560 50 10 JJGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc21 40530367 ACHNPYNZEDVKFX-VWLOTQADSA-N 480.476 4.629 50 10 JJGE Cc1ccc2nc(Nc3ncnc(NNC(=O)c4ccc(Cl)cc4Cl)c3N)sc2c1 40783575 NSLOTNIVERYSGN-UHFFFAOYSA-N 460.350 4.784 50 10 JJGE O=C(CSCc1ccc(Cl)cc1)N/N=C/c1cc(Br)cc(Br)c1O 59155967 VZMASOQYQVNKMH-IFRROFPPSA-N 492.620 4.954 50 10 JJGE CCCCCCCOc1ccc(/C=C2/C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1OCC 101335441 BMEQHOLKNSUDGV-LTGZKZEYSA-N 454.567 4.673 50 10 JJGE COc1cc(/C=N\NC(=O)c2sc(N)nc2C)ccc1OCc1ccc(C(C)(C)C)cc1 169888378 QWBHESBWSNIEAP-ZMFRSBBQSA-N 452.580 4.683 50 10 JJGE C[C@H](NC(=O)/C(C#N)=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 216959436 YTEASGBWMGSAOZ-QPQZTTLASA-N 450.586 4.678 50 10 JJGE COc1cc(C[C@H](Br)c2cc(Br)cc(Br)c2)ncn1 234994359 QPGDLTXYECEJAJ-LBPRGKRZSA-N 450.956 4.689 50 10 JJGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(SCc3ccccc3)s2)c(O)c1 254516707 ZRYHEHZWLMRTQK-UHFFFAOYSA-N 487.676 4.625 50 10 JJGE O=C(NN=C/C=C\c1ccccc1)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)NN=C/C=C/c1ccccc1 254626412 IFSARANVDOTMOA-GIESYROFSA-N 493.523 4.609 50 10 JJGE BrC[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(I)cc1 382684364 GUKLFQNUEZFJCN-FUHWJXTLSA-N 456.165 4.902 50 10 JJGE CC[C@H](Br)CCCNC(=O)c1cc(I)ccc1Br 398557216 KWXWXVNTEQQLIL-VIFPVBQESA-N 488.989 4.737 50 10 JJGE Cc1cccc(N(CC(=O)NN=Cc2ccc3c4c(cccc24)CC3)S(=O)(=O)c2ccccc2)c1 1084432452 RJMNVYGNFXFKMH-UHFFFAOYSA-N 483.593 4.592 50 10 JJGE CCOc1cc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)ccc1OC 1614689387 YVVZGXUOIHDBPW-RTBURBONSA-N 451.348 4.745 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1O 1865682868 ZGJCEHDFOXYNRY-KRWDZBQOSA-N 476.842 4.536 50 10 JJGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1CC(Br)C1 1893144328 OORLXSZVPDXJDQ-OCJFHSIUSA-N 485.422 4.839 50 10 JJGE Cn1nc([C@@H](Br)c2sc(Cl)cc2I)cc1Br 1901026124 NIAUUJXNLYWBIN-MRVPVSSYSA-N 496.393 4.986 50 10 JJGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 1914228041 LXRIECWDDIMQMV-GFCCVEGCSA-N 456.134 4.783 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC(C)(C)C(F)(F)F)C1 1990086909 HRTRDYJKNMFMNA-CQSZACIVSA-N 451.267 4.549 50 10 JJGE C[C@@H]1C[C@H]1N(CCBr)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2167106864 NYEVLPISEROOPZ-RDDDGLTNSA-N 466.022 4.550 50 10 JJGE Cc1c([C@H](Br)c2cc(Br)c3c(c2)CCO3)nn(C)c1Br 2168218829 TWGFWKKTQFDQRS-LLVKDONJSA-N 464.983 4.673 50 10 JJGE Cc1csc(CN(C)S(=O)(=O)c2ccc(CBr)s2)c1Br 2179823951 PFPPBAZEOAWYKK-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE O=C(NC[C@]1(CCl)C[C@H]1C(F)(F)F)c1scc(Br)c1Br 2192573197 PDGYYKSMADJVSQ-LHLIQPBNSA-N 455.521 4.810 50 10 JJGE CC1CCC(CBr)(NC(=O)c2c(F)cccc2I)CC1 2282800608 FYMDJHYGIOCBTC-UHFFFAOYSA-N 454.121 4.504 50 10 JJGE COc1cc(OC)c([C@@H](Br)c2sccc2I)cc1OC 2289404697 MMQXIIYLWWBPSH-CYBMUJFWSA-N 469.138 4.863 50 10 JJGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N2CCOCC2)cc1C 2296539119 CNSYPQRMHYFCPI-UHFFFAOYSA-N 470.573 4.792 50 10 JJGE Cn1nc(Br)c(Br)c1[C@@H](Cl)Cc1ncccc1Br 2316716927 CKTPASUTLPRWDM-ZETCQYMHSA-N 458.379 4.625 50 10 JJGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c(OC)c2)cc1 2320506587 MRISRSGNVSZPGZ-UHFFFAOYSA-N 475.413 4.804 50 10 JJGE N#CC(=C(O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2cccs2)cs1 2331327456 IUKUMHZHIJITKO-UHFFFAOYSA-N 472.345 4.723 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCS(=O)(=O)C1 2339673493 BIDAGTFGSHNKRP-GMSGAONNSA-N 479.003 4.530 50 10 JJGE FC1(F)CC[C@@H]2[C@@H]([C@@H](Br)c3cc(I)cc4c3OCC4)[C@@H]21 2355155154 RPKAHJVBVZZZQY-JHEVNIALSA-N 455.080 4.953 50 10 JJGE C[C@H]1[C@H](C)N(c2ncc(C(F)(F)F)cc2I)CC[C@H]1Br 2370660452 JDWHQXNEVJRYCD-OYNCUSHFSA-N 463.079 4.703 50 10 JJGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)COc1ccc(Cl)cc1Cl 10682878 RSHFMWMVNVNVMC-RDTXWAMCSA-N 453.366 4.891 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(Cl)cc2Cl)c(Br)c1 12403489 QVWBNJMOGFIYMB-UHFFFAOYSA-N 474.182 4.893 50 10 JJGE O=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 14030855 QKBYZBDWSJAGPX-ISLYRVAYSA-N 481.577 4.768 50 10 JJGE C[C@@H](C(=O)Oc1ccc(/C=C(/C#N)c2cccc(Cl)c2)cc1)N1C(=O)c2ccccc2C1=O 31901530 HESQJRNCFHNPLV-UEIJICEPSA-N 456.885 4.994 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)c(OC)c1 38657087 DWHAFDJNUOJMCT-MHZLTWQESA-N 486.524 4.523 50 10 JJGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(OC)ccc1OC 38659965 OCLBIPOOLZIVSO-SANMLTNESA-N 486.524 4.930 50 10 JJGE COc1ccc(C)cc1NC(=O)COc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1OC 50715803 HHMLWFMETOWNFD-UYRXBGFRSA-N 468.513 4.970 50 10 JJGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(CC)cc1 101241467 YVPBQKBDBXYGBF-YWDBVWQESA-N 451.979 4.631 50 10 JJGE COc1ccc(C(=O)Nc2cccc(C(C)=NNC(=O)c3c(O)ccc4ccccc34)c2)cc1OC 254820699 XRMUOBIEUXKLBK-UHFFFAOYSA-N 483.524 4.969 50 10 JJGE C#CCOc1ccc(Br)cc1C=NNC(=O)[C@@H](C)Oc1ccc(OCCCCC)cc1 254854738 QSKWMQYQXIDMIH-GOSISDBHSA-N 487.394 4.948 50 10 JJGE Nc1ccc(Br)cc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CBr 394700061 XUYPINFBLIYBIJ-PBHICJAKSA-N 468.189 4.778 50 10 JJGE C[C@H]1[C@H](Cl)C[C@H]2CC[C@H]1N2C(=O)c1cc(Br)ccc1I 686175486 GIBHVDFTEXNEFT-NVBBAKCQSA-N 468.560 4.674 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc3ccccc3c2)c(-c2ccccc2)n1 761381143 HBGIOKNFBWRMPJ-JLPGSUDCSA-N 460.493 4.950 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2ncccn2)c(C)n1-c1cccc2ccccc12 821790137 CWVLBPWTNYKLGX-OMNSNBSWSA-N 465.513 4.515 50 10 JJGE CCc1ccc(OCC(=O)NN=C(C)c2ccc(Br)cc2)c(Br)c1 1084250957 LYKJKQYVHHUNGK-UHFFFAOYSA-N 454.162 4.693 50 10 JJGE C=CCOc1c(CC=C)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OCC 1084304925 SJGQUJLCKBISDT-DEOSSOPVSA-N 466.578 4.741 50 10 JJGE COc1c(C)cccc1C(=O)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084384485 MKWOWKCDJCDBCX-UHFFFAOYSA-N 496.336 4.586 50 10 JJGE C/C(=C\C(=O)NNC(=O)COc1ccc(OCc2ccccc2)cc1)c1ccccc1Cl 1124154960 JELKMWILGYIITP-OBGWFSINSA-N 450.922 4.549 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCN(Cc2ccccc2)C(C)(C)C1 1171974161 CMRMTXQLCTTYBZ-FQEVSTJZSA-N 453.718 4.925 50 10 JJGE CCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc1 1772747941 WHOFTZCGOYGEGO-UHFFFAOYSA-N 474.517 4.710 50 10 JJGE COc1cc(C(=O)NNc2nc(-c3ccc(C)cc3)cs2)c(Br)c(OC)c1OC 1860394920 YHGFOZWPBJYSPQ-UHFFFAOYSA-N 478.368 4.664 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)ccc1O 1865681078 DQBXDJDSVONEKK-NRFANRHFSA-N 471.344 4.869 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cccc(OC)c1O)C(C#N)=C(N)O2 1865684570 SEHZSVPWBRLKHO-FQEVSTJZSA-N 468.916 4.609 50 10 JJGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(Br)cc1 1865691179 LSQHOUIHVUQHOZ-OAQYLSRUSA-N 463.335 4.726 50 10 JJGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)C[C@@H]2CCCCO2)cc1 1867257300 SMEKNJUMHZVUMT-RBBKRZOGSA-N 469.632 4.576 50 10 JJGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OCc4ccccc4F)c(OC)c3)nc2c1 1872728670 NKYOXUZEBOHDLU-YBFXNURJSA-N 485.471 4.913 50 10 JJGE Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3cccc(OCc4ccccc4Cl)c3)ccc12 1873794085 UCELDISYNYOGKS-CCVNUDIWSA-N 476.916 4.863 50 10 JJGE O=C(N[C@H](CSC[C@H]1C[C@H](Br)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1877478862 PCGBNASGCKLYOX-VTJXTGGHSA-N 490.419 4.885 50 10 JJGE C[C@H]1CC[C@@](CBr)(NC(=O)c2cc(Br)cc(Br)c2)C1 1880939274 NPFLHGYGWKSHRY-LKFCYVNXSA-N 454.000 4.895 50 10 JJGE COc1cc(C[C@H](Br)c2csc(Br)c2Br)ncn1 2032954280 ZVNVNNDSVCBMDO-QMMMGPOBSA-N 456.985 4.750 50 10 JJGE CC1(C)[C@H](CCl)CCN1C(=O)c1cc(I)ccc1Br 2095203823 COMHHPPRCABPMT-VIFPVBQESA-N 456.549 4.533 50 10 JJGE ClCc1ccc(Br)c(Cl)c1N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 2098113036 COKVKLRRSMNNRX-ZWKOTPCHSA-N 456.211 4.931 50 10 JJGE CN(C(=O)c1ccc(Cl)c(I)c1)[C@@H](CCBr)C(F)(F)F 2283657730 UZVHGOYLOXINPX-JTQLQIEISA-N 484.481 4.733 50 10 JJGE COCc1cc(Br)c([C@H](Br)c2cscc2S(C)(=O)=O)s1 2288513871 PNCUBZMQZPULDU-LLVKDONJSA-N 460.234 4.606 50 10 JJGE COc1ccc(OC)c(NC=C(C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)c1 2295882851 MWFKQNTUIWMCGF-UHFFFAOYSA-N 476.470 4.818 50 10 JJGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1C 2314594010 XLHZOIVPNHMXQC-QHCPKHFHSA-N 457.555 4.639 50 10 JJGE Cc1[nH]c2ccccc2c1C=C(C#N)C(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2 2314656316 HFTUOXQDKAXKSE-GOSISDBHSA-N 488.613 4.871 50 10 JJGE COc1ccc(C(=O)N[C@H](CCBr)COCc2ccccc2)cc1Br 2320356151 HWUHIWQTJZKBRZ-MRXNPFEDSA-N 471.189 4.558 50 10 JJGE O=C(NCC(F)(F)C(F)(F)CI)c1ccc(Br)cc1Cl 2361687281 POURQZZIZAQIQQ-UHFFFAOYSA-N 488.444 4.538 50 10 JJGE CN(CC[C@@H](Br)c1cccs1)S(=O)(=O)c1cc(Br)cs1 2366231421 XTMBLQOZNLKETF-SNVBAGLBSA-N 459.250 4.719 50 10 JJGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)c1OCc1ccc(Cl)cc1 1471923 NXHMOYCFPUSOGO-NRFANRHFSA-N 463.921 4.533 50 10 JJGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 33380645 HUGHCEGIPZTNPJ-GUNDDFSMSA-N 471.557 4.611 50 10 JJGE C/C(=N/NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 33774248 WCJMUVUCJCALNO-FNWLEYBCSA-N 486.956 4.571 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1OC 38658674 ARXGOYDTRQQXIG-RUZDIDTESA-N 492.915 4.560 50 10 JJGE O=C(NNc1ncnc(Nc2cccc3cccnc23)c1[N+](=O)[O-])c1cccc2ccccc12 40626350 YFIFMFFQMFIHLJ-UHFFFAOYSA-N 451.446 4.587 50 10 JJGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1)c1ccccc1O 59460798 VDPKZLPENBARDS-MOHJPFBDSA-N 464.528 4.837 50 10 JJGE COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCCOc3cccc(OC)c3)c(OC)c2)cc1 96501005 CIBKNTYRCRQCKT-HKWRFOASSA-N 474.513 4.716 50 10 JJGE O=C(C/C(=N/NC(=O)c1cccc(I)c1)c1ccccc1)c1ccccc1 100419319 YHVUEYKKOJAMQS-GFMRDNFCSA-N 468.294 4.698 50 10 JJGE O=c1[nH]c2cc(Br)c([C@H](Br)c3ccccc3Br)cc2[nH]1 109884379 SPQSFNDUGDFQEL-CYBMUJFWSA-N 460.951 4.866 50 10 JJGE CCOc1cc(C=NNC(=O)COc2c(C)cccc2C)ccc1OC(=O)c1ccc(F)cc1 254744106 PJLUHRDIKSFFCC-UHFFFAOYSA-N 464.493 4.590 50 10 JJGE Cc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2Br)cc1 254816823 RQQGXAYJOJBAJM-UHFFFAOYSA-N 467.319 4.506 50 10 JJGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NN=Cc1ccc3cccc(OCc4ccccc4)c3n1)C[C@@H]2O 256022842 WKOYNEJFVBVSOE-LBNPDIFZSA-N 457.574 4.841 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(F)cc2F)[C@@H](CI)C1 382722527 OFWZBYACEWPCLL-YOEHRIQHSA-N 457.258 4.752 50 10 JJGE O=C(CBr)c1cc(OC(F)(F)F)c(I)cc1Br 575693907 DCQQNWJBHIDYPW-UHFFFAOYSA-N 487.835 4.530 50 10 JJGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@@]1(C)CBr 694700392 NFSXJVSSEDXUNG-YMTOWFKASA-N 454.000 4.705 50 10 JJGE C[C@@H]1CCCN(C(=O)c2ccc(I)c(Cl)c2)[C@H]1CCBr 697197767 BZXPUXRCRVNATK-YGRLFVJLSA-N 470.576 4.970 50 10 JJGE C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 1084452340 VZWQLBLFEQNZAZ-LYBHJNIJSA-N 457.574 4.634 50 10 JJGE C=CCOc1cc(OC)ccc1C(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl 1628586360 HJGCMPKJANFFQJ-UHFFFAOYSA-N 459.877 4.564 50 10 JJGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2)CCC3)c1 1772744039 QNAVHWXNFNNFOL-UHFFFAOYSA-N 481.936 4.981 50 10 JJGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688588 VVVKTTJHGYOVDZ-DEOSSOPVSA-N 452.514 4.823 50 10 JJGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865701617 ZPGFNGHPJGFZNN-HXUWFJFHSA-N 450.926 4.714 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865703949 JJHVKUKRSVSRKI-QHCPKHFHSA-N 496.498 4.662 50 10 JJGE C[C@H](NC(=O)CCCC(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1866796332 AAKZJHQODHMAHZ-AWEZNQCLSA-N 474.380 4.519 50 10 JJGE N#C/C(=C(/O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745342 IRQPTLQYQGQZIP-XDOYNYLZSA-N 486.509 4.686 50 10 JJGE CC(C)(C)OC(=O)NCCCN(C(=O)C1CC(Br)C1)c1cccc(Br)c1 1887732788 ZDXFHFXDJKCYLY-UHFFFAOYSA-N 490.236 4.870 50 10 JJGE Clc1cc(I)c([C@@H]2CC[C@H](CI)O2)s1 1889652959 YRWKKQVMNOZGMT-VDTYLAMSSA-N 454.498 4.661 50 10 JJGE COC[C@@](C)(COc1c(Br)cc(Br)cc1CBr)OC 1895828705 AHHPZHUAXDTPQD-ZDUSSCGKSA-N 460.988 4.537 50 10 JJGE O=C(Nc1cc(Br)c(I)c(Br)c1)OCCl 1931647766 QFDVNHGDCVJUJJ-UHFFFAOYSA-N 469.298 4.561 50 10 JJGE FC(F)(F)Oc1c(Br)ccc(CBr)c1I 2054808923 HLFGYQRNZZOACS-UHFFFAOYSA-N 459.825 4.847 50 10 JJGE O=C(CBr)c1cc(I)c(OC(F)(F)F)cc1C(F)(F)F 2055119311 JKALCZXTDWEMJQ-UHFFFAOYSA-N 476.936 4.786 50 10 JJGE COc1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)c(C)c1 2079258754 MLFYPHSGZCCGHC-UHFFFAOYSA-N 475.046 4.708 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CCCC[C@@H]1CCBr 2092340868 VKEWKTSQHFMPEV-SNVBAGLBSA-N 454.000 4.991 50 10 JJGE COC[C@H](C)OC[C@H](Br)CCc1cccc(Br)c1Br 2099444682 VCGPWPJQDKVCON-CMPLNLGQSA-N 459.016 4.959 50 10 JJGE CC(C)(CBr)c1cn(Cc2cc(Br)ccc2Br)nn1 2118525538 VJXMYWFOGMYTSA-UHFFFAOYSA-N 451.988 4.524 50 10 JJGE CC1(C)CC[C@H](CBr)N1C(=O)c1c(Br)cccc1Br 2140845608 ITQKEJPQTFVRGO-SECBINFHSA-N 454.000 4.990 50 10 JJGE ClCCc1nc2cc(I)ccc2n1CCc1nccn1Cc1ccccc1 2146218383 XCYXMSQWSDEFBS-UHFFFAOYSA-N 490.776 4.910 50 10 JJGE CCOC(=O)C12CC(CI)(C1)O[C@H]2c1ccccc1NC(=O)OC(C)(C)C 2162150729 YPLQGTICTNGKDO-VMEOHVCESA-N 487.334 4.622 50 10 JJGE CC1(C)CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)cc1Cl 2179792924 MEPLZAUVWJXUHG-UHFFFAOYSA-N 471.848 4.520 50 10 JJGE C[C@](CI)(OCCOCCOCCOCc1ccccc1)c1ccccc1 2236089165 PKPQQBDXHNFUHO-JOCHJYFZSA-N 484.374 4.603 50 10 JJGE CCn1ncc(Br)c1[C@H](Br)c1ccc2c(c1Br)CCO2 2238062411 FUSUXKPWBAPFAJ-CYBMUJFWSA-N 464.983 4.847 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1CCCCC[C@@H]1Br 2295316001 SHOJLBNAAIHEMA-KBPBESRZSA-N 468.027 4.967 50 10 JJGE Cc1cc(OCCn2cc(C=C(C#N)C(=O)NC[C@H]3CCCO3)c3ccccc32)ccc1Cl 2296917073 GKSGMMDURUCARK-JOCHJYFZSA-N 463.965 4.884 50 10 JJGE C[C@H]1CCN(Cc2ccc(I)c(Br)c2)C[C@@H]1Br 2306220119 UCYXOUJOKUSEEO-CABZTGNLSA-N 472.990 4.659 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1O 2313518176 PVPPWCDGBIWZQX-UHFFFAOYSA-N 462.287 4.558 50 10 JJGE CCCC1=NN(c2ccccc2)C(=O)C1=C(C)NNC(=O)c1cc(OCC)c(OCC)c(OCC)c1 2313681567 ICJQJMROSDSGEU-UHFFFAOYSA-N 494.592 4.594 50 10 JJGE Brc1cc(CN2CC[C@H](Br)[C@H]3CC[C@@H]32)ccc1I 2325206524 HDBKWJSJCFQGPU-SUNKGSAMSA-N 485.001 4.802 50 10 JJGE COc1c(Br)cc(C)cc1[C@H](Br)c1c(Br)ncn1C 2337317029 KTUHXRYXQUVJGT-JTQLQIEISA-N 452.972 4.746 50 10 JJGE COc1ccccc1C[C@H](Br)c1c(Br)c(Br)nn1C 2338692062 ZCCUCIAPAMHEES-VIFPVBQESA-N 452.972 4.632 50 10 JJGE Cc1cccc(C(=O)N(C[C@@H](C)Br)C2CCCC2)c1I 2368848446 YDIJXCJJWWIZHY-GFCCVEGCSA-N 450.158 4.768 50 10 JJGE C[C@@H](Br)CN(C(=O)c1cccc(F)c1I)C1CCCC1 2368848588 YXLYQORUNZHLAK-SNVBAGLBSA-N 454.121 4.599 50 10 JJGE Clc1cc(CN(CCCBr)C2CCOCC2)ccc1I 2381150038 VPVPRHKMROSGEW-UHFFFAOYSA-N 472.592 4.711 50 10 JJGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(Cl)c2)CCC3)cc1 40813358 PSAUSUFOHVLXPA-TURZUDJPSA-N 479.920 4.751 50 10 JJGE CCOc1ccc(Br)cc1/C=N/NC(=O)COc1c(C)cc(Br)cc1C 40888841 VUZBBCSVYSDNTL-LSHDLFTRSA-N 484.188 4.756 50 10 JJGE CCn1c(=O)oc2cc([C@H](Br)c3ccccc3I)ccc21 51363807 VOWHNONPHSTVAK-HNNXBMFYSA-N 458.093 4.703 50 10 JJGE CCN(CC)c1ccc(/C=C2/CCC(/C=N/NC(=O)c3ccoc3C)=C2N2CCOCC2)cc1 89969102 VKBWPQLSODTUSS-XERXECTMSA-N 462.594 4.614 50 10 JJGE COc1cc(F)c([C@H](Br)c2ccccc2I)cc1OC 109885016 FNEZCXWGDPTUOR-OAHLLOKOSA-N 451.073 4.932 50 10 JJGE CCc1nn(C)c(COc2ccc(Br)c(CBr)c2)c1Br 129061722 LNSKZEFESZOQKN-UHFFFAOYSA-N 466.999 4.981 50 10 JJGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 206394916 VWHUKLQVHPFLSU-NHFKTHAYSA-N 498.535 4.555 50 10 JJGE COc1ccc(OC)c(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)c1 254386229 FBBNUSRMIQIOSE-UHFFFAOYSA-N 474.586 4.653 50 10 JJGE C[C@H](Cl)C[C@H]1CCCN1C(=O)c1cc(Br)ccc1I 311986337 MVFUQYCVNORRCD-GXSJLCMTSA-N 456.549 4.676 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccc(O)c(Br)c2)C1 382728186 RYJWEZHEGOFAHW-NEPJUHHUSA-N 482.156 4.540 50 10 JJGE O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NN=Cc1ccc(Cl)c(Cl)c1 725408982 JPLFGOXGZISJCE-UHFFFAOYSA-N 496.803 4.992 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c(C)n1-c1ccc(Cl)cc1 726947990 JFPNYYICEVNRIV-LDADJPATSA-N 492.929 4.714 50 10 JJGE Cc1ccc(NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c(C)c1 729344316 FDWPOVBOVIROCZ-INKLHFNDSA-N 467.529 4.558 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2ncccn2)c(C)n1-c1cccc2ccccc12 821790136 CWVLBPWTNYKLGX-MLPWYGTASA-N 465.513 4.515 50 10 JJGE Cc1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3C#N)c(I)c2)cc1 1083973810 LUVVEFSJOTZSHK-UHFFFAOYSA-N 495.320 4.814 50 10 JJGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772748643 BSRUFTKOHGQBRW-UHFFFAOYSA-N 474.542 4.686 50 10 JJGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1C 1865759127 JSNISBLGGUCECD-UHFFFAOYSA-N 459.289 4.655 50 10 JJGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 1873795335 YRXYTFXBJRAETI-AKLYFZKISA-N 491.563 4.991 50 10 JJGE CCOc1cc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OCc1ccc(F)cc1 1873795607 SXMIQUXTHLHRQW-YJGSSNSBSA-N 487.572 4.803 50 10 JJGE Cn1ncc(Cl)c1[C@H](Br)c1sc(Cl)cc1I 1900924291 JNIJAZCERROWJY-ZETCQYMHSA-N 451.942 4.877 50 10 JJGE CC1(C)C[C@@H](Br)CN(C(=O)c2scc(Br)c2Br)C1 1923190292 ASEVFCJSCAGTJX-SSDOTTSWSA-N 460.029 4.909 50 10 JJGE O=S(=O)(c1cc(CBr)ccc1Br)N(Cc1ccccc1)CC1CC1 2009657868 GTPHOWSPLOCJFG-UHFFFAOYSA-N 473.230 4.945 50 10 JJGE CC1(C)CC[C@H](CBr)N(c2ncc(I)cc2Br)C1 2069528024 IIYNNRVIKIYAMH-SNVBAGLBSA-N 488.005 4.839 50 10 JJGE C[C@H]1C[C@@H](Cl)CCN(C(=O)c2cc(Br)ccc2I)C1 2103287237 PBCNNISIQTYFAX-ONGXEEELSA-N 456.549 4.533 50 10 JJGE CC1(C)C[C@@H](Br)CCN1C(=O)c1cc(Cl)ccc1I 2113586716 QJHQIMIHZCEBAP-VIFPVBQESA-N 456.549 4.723 50 10 JJGE COC[C@@H](C)OC[C@H](Br)CCc1cc(Br)ccc1Br 2118523843 CJYHATPKGRXVMX-ZWNOBZJWSA-N 459.016 4.959 50 10 JJGE FC1(F)[C@@H]2[C@@H]([C@@H](Br)c3cc(I)cc4c3OCC4)CC[C@H]21 2158333465 ONLFPLBEHFCXRU-WKSBVSIWSA-N 455.080 4.953 50 10 JJGE CC(C)(C)[C@H]1[C@@H](Cl)CCN1C(=O)c1ccc(Br)cc1I 2207263066 VOXWZRFTXSNUBJ-WCQYABFASA-N 470.576 4.922 50 10 JJGE CC(C)CN(C[C@H](C)Br)C(=O)c1cc(Cl)ccc1I 2272427575 BUHKZPYJEHZJLV-JTQLQIEISA-N 458.565 4.826 50 10 JJGE C[C@H](Cl)CN(C(=O)c1ccc(Br)cc1I)C1CCC1 2272443410 FIPFYFGIPMFQEW-VIFPVBQESA-N 456.549 4.676 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)NC1(CBr)CCCCC1 2295308566 YXUWKLWVKUPBND-UHFFFAOYSA-N 468.027 4.968 50 10 JJGE COc1ccc(OC)c(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Cl)cc2Cl)c1 2296826695 DXNIMLZARDLOPF-UHFFFAOYSA-N 498.366 4.932 50 10 JJGE C[C@H]([C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)S(C)(=O)=O 2315450213 ZSJTXLOSZNXWKG-SPGJFGJESA-N 487.410 4.873 50 10 JJGE CN(Cc1c(Br)cccc1Br)C[C@@H](Br)C(F)(F)F 2318203155 OAZFDDZFVASZJX-SNVBAGLBSA-N 453.922 4.969 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCc2cccc(C3CCC3)c2)C1 2320668271 BXCFMUKBZHQMIQ-ROUUACIJSA-N 457.352 4.894 50 10 JJGE BrCC1CC2(C1)CN(Cc1ccc(I)c(Br)c1)C2 2325233188 JSBBPCFBTGEMSJ-UHFFFAOYSA-N 485.001 4.661 50 10 JJGE CCOC(=O)c1sc(NC(=O)C(C#N)=Cc2ccc(OCCOC)cc2)nc1-c1ccccc1 2331124050 HHYGTVZAEGBQIS-UHFFFAOYSA-N 477.542 4.558 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CCC2CC1(CBr)C2 2336451432 MHROCYALTJOUAP-UHFFFAOYSA-N 451.984 4.601 50 10 JJGE CC(C)COc1cccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 10280590 ZPUSNPGUWCMYQC-UHFFFAOYSA-N 477.399 4.621 50 10 JJGE CC[C@@H](C)Oc1cccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 10662923 QUKNVYKKARQZGI-OAHLLOKOSA-N 477.399 4.764 50 10 JJGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)Cc1cccc2ccccc12 14033070 HBDBAMWKQBJZSB-UHFFFAOYSA-N 463.603 4.677 50 10 JJGE O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1ccccc1OCCOc1ccccc1 14040542 WQRPFVXSBXFAEU-UHFFFAOYSA-N 482.536 4.651 50 10 JJGE O=C(N[C@H](Cc1ccccc1)C(=O)NNc1c(Cl)cc(Cl)cc1Cl)c1ccco1 27568756 VVSDKOBVKKJGMS-MRXNPFEDSA-N 452.725 4.724 50 10 JJGE O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)NNC(=O)c1ccccc1Cl 39852950 RJMTVADGONWRCS-UHFFFAOYSA-N 450.901 4.806 50 10 JJGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816180 DDOWYQWQCZVVDY-ZTKZIYFRSA-N 469.497 4.591 50 10 JJGE CCCCCN1C(=O)/C(=N\NC(=O)COc2ccc(Cl)c(C)c2)c2cc(Br)ccc21 40846254 DJCMRYFJWDBGHY-QLYXXIJNSA-N 492.801 4.847 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1cccc(C)c1C 40870084 SOZVDZPDZWFEEK-OEAKJJBVSA-N 470.525 4.520 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccccc1C 206739547 KFKHHDCPNZEEBV-JWGURIENSA-N 488.540 4.975 50 10 JJGE CC[C@@H]1[C@H](CCl)CCN1C(=O)c1cc(Br)ccc1I 385647182 KPZZQEIKJIUBHL-TVQRCGJNSA-N 456.549 4.533 50 10 JJGE BrCc1cc(Br)ccc1N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 404132918 ALYMPBKOAFIBBH-NHCUHLMSSA-N 480.244 4.824 50 10 JJGE Cc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c(C)c1 1083927180 JCRQBQGSZKZMSU-UHFFFAOYSA-N 456.468 4.819 50 10 JJGE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(Cl)c(Br)c1 1646504108 HFHGVOGBJNOIDK-ZDUSSCGKSA-N 453.164 4.582 50 10 JJGE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684637 UQTOCMQZXGKVRU-LJQANCHMSA-N 455.743 4.874 50 10 JJGE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704691 CBNPGZBQDCHEME-VWLOTQADSA-N 480.499 4.816 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C12CCC2 2010829262 TUSQLAASOXOVNW-IRXDYDNUSA-N 475.721 4.566 50 10 JJGE FC(F)(F)CN(CCBr)Cc1c(Br)cccc1Br 2033090254 CIOJTNUZPHZXHC-UHFFFAOYSA-N 453.922 4.971 50 10 JJGE C[C@H]1C[C@@H](Br)CCN(C(=O)c2cc(Br)sc2Br)C1 2041568356 XHBXDFJCQVLYPV-YUMQZZPRSA-N 460.029 4.909 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@@H]2CC[C@@]2(CBr)C1 2078141753 FKRHJTRSSWCYRX-JVXZTZIISA-N 458.013 4.520 50 10 JJGE Cc1c([C@@H](Br)[C@H](C)c2ccncc2Br)c(Br)nn1C 2131590395 OSRDCXDECPMISP-KRTXAFLBSA-N 451.988 4.888 50 10 JJGE CCC[C@H](Br)CCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2146566020 HYOJYZCKTUSVGI-QMMMGPOBSA-N 468.038 4.988 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1[C@H](CCl)C[C@@H]2CCC[C@@H]21 2164657481 XCRAOLVVELCOSP-CHIMOYNISA-N 468.560 4.676 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)CC[C@H]1CCBr 2172471068 BYEHRSIHJZZYPD-GHMZBOCLSA-N 470.576 4.828 50 10 JJGE CC(C)(C)OC(=O)N1CCN(Cc2ccc(CBr)cc2)C[C@@H]1CC(F)(F)F 2182846143 ZYJWGFYTLLRJKX-INIZCTEOSA-N 451.327 4.955 50 10 JJGE O=S(=O)(c1ccc(F)c(Br)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 2224018136 HUFYNAZELBIHRX-GOSISDBHSA-N 491.220 4.953 50 10 JJGE FC(F)(F)c1cnc(N2[C@H]3CC[C@@H](Br)[C@H]2CC3)c(I)c1 2238210537 LXQCWXFQPUNYQQ-IQJOONFLSA-N 461.063 4.600 50 10 JJGE Cc1ccc(I)c(C(=O)N2CC(C)(C)CC[C@@H]2CBr)c1 2240925619 PRZNXWMTRNSAML-GFCCVEGCSA-N 450.158 4.625 50 10 JJGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1 2293039125 FNKMHJUSAUWBBM-HSZRJFAPSA-N 457.530 4.568 50 10 JJGE O=C(NN=Cc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2)nc(N2CCCCC2)n1 2323752261 OKPGIKZNDOFVEB-UHFFFAOYSA-N 453.468 4.917 50 10 JJGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccccc4)cs3)CC2=O)cc1 2331304259 VYGKKPFGVOZMFV-SFHVURJKSA-N 459.527 4.833 50 10 JJGE COc1ccc(OC)c(-c2csc(C(C#N)=Cc3cc4c(cc3[N+](=O)[O-])OCCO4)n2)c1 2331450637 IIKZAJOTYSHXOX-UHFFFAOYSA-N 451.460 4.571 50 10 JJGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2[C@H]3COC[C@H]32)c1Br 2339653291 HXQGQZFNMDFCII-UFGYURQFSA-N 454.984 4.857 50 10 JJGE COCc1ccc([C@@H](Br)c2ccc(OC)c(I)c2)s1 2342066423 LDSXICKAIQNTGD-AWEZNQCLSA-N 453.139 4.992 50 10 JJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2cccc(Br)c2Br)[C@H]1C 2344511333 AMCGCKBPADDJLP-QXEWZRGKSA-N 454.000 4.846 50 10 JJGE CCn1nc(Br)c(COc2c(Br)cc(Br)cc2CCl)n1 2379955335 YJGICGUAPOMXTH-UHFFFAOYSA-N 488.405 4.903 50 10 JJGE C[C@@]12CC3CC(C(=O)N/N=C/c4cc([N+](=O)[O-])cc(Br)c4O)(C1)C[C@](C)(C3)C2 1883506 XQGZFTYNEITNFY-KUAXTJFDSA-N 450.333 4.510 50 10 JJGE N#C/C(=C\c1ccccc1)C(=O)/N=C1\N=C2C=CC(I)=CN2Cc2ccccc21 13307030 LIMWAYWRTQGEAX-XAMYHVALSA-N 490.304 4.627 50 10 JJGE CN(c1ccccc1)c1ccc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 33560923 LMEXWWAVIQSNIS-AQTBWJFISA-N 456.458 4.680 50 10 JJGE CCc1nn(-c2ccc(F)cc2)c(N2CCN(C(C)C)CC2)c1CN(CC(C)C)C(=O)[C@@H](C)Cl 34835354 GUHOKIHHNCVTTR-HXUWFJFHSA-N 492.083 4.716 50 10 JJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1OC 38680964 UCHAFNDTVRKOGZ-VWLOTQADSA-N 499.479 4.606 50 10 JJGE COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccc(C)cc2C)nc2c(C)cccn2c1=O 39858876 AFEHSIZLRQIZLW-HKWRFOASSA-N 480.524 4.966 50 10 JJGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813543 MIYIUXSVYWEMBK-DFKUXCBWSA-N 495.535 4.870 50 10 JJGE CCOc1c(/C=N/NC(=O)COc2ccc(Br)cc2C(C)(C)C)cccc1OC 40912039 KWHXAYDUXBJWPS-ZMOGYAJESA-N 463.372 4.683 50 10 JJGE CCc1ccc(OCCCC(=O)N/N=C/c2ccc(Br)o2)c(Br)c1 40959459 KLRYWOBQNGSALS-RGVLZGJSSA-N 458.150 4.676 50 10 JJGE O=C(NC[C@H]1CCCC[C@H]1CBr)c1cc(Cl)ccc1I 236066531 YIXRXMIMMIKVJM-WDEREUQCSA-N 470.576 4.876 50 10 JJGE C#CCOc1ccc(Br)c(C=NNC(=O)COc2ccc(OCc3ccccc3)cc2)c1 252633123 VZUPNXXYCNLTNL-UHFFFAOYSA-N 493.357 4.569 50 10 JJGE Cc1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)cc1[N+](=O)[O-] 252640753 YWYMTLFXXHJRHK-UHFFFAOYSA-N 455.312 4.837 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccccc3F)cc2OC)cc1 254791668 MILGBJMWRBPFRX-UHFFFAOYSA-N 450.466 4.606 50 10 JJGE CC[C@H](Br)CCCNC(=O)c1cc(Br)ccc1I 398529535 BFORDPAGCWNMIL-VIFPVBQESA-N 488.989 4.737 50 10 JJGE Cc1cc(COc2c(Br)cc(CBr)cc2Br)nn1C 688115548 JLHWMYVKXMSRQV-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE CC1(C)CC[C@@H](CCl)N(C(=O)c2cc(I)ccc2Br)C1 701594393 HHJVWFHQJFKREL-NSHDSACASA-N 470.576 4.923 50 10 JJGE CC1(C)C[C@H](Cl)C[C@@H](NC(=O)c2ccc(I)c(Br)c2)C1 721620638 LWBGDKHHUKCWAD-GHMZBOCLSA-N 470.576 4.970 50 10 JJGE N#Cc1ccccc1COc1ccc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1Br 725398409 XABFIXHTAODZPV-QHCPKHFHSA-N 492.373 4.864 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c(C)n1-c1ccc(Cl)cc1 726948000 JFPNYYICEVNRIV-PDGQHHTCSA-N 492.929 4.714 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)NCCSc2ccc(Cl)cc2)c(-c2ccccc2)n1 914463471 GLUBCMYLMNKPLC-CYVLTUHYSA-N 461.978 4.933 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cc([N+](=O)[O-])ccc2F)C1 1614693337 VRKRQCVRNYXUHP-RHSMWYFYSA-N 484.265 4.521 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)C1 1614701727 NPIJHVSQVWPMLW-MFKMUULPSA-N 466.703 4.634 50 10 JJGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688644 XULSMPGKIKYAMK-FQEVSTJZSA-N 495.377 4.910 50 10 JJGE CCc1ccc(-c2ccc(C(=O)NNC(=O)[C@H]3CC(=O)N(c4c(CC)cccc4CC)C3)c(C)n2)cc1 1865758708 NCNOVNLTDULGDA-DEOSSOPVSA-N 498.627 4.558 50 10 JJGE N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(I)cc1F 1866128735 JBKSSQYFVWHPDW-YRNVUSSQSA-N 471.067 4.738 50 10 JJGE C[C@@H]1CC[C@](CBr)(NC(=O)c2cc(Br)cc(Br)c2)C1 1880939275 NPFLHGYGWKSHRY-OTYXRUKQSA-N 454.000 4.895 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@H](Br)CCc1cc(F)cc(Br)c1 1905343935 RDAPAKCPOUFUGK-GFCCVEGCSA-N 455.121 4.581 50 10 JJGE Cc1sc(Br)cc1S(=O)(=O)N(Cc1ccccc1)C[C@@H](C)Br 1914632231 DUYCWBSARGGERU-LLVKDONJSA-N 467.248 4.793 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CC[C@]2(CCC[C@H]2Br)C1 1918934943 CHQKJVCCBMGHCW-UKRRQHHQSA-N 468.560 4.724 50 10 JJGE O=S(=O)(C[C@@H](Br)c1cc(Br)c(Br)s1)N1CCCCC1 2089393442 KAOZQLQXZQMOHC-SECBINFHSA-N 496.084 4.525 50 10 JJGE CCOc1ccc([C@H](Br)c2cc(Br)n(C)n2)c(Br)c1 2094081378 BUSKVFICIBSNOI-ZDUSSCGKSA-N 452.972 4.828 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CC[C@@H]2C[C@@H](Cl)CC[C@@H]21 2143979064 VDPQWJLVERDAEZ-PUYPPJJSSA-N 468.560 4.676 50 10 JJGE C[C@H]1CCN(S(=O)(=O)c2cc(CBr)ccc2Cl)CCN1Cc1ccccc1 2179793196 QJFBEUDIIHWPAF-INIZCTEOSA-N 471.848 4.520 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CCC[C@H](CCCCl)C1 2234183756 MYLZCGFQYFNRKN-NSHDSACASA-N 470.576 4.925 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1C[C@H](Br)CC12CCCC2 2241030526 LYFQCMPANHBWKJ-SNVBAGLBSA-N 468.560 4.867 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(OCCc2ccccc2F)CC1 2263388544 AJVUXOXCFYYEDG-UHFFFAOYSA-N 463.331 4.590 50 10 JJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@H]2CCCO2)cc1Cl 2293034922 SQSDSMOXINJCJW-JOCHJYFZSA-N 476.964 4.794 50 10 JJGE CC1(C)C[C@H](CBr)CN1C(=O)Cc1cc(Br)cc(Br)c1 2295313383 JBXXGIKHZNFZEX-LLVKDONJSA-N 468.027 4.776 50 10 JJGE N#CC(C(N)=O)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 2296507178 XIAIROJPQBTZAC-INIZCTEOSA-N 497.201 4.667 50 10 JJGE CC[C@@H](C)[C@H](CI)NCc1cc(I)ccc1Cl 2307325331 XXDJUVMADPEVIG-RNCFNFMXSA-N 477.555 4.884 50 10 JJGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1C 2314593021 FYYWKNOJPUREBM-HSZRJFAPSA-N 475.545 4.778 50 10 JJGE COc1cc(C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 2314618410 NCQLOCGYMXQPCY-UHFFFAOYSA-N 454.567 4.527 50 10 JJGE CCOc1cc(C=NNC(=O)c2nc(-c3ccccc3)sc2C)cc([N+](=O)[O-])c1OCC 2323749949 NTJFPBFMZFYESZ-UHFFFAOYSA-N 454.508 4.588 50 10 JJGE CC1(C)CN(Cc2ccc(I)c(Br)c2)C[C@H]1CBr 2325226686 RPBJLVAPJPBRKQ-LLVKDONJSA-N 487.017 4.907 50 10 JJGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)cc2C1=O 2331333972 SPNOTQVYGAAYFF-ZDUSSCGKSA-N 473.510 4.883 50 10 JJGE COc1cc(C(=O)NCC(O)=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc(OC)c1OC 2331392980 BGIXYXDXVAZJBE-UHFFFAOYSA-N 493.585 4.984 50 10 JJGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CNS(=O)(=O)c3ccc(C)cc3)n2)cc1C 2331404002 YEIURZKIRVYDCR-UHFFFAOYSA-N 469.588 4.515 50 10 JJGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc([C@@H](C)CC)cc1 14033088 DQGMGJHWGALYSI-IBGZPJMESA-N 485.650 4.874 50 10 JJGE O=C(NNC(=O)c1ccccc1OCc1ccccc1)c1ccc(OCCOc2ccccc2)cc1 14039539 QJBUOZZUAWZAGW-UHFFFAOYSA-N 482.536 4.798 50 10 JJGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1Cl 38688258 MZEDQUYPOFIRCA-JOCHJYFZSA-N 477.860 4.694 50 10 JJGE N#C/C(=C/c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)C(=O)Nc1cccc(Cl)c1 39858688 SYODRHHRFLHHMO-QINSGFPZSA-N 460.852 4.825 50 10 JJGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811957 JIXWMVJCBLAYAV-VUTHCHCSSA-N 457.461 4.965 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 59147051 QWTBMQBTUMRCJK-WPWMEQJKSA-N 480.586 4.589 50 10 JJGE COc1ccc(CN(C(=O)CCl)[C@H](C(=O)NC2CCCCCC2)c2ccc(F)cc2)cc1 97914891 PQRSWTYQONILHS-DEOSSOPVSA-N 460.977 4.982 50 10 JJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC)C(=O)C(C#N)=C2C)cc1 214210270 WPUBTOAAGDBGPZ-JLPGSUDCSA-N 464.525 4.716 50 10 JJGE O=S(=O)(N[C@H]1CCC[C@@H]1CBr)c1c(Cl)cc(Br)cc1Cl 231618513 FAZRETFWKFVBQZ-HQJQHLMTSA-N 466.022 4.598 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(F)cc3)cc2OC)cc1 254371611 RGYPLYQEBHRURW-UHFFFAOYSA-N 450.466 4.606 50 10 JJGE CCOc1ccc(-n2c(SCC(=O)NN=C(C)c3ccccc3)nnc2-c2ccccc2)cc1 254733808 FOPGNLZKUUVMLS-UHFFFAOYSA-N 471.586 4.966 50 10 JJGE COc1ccc(-n2c(SCC(=O)NN=C/C(C)=C\c3ccco3)nnc2-c2ccccc2)cc1 254842740 WDNPTAGYAGKDDY-LWHLIZPRSA-N 473.558 4.834 50 10 JJGE O=C(NN=Cc1ccc(O)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 254876735 FOSLPHNUAQMFKG-UHFFFAOYSA-N 482.196 4.581 50 10 JJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2sccc2C)c2ccc(Cl)cc2C)cc1 725404828 GDCBZCSEGLHXSC-UHFFFAOYSA-N 476.023 4.672 50 10 JJGE CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NN=Cc2ccc(Cl)cc2)cc1 1084314087 GLDVSVUJPPWKPY-UHFFFAOYSA-N 476.385 4.724 50 10 JJGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(-c2ccc(I)cc2)o1 1084473821 YMZJUZFBNWZBAK-IBGZPJMESA-N 474.298 4.515 50 10 JJGE C=CCN(C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Br)cc2)c1C)[C@H](C)COC 1538864311 DEHAKUIAURXORD-VJOZSWGJSA-N 456.384 4.813 50 10 JJGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)cc1OC 1865696918 UFNQTRGYMVBXPL-DEOSSOPVSA-N 459.550 4.762 50 10 JJGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865699391 SMGDCYGFNMFRCK-QHCPKHFHSA-N 453.546 4.925 50 10 JJGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(OC)c1)C(C#N)=C(N)O2 1865705865 HVKAVDZXDALFDB-XMMPIXPASA-N 452.514 4.910 50 10 JJGE CC[C@@H](CC(=O)NCC(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1868159998 NAHMKSQFUIJGNI-AWEZNQCLSA-N 476.396 4.669 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(F)cc1 1873794367 FWUCTRBHQFNRNX-PGLHNWFYSA-N 487.572 4.803 50 10 JJGE CCN(C[C@](C)(CI)OCCOCc1ccccc1)C(=O)OC(C)(C)C 1880585148 JAIVDNCOFIJUJP-FQEVSTJZSA-N 477.383 4.671 50 10 JJGE O=C(NCCCCCI)c1csc(Br)c1Br 1937737099 DEXZUTVPRKBGII-UHFFFAOYSA-N 480.991 4.608 50 10 JJGE C[C@@]1(CBr)CCCCN1C(=O)c1c(Br)cccc1Br 2094090710 KCZHHQIKFYBARG-AWEZNQCLSA-N 454.000 4.991 50 10 JJGE C[C@@H]1C[C@H](Cl)CCN(C(=O)c2cc(I)ccc2Br)C1 2103283379 BZAZFLBRWQCLFO-NXEZZACHSA-N 456.549 4.533 50 10 JJGE CC1(C)C[C@H](Cl)CCN1C(=O)c1cc(I)ccc1Br 2113594962 YXKGMYQIDIVCRW-SECBINFHSA-N 456.549 4.676 50 10 JJGE O=C(NC[C@@]1(CBr)CC12CCC2)c1c(Br)cccc1Br 2154178033 FCWTWABQSCPZDN-HNNXBMFYSA-N 466.011 4.897 50 10 JJGE O=C(NC[C@@H](Cl)c1ccccc1)c1ccc(Br)cc1I 2207269134 OZWDWSOTYQDGHM-CYBMUJFWSA-N 464.528 4.764 50 10 JJGE CC1(C)C[C@@H](CCl)CN(C(=O)c2ccc(Br)cc2I)C1 2207273719 WVNCKZFYDNQIIR-JTQLQIEISA-N 470.576 4.781 50 10 JJGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)Cc1cccc(Br)c1 2210632743 IDTQNZQZFDVBEW-AWEZNQCLSA-N 461.219 4.565 50 10 JJGE CCN(C(=O)c1ccc(I)c(Cl)c1)[C@H]1CCC[C@H]1Br 2224423212 VAHOWWZAYACWLV-MFKMUULPSA-N 456.549 4.723 50 10 JJGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 2235953279 ZDVAFVBJUPOUCX-CQSZACIVSA-N 466.319 4.950 50 10 JJGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@H]2CCCO2)c1 2314476077 IHXDUEFPEFGDJB-AREMUKBSSA-N 470.573 4.920 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)c1OC 2314634524 DTQIATICIVTHID-SANMLTNESA-N 468.509 4.849 50 10 JJGE COc1ccc(Cl)c(CC(=O)NN=Cc2ccc(OCc3ccccc3F)c(OC)c2)c1 2323676615 PNGASFIFBJGSCD-UHFFFAOYSA-N 456.901 4.768 50 10 JJGE ClCC[C@H]1CN(Cc2ccc(I)c(Br)c2)CCS1 2325225613 HFQFNWFIUWCONE-NSHDSACASA-N 460.606 4.600 50 10 JJGE CC(C)(C)[C@H]1[C@@H](Br)CCN1C(=O)c1ccc(Cl)cc1I 2365590410 GOASWXLUUSYBCI-WCQYABFASA-N 470.576 4.969 50 10 JJGE COc1ccc(N(C(=O)CCl)[C@](C)(C(=O)Nc2c(C)cccc2C)c2ccccn2)cc1 4789164 VVMQRJVZHNVBRO-VWLOTQADSA-N 451.954 4.833 50 10 JJGE CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c(NC(=O)CCCCl)scc12 9277668 MUGRZZDZFXWZEY-UHFFFAOYSA-N 487.887 4.600 50 10 JJGE Cc1sc2[nH]c(SCC(=O)N/N=C/c3ccc(Cl)cc3)nc(=O)c2c1-c1ccccc1 19645995 BLORUNAGQMRQDU-BHGWPJFGSA-N 468.991 4.856 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc1OCC 38678980 OFRHNFICPXODIP-RUZDIDTESA-N 456.498 4.921 50 10 JJGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1/C(=N/NC(=O)c1ccccn1)CCC2 40814261 SFKLPWFUOBUCTF-UPESDTBGSA-N 460.509 4.574 50 10 JJGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 40815900 AWSNSKNMNHGZDK-JBASAIQMSA-N 452.514 4.788 50 10 JJGE CCN(CC)C(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccccc3)cs2)cc1OC 96504317 COUPZDZVKKSWBX-MOSHPQCFSA-N 490.585 4.612 50 10 JJGE Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3sc4c(c3C(N)=O)CCCC4)o2)c([N+](=O)[O-])c1 102976027 AEQLZDLLQHJDKM-KAMYIIQDSA-N 476.514 4.748 50 10 JJGE CCOc1cc(/C=N\NC(=O)c2sc(N)nc2CC)ccc1OCc1ccccc1Cl 169892161 OXXIMSRHWSLOKG-ROTLSHHCSA-N 458.971 4.683 50 10 JJGE CCCOc1ccccc1/C=C\C(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1 206963918 VFTPXIITWSZOHF-QUKINRJASA-N 456.498 4.911 50 10 JJGE Cc1cc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)ccc1F 382682849 DBLKWSLWPQGOJV-ZWKOTPCHSA-N 453.295 4.921 50 10 JJGE O=C(N[C@H](CCl)C1CCCCC1)c1cc(I)ccc1Br 395407425 CALXJYKVTIQFRG-CQSZACIVSA-N 470.576 4.971 50 10 JJGE C[C@@]1(CBr)CCCN(C(=O)c2cc(Cl)ccc2I)C1 688135339 HBLOLPXJVCIAGH-AWEZNQCLSA-N 456.549 4.582 50 10 JJGE C[C@]1(CBr)CCCN(C(=O)c2cc(Br)ccc2Br)C1 688136356 PITOJYQOGYFYJF-CQSZACIVSA-N 454.000 4.849 50 10 JJGE Cc1ccc(OCC(=O)NN=Cc2ccccc2OCc2ccccc2)c(Br)c1 1084563240 GZQRLKUKBMMKPO-UHFFFAOYSA-N 453.336 4.866 50 10 JJGE Cc1cccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)c1 1084604168 DCWIGLNOQDNPDI-UHFFFAOYSA-N 482.290 4.649 50 10 JJGE Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)NNC(=O)c3ccc(Br)cc3)s2)cc1 1318350588 ISRUEGANZYIHLG-CQSZACIVSA-N 473.396 4.895 50 10 JJGE C/C(=C/c1ccccc1Cl)C(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 1544389044 WDNUSDHZDIIAEP-IBOHTEHESA-N 459.977 4.518 50 10 JJGE O=[N+]([O-])c1ccc(Cl)cc1[C@H]1CN(Cc2ccccc2)C[C@@H]1CI 1614614459 ITGPOXXALIJRDJ-YOEHRIQHSA-N 456.711 4.899 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)nc1 1772746141 QMFMHLCSOPFMKQ-UHFFFAOYSA-N 481.350 4.777 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865684690 VVWFHITZCUTQOA-HSZRJFAPSA-N 498.514 4.678 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)c2cc(C3CC3)[nH]n2)cc1 1867148395 QJDWKDCYHOCUMA-QFIPXVFZSA-N 477.615 4.531 50 10 JJGE COc1ccc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1OCc1ccccc1Cl 1873793795 XZOKHIHIHBAMOS-IYAOEYEUSA-N 487.984 4.777 50 10 JJGE CCS(=O)(=O)C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 1899886940 WLZLTWARWYQDPA-KRWDZBQOSA-N 462.203 4.899 50 10 JJGE C[C@@](CCl)(CI)OCc1ccc(Cl)cc1I 1901596189 HVWMMTNLOLVPER-LLVKDONJSA-N 484.930 4.894 50 10 JJGE CC[C@@H](C)c1ccc(S(=O)(=O)N(C)C[C@@H](Br)COCc2ccccc2)cc1 1916334901 LXPWDOVEILQVSP-YLJYHZDGSA-N 454.430 4.801 50 10 JJGE CC1(C)C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1985350247 NJZUPMUPZQBIFV-MRXNPFEDSA-N 463.710 4.518 50 10 JJGE O=C(c1csc(Br)c1Br)N1[C@H]2CC[C@@H]1C[C@H](Br)C2 2037416227 ISZSXHIMDNNJDF-RNLVFQAGSA-N 458.013 4.804 50 10 JJGE O=C(c1csc(Br)c1Br)N1CC[C@@H](Br)CC12CC2 2050617402 BXBGCLSAKZNNSG-SSDOTTSWSA-N 458.013 4.805 50 10 JJGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1nnc2n1CCCCC2 2053514706 UCKCXMBKNCPXCG-UHFFFAOYSA-N 454.284 4.999 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CCSC[C@H]1CCBr 2094094775 FWWXIXOWUFOHQH-SECBINFHSA-N 472.040 4.554 50 10 JJGE Cc1cc(Br)c(C)c([C@H](Br)C2COCCOC2)c1Br 2138814510 BTRPAGUBXCXJPC-CQSZACIVSA-N 457.000 4.927 50 10 JJGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1cc(CCl)ccc1Br 2152214262 CEEVYSWVEXHLBC-UHFFFAOYSA-N 473.864 4.721 50 10 JJGE C[C@H](CCCCCI)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 2174527478 SPDWWHCDTWVURN-SNVBAGLBSA-N 450.169 4.656 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(F)(F)F)CCN1CCCCCI 2220216392 SBVSMZNIVUAFMJ-ZIAGYGMSSA-N 478.337 4.759 50 10 JJGE CCN(C(=O)c1cc(Cl)ccc1I)[C@@H]1CCC[C@@H]1Br 2224419289 HFTMPQDZGAYUJU-WCQYABFASA-N 456.549 4.723 50 10 JJGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC(Br)C1 2241644818 PWUPFRPWIJMXRO-OCJFHSIUSA-N 485.422 4.982 50 10 JJGE O=S1(=O)CCC[C@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272854378 PLGPFXDNQDIASF-IONNQARKSA-N 482.966 4.503 50 10 JJGE Ic1cccc(CO[C@H]2CCCCC[C@@H]2I)c1 2302690674 NPQOLIFAKMYUFJ-KBPBESRZSA-N 456.105 4.944 50 10 JJGE CCc1nc(C(=O)N[C@H](CCBr)COCc2ccccc2)c(Br)s1 2303544282 AULMCAKWGJLGMO-CYBMUJFWSA-N 476.234 4.568 50 10 JJGE CC(C)[C@@H](CBr)N(C)Cc1ccc(I)c(Br)c1 2306219089 IFXHLBAXKZUXKR-CYBMUJFWSA-N 475.006 4.905 50 10 JJGE CN(C)C(=O)C(C#N)=Cc1ccc(OCc2ccc(Cl)cc2)c(I)c1 2313568819 YYUOARXCKSLBIT-UHFFFAOYSA-N 466.706 4.519 50 10 JJGE COc1cc(C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314618089 HCUHRUZLHJPOMB-UHFFFAOYSA-N 474.557 4.682 50 10 JJGE CC1(C)CC[C@H](CBr)N1C(=O)c1ccc(Cl)cc1I 2340056934 JNTHFTPYXQWRRS-SNVBAGLBSA-N 456.549 4.723 50 10 JJGE CC(C)(C)C[C@@H](CBr)NC(=O)c1ccc(Cl)cc1I 2340061512 OQMQZHPTZWZIHJ-JTQLQIEISA-N 458.565 4.874 50 10 JJGE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(C[C@]1(CBr)CC1(F)F)CC2 2379985939 MACZBOMANNFXBQ-DNVCBOLYSA-N 451.396 4.764 50 10 JJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2)c1 12578324 VKPDQKNLMFHNHO-OAHLLOKOSA-N 486.355 4.783 50 10 JJGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 13986750 VYTMOZKWSZVGDI-UHFFFAOYSA-N 498.377 4.571 50 10 JJGE C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 20352670 XYTCVPLJYCGJNV-VBICMNQQSA-N 493.947 4.937 50 10 JJGE CCOc1cc(/C=C(/C#N)c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1ccc(OC)cc1 34988357 RXCQPBCDIDZIGY-RGEXLXHISA-N 496.523 4.824 50 10 JJGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1 38677096 CLJCZQNGVSFQLM-VWLOTQADSA-N 486.524 4.712 50 10 JJGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NCc5ccco5)c(C)c43)coc2c1C 40826706 FEPZEWUAOZFQBL-XHLNEMQHSA-N 473.529 4.873 50 10 JJGE CN(C)/C=C(\NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102618630 KFAFRLYCTNPHJI-WEMUOSSPSA-O 451.530 4.771 50 10 JJGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NC2CCCC2)ccc1Cl 102847905 TZJKYCXVKYJFEY-LGMDPLHJSA-N 462.937 4.723 50 10 JJGE CC(C)(C)[C@@H](CCBr)NS(=O)(=O)c1cc(Br)ccc1Br 231187794 IFSWNWJFCFYEFB-GFCCVEGCSA-N 492.071 4.690 50 10 JJGE O=C(N[C@@H]1CCCC[C@@H]1CBr)c1cc(Br)sc1Br 231607891 LBQYFZALSRTQCE-VXNVDRBHSA-N 460.029 4.957 50 10 JJGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3c(O)ccc4ccccc34)cc2)cc1 254838211 KGYZQSAYRNWCCF-UHFFFAOYSA-N 489.553 4.509 50 10 JJGE Cc1cc(F)ccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382722437 OCGCCFAGJJAKJI-APWZRJJASA-N 453.295 4.921 50 10 JJGE CN(C[C@H]1CCC[C@H]1Cl)C(=O)c1ccc(I)c(Br)c1 721510432 NTMRFTLFTXPZSZ-ZYHUDNBSSA-N 456.549 4.533 50 10 JJGE CSc1ccc(NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1 853447298 DVOKASVLDHYVMU-BAOGPQIGSA-N 485.569 4.663 50 10 JJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1ccccc1 1083956098 LROKRECWRRIFIO-UHFFFAOYSA-N 462.141 4.894 50 10 JJGE CCN(CC)c1ccc(C=NNC(=O)CCCSc2nc3ccc([N+](=O)[O-])cc3s2)c(O)c1 1084212129 GHJVJIHDSRRMDP-UHFFFAOYSA-N 487.607 4.779 50 10 JJGE COc1cc(C=NNC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 1084355477 BWQXPHVVBMZWAN-UHFFFAOYSA-N 486.355 4.978 50 10 JJGE Nc1c(Br)cc(C(=O)NN=Cc2cc(Cl)cc(Cl)c2O)cc1Br 1088645222 UXZHJFUHXWZMRX-UHFFFAOYSA-N 481.959 4.570 50 10 JJGE C=CCOc1ccc(CNC(=O)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 1248612246 SSACAJSMUHJEHO-UHFFFAOYSA-N 452.514 4.611 50 10 JJGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865691755 AERQUYXLNHCYGC-QFIPXVFZSA-N 464.953 4.773 50 10 JJGE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2O)c1 1865696522 OQCWTVHPFDHUJI-OAQYLSRUSA-N 465.351 4.543 50 10 JJGE COc1ccc([C@H](Br)c2c(Br)c(C)nn2C)c(Br)c1 1877177115 WIQUWMONANRIIJ-LBPRGKRZSA-N 452.972 4.746 50 10 JJGE C[C@@H](N)Cc1cc(Br)c(OCC2CC(Br)C2)c(Br)c1 1887907373 FQAILLCPXCLVNJ-MFAVDMRSSA-N 456.016 4.654 50 10 JJGE Clc1ccc(CO[C@@H]2CCC[C@@H]2I)c(I)c1 1901605801 RJVLHMOZDWEEJS-CMPLNLGQSA-N 462.496 4.817 50 10 JJGE O=C(NCC[C@@H]1CCC[C@@H]1Br)c1cc(Br)c(Br)s1 1913722719 ZPYRKIBKJCOVHO-YUMQZZPRSA-N 460.029 4.957 50 10 JJGE CC1(C)C[C@@H](CNCCSSCCNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1 1985350465 QNBMZLGBELIAJG-INIZCTEOSA-N 463.710 4.518 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H](Br)CC12CCC2 2038057876 CNPROLLBQRSEKE-SSDOTTSWSA-N 458.013 4.805 50 10 JJGE Cc1cc(Br)c(CCl)c(-n2ccnc2CCN2C(=O)c3ccccc3C2=O)c1 2053203539 ROVNOIMTIQYFCH-UHFFFAOYSA-N 458.743 4.521 50 10 JJGE O=C(N[C@H]1CC[C@H](CBr)CC1)c1cc(Br)sc1Br 2054667710 TWYKCRRWFCSXCV-ZKCHVHJHSA-N 460.029 4.957 50 10 JJGE C[C@@](CI)(OCCOCCOCc1ccccc1)c1ccccc1F 2056733236 CLSIOKALNHSZIO-FQEVSTJZSA-N 458.311 4.726 50 10 JJGE CCC(CC)[C@H](Cl)CNC(=O)c1ccc(Br)cc1I 2142285855 VPJGGWVJQDHOMJ-GFCCVEGCSA-N 458.565 4.827 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2CCC[C@@H](Cl)[C@H]2C1 2150969675 GOTUAHPICWPFBS-GMXVVIOVSA-N 468.560 4.533 50 10 JJGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)c(Cl)c1 2179776527 VLZCABYVWSAULA-SFHVURJKSA-N 471.848 4.520 50 10 JJGE CO[C@H]1C[C@H](Oc2c(Br)cc(Br)cc2CBr)C[C@H]1OC 2187172922 SKLRIVHUQMKNFT-UOJUARBOSA-N 472.999 4.678 50 10 JJGE Cc1cc(CN(C)S(=O)(=O)c2csc(CBr)c2)sc1Br 2202303176 AIEFHARLNUUHCD-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE CCS(=O)(=O)C[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2220158791 XIHSVYPHMIRFDD-JTQLQIEISA-N 463.029 4.699 50 10 JJGE C[C@@H](Cl)c1nc2cc(Br)cnc2n1C[C@@H]1CC1(Br)Br 2224803881 IKIIEKXBTUZHJU-RQJHMYQMSA-N 472.406 5.000 50 10 JJGE CC(C)(C)OC(=O)N[C@H]1CCN(CCCCCI)[C@@H](C(F)(F)F)C1 2247410761 IIXKEWOEZKVLDG-QWHCGFSZSA-N 464.310 4.512 50 10 JJGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(C)cc3)C2=O)cc1 2293039246 SHHHDWGMZPYKMV-QHCPKHFHSA-N 457.555 4.639 50 10 JJGE C[C@H](NC(=O)Cc1cc(Br)cc(Br)c1)[C@@H]1CCC[C@H]1Br 2295308859 BNIXIUMARUEYNU-QCZZGDTMSA-N 468.027 4.822 50 10 JJGE CC1CC(CBr)(N(C)C(=O)Cc2cc(Br)cc(Br)c2)C1 2295312960 DCQUWHHOCPJXHN-UHFFFAOYSA-N 468.027 4.776 50 10 JJGE COc1ccc(C=CC(=O)Oc2ccc(C=NNC(=O)c3cccc(Br)c3)cc2)cc1 2297498637 RBLYNLXZWYTCCE-UHFFFAOYSA-N 479.330 4.840 50 10 JJGE CC[C@H]1CN(Cc2ccc(I)c(Br)c2)C[C@@H]1Br 2306226318 YQBVADBEGUCUBW-JQWIXIFHSA-N 472.990 4.659 50 10 JJGE C=CCc1cc(C=C(C#N)C(=O)N(C)C)cc(OC)c1OCc1ccc(Br)cc1 2313567906 PJHSSNVNUCDEEG-UHFFFAOYSA-N 455.352 4.760 50 10 JJGE CCOC(=O)COc1cc(Br)c(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1OCC 2313568840 XRPUCAJJAARRBK-UHFFFAOYSA-N 487.350 4.644 50 10 JJGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@@H]1CN(CCCCCI)C2 2320885243 SCLPUYPLUWYECU-PBHICJAKSA-N 472.358 4.606 50 10 JJGE C[C@H]1C[C@@H](Br)[C@H](C)CN1C(=O)c1ccc(Cl)cc1I 2340061933 SUVGRASGLZCQRF-VDDIYKPWSA-N 456.549 4.579 50 10 JJGE ClCC(CCl)(Cc1ncc(I)cn1)c1ccc(Br)cc1 2381296269 RWEFNGAXJDTRGS-UHFFFAOYSA-N 485.978 4.802 50 10 JJGE Cc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1C 10153178 GCEIXCJLZVNLQF-QGZVFWFLSA-N 477.399 4.719 50 10 JJGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)cc1Cl 14649760 VXXVFBUZGHDREX-UHFFFAOYSA-N 490.181 4.775 50 10 JJGE Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3cccc(OCc4cscn4)c3)cc2)cc1 23417548 NEMJJTDQLXVCDX-UHFFFAOYSA-N 479.583 4.620 50 10 JJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O 38606626 QSBFACMTDDUEAE-HYARGMPZSA-N 494.975 4.946 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1 38650385 QECLBVJDQBHDKZ-RUZDIDTESA-N 476.916 4.860 50 10 JJGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1 38700434 GFKGJHWNGNJRSI-VWLOTQADSA-N 464.477 4.793 50 10 JJGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1 40882650 FZKXYTMVIKDFDQ-XDJHFCHBSA-N 480.546 4.508 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C)cc2)c(OC)c1 40989991 YILCEKGOFWCQAH-LTGZKZEYSA-N 450.535 4.592 50 10 JJGE COc1c(Br)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1Br 59680317 KJCSCTLEEROANI-AWQFTUOYSA-N 452.102 4.730 50 10 JJGE Cc1noc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C\c3ccc(C(C)C)cc3)cc2)c1C 206249695 HLBHCOLWZHTYQW-MOSHPQCFSA-N 464.547 4.761 50 10 JJGE CCc1cc(COc2c(Br)cc(CBr)cc2Br)n(C)n1 234173590 UXEZIBQHOBPCOP-UHFFFAOYSA-N 466.999 4.981 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3OC)n2-c2ccc(C)cc2)cc1 254312437 LUFOWIJUXDSGSP-UHFFFAOYSA-N 487.585 4.502 50 10 JJGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccccc2F)cc1 254589618 LANRVNRRCFNTOP-GMYZUSBHSA-N 458.537 4.593 50 10 JJGE O=C(CBr)c1cc(C(F)(F)F)c(C(F)(F)F)cc1I 514266689 LYYVXYDMXDHVCD-UHFFFAOYSA-N 460.937 4.906 50 10 JJGE C[C@H]1CC[C@@H](CBr)CN1c1ncc(C(F)(F)F)cc1I 686107514 VARFIQSSCSLPGJ-IUCAKERBSA-N 463.079 4.705 50 10 JJGE C[C@@H]1C[C@H](Br)CCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 705601381 XTVMLVVFSHYQHX-HTQZYQBOSA-N 466.022 4.692 50 10 JJGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(F)cc1 725380057 OBXADLOYHPUPIT-QHCPKHFHSA-N 450.510 4.767 50 10 JJGE COc1ccc(-c2cnc(CCC(=O)NNc3ccc(Br)cc3Cl)o2)cc1 729276512 GUEATMJINMOZTC-UHFFFAOYSA-N 450.720 4.842 50 10 JJGE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)c3ccc(F)cc3)cc2OC)c1 732576985 HXHUQZUIABRFRB-GRSHGNNSSA-N 461.445 4.861 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)c(-c2ccccc2)n1 918587724 HHLVZGCIVDYQMY-QNGOZBTKSA-N 499.521 4.770 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccccc2OCc2cccc(F)c2)cc1 1084636165 UEZMVURJARUZJZ-XMMPIXPASA-N 450.510 4.767 50 10 JJGE N#CC1=NN(c2ccccc2)[C@@H](c2ccccc2)C2=C1OC(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])cc1 1088670208 OGXLMZAMDHFHEG-ZCYQVOJMSA-N 474.480 4.798 50 10 JJGE C#CCCCC(=O)NNC(=O)Nc1nc(C2CC2)c(Cc2cccc(C(F)(F)F)c2)s1 1217906476 YZWKZHYEYVSYBW-UHFFFAOYSA-N 450.486 4.586 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccccc2)C(C#N)=C(N)O3)cc1 1865680460 LQMZSZSINQRLFF-HSZRJFAPSA-N 452.489 4.964 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc1OC 1865694791 BSTDNFFKBVLPML-QHCPKHFHSA-N 474.561 4.840 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)ccc1O 1865706276 RYAXXDMMJFNGOF-DEOSSOPVSA-N 464.525 4.839 50 10 JJGE CCC[C@@H](NC(=O)[C@H](c1ccc(OC)c(OC)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866983239 QSMSXIDBYCIQEP-OFNKIYASSA-N 469.607 4.940 50 10 JJGE Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)nn1-c1ccccc1F 1867172378 CKRGDMSFKMHGKF-QHCPKHFHSA-N 499.571 4.873 50 10 JJGE COc1cc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OCc1ccc(C)cc1 1873792804 MZKJUFYTYQEZIN-HGQHNSGJSA-N 469.582 4.582 50 10 JJGE CC1(C)[C@@H](Cl)CCCN1C(=O)c1cc(Br)ccc1I 1887606116 AQTBOVKSHFBHFW-LBPRGKRZSA-N 456.549 4.676 50 10 JJGE CC(N)=C(C#N)C(=O)CSC1=NC(=Cc2ccc(C(C)C)cc2)C(=O)N1c1ccc(C)cc1 2040420130 SSJXGNRWJVKUAZ-UHFFFAOYSA-N 458.587 4.921 50 10 JJGE O=C(Nc1ccc(I)cc1Br)[C@@H](Br)C1CCCC1 2048139125 HHACJKMWMPZIFH-LBPRGKRZSA-N 486.973 4.946 50 10 JJGE COC[C@]12C[C@]([C@H](Br)c3sc(Br)cc3Br)(CO1)C2 2085225339 BRRBDLWCMXXCRX-IJLUTSLNSA-N 461.013 4.905 50 10 JJGE CC(C)(C)[C@@H](CBr)CNC(=O)c1ccc(I)c(Cl)c1 2090199726 TYKKGNCASXXXRN-JTQLQIEISA-N 458.565 4.732 50 10 JJGE COC[C@H](C)OC[C@H](Br)CCc1ccc(Br)cc1Br 2099441052 HBYICCGCAUSSEP-GXFFZTMASA-N 459.016 4.959 50 10 JJGE COc1c(Br)cc(C)cc1[C@H](Br)c1c(Br)cnn1C 2139011782 UHYCZDWNNISLNN-NSHDSACASA-N 452.972 4.746 50 10 JJGE Cc1cc(CCl)cc(S(=O)(=O)N(Cc2ccccc2)C[C@H]2CCCO2)c1Br 2152215553 UOIAZFYBNZWHDY-GOSISDBHSA-N 472.832 4.866 50 10 JJGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(Br)c1 2212710756 YYOMCCGCYLPCEL-GFCCVEGCSA-N 465.182 4.563 50 10 JJGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 2227669810 HRSDYFHQJQVPGU-CYBMUJFWSA-N 452.292 4.560 50 10 JJGE CN(C(=O)c1ccc(Cl)c(I)c1)C1(CBr)CCCC1 2268344130 YYYMPYFWQQEZOH-UHFFFAOYSA-N 456.549 4.724 50 10 JJGE COc1cccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)c1 2294156109 OMWNZALRECYKAJ-UHFFFAOYSA-N 458.470 4.527 50 10 JJGE O=C1NC(=S)N(c2cccc3ccccc23)C(=O)C1=Cc1ccc(N(CCCl)CCCl)cc1 2297459191 AFDHBOYVJQCRCZ-UHFFFAOYSA-N 498.435 4.955 50 10 JJGE Cc1cc(Br)cc(C(=O)N[C@H](CCBr)COCc2ccccc2)c1 2303545710 WCXCCHLYIQSMAB-GOSISDBHSA-N 455.190 4.858 50 10 JJGE COc1ccc(CN2C(=O)C(=Cc3ccc(-c4ccc(C(C)=O)cc4)o3)C(C)=C(C#N)C2=O)cc1 2314616486 BWYZEJVGTQXUIR-UHFFFAOYSA-N 466.493 4.950 50 10 JJGE Brc1cc(CN2C[C@H]3C[C@@H](Br)C[C@H]3C2)ccc1I 2325234133 UQYJFKNMOMDHAE-ZSBIGDGJSA-N 485.001 4.659 50 10 JJGE CC(C)[C@@H](Cl)C(C)(C)NC(=O)c1ccc(Br)cc1I 2340396936 XKDUSJDDSVLUBN-GFCCVEGCSA-N 458.565 4.826 50 10 JJGE Clc1ccc(CN2C[C@@H]3CC[C@@H](Br)C[C@H]3C2)c(I)c1 2341027003 GKWDEOXDVCJYHD-WCFLWFBJSA-N 454.577 4.940 50 10 JJGE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCCN(C[C@@]2(CBr)CC2(F)F)C1 2379984805 DFTUDVPWLABUHN-MDZRGWNJSA-N 451.396 4.908 50 10 JJGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3cccc(C)c3)nc3c(C)cccn3c2=O)cc1 2428150 SHWHLPJUAXASDT-CYVLTUHYSA-N 466.497 4.658 50 10 JJGE CC(=O)c1cccc(NC(=O)COC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1 11458892 FGDXPVULQNFIPL-CIAFOILYSA-N 459.477 4.525 50 10 JJGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1ccc(Br)cc1 12583672 HVTSLVANYFDFET-UFWORHAWSA-N 490.977 4.503 50 10 JJGE O=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 14028018 AZBPVXDTJQWOIQ-OBGWFSINSA-N 481.577 4.768 50 10 JJGE CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)c1C 24001456 AZSZDCKJMBAVFI-ACRNLXFHSA-N 461.518 4.941 50 10 JJGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1I 34887906 ZKYRWKYFKFIXAW-JYRVWZFOSA-N 452.679 4.889 50 10 JJGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1 35239789 UUJSVZSDTDNHAW-JWGURIENSA-N 471.538 4.696 50 10 JJGE CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(Cc4ccc(OC)cc4)C(=O)C(C#N)=C3C)o2)cc1 38608563 BCAIYNWEOQAWFC-BUVRLJJBSA-N 496.519 4.924 50 10 JJGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc21 38681517 VHHOATTZKDXREM-DEOSSOPVSA-N 471.469 4.821 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3)c(OC)c2)cc1 58892674 HRGNRQGLHSEJRR-IVRBHCBNSA-N 462.546 4.637 50 10 JJGE CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C)c(C)c1 101240750 JSZAXAUDEBWDPQ-YQPBSLOJSA-N 460.386 4.783 50 10 JJGE O=S(=O)(NC[C@H]1CCCC[C@@H]1CBr)c1ccc(Br)cc1Cl 136740909 YZQZKSAXCFPFSE-GHMZBOCLSA-N 459.631 4.582 50 10 JJGE CCOc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1 382728246 SBHVNOFTUZEFHQ-ICSRJNTNSA-N 465.331 4.873 50 10 JJGE Cc1cc(C)cc(NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1 853447613 IEJJHWYZTGXTLD-INKLHFNDSA-N 467.529 4.558 50 10 JJGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CSCc3ccc(OC)cc3)o2)cc1 1084282513 JPTYBZAERWGALR-UHFFFAOYSA-N 452.532 4.515 50 10 JJGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865686605 YFAKATBIHLLDDR-OAQYLSRUSA-N 455.905 4.814 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1OCC 1865689611 UGBMYQQCZDHYLX-QHCPKHFHSA-N 464.953 4.909 50 10 JJGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccccn1 1865690782 BAHHLTRIDVLAIT-DEOSSOPVSA-N 477.524 4.726 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccc2c(c1)OCCO2 1865698474 UWEXNNQCCYEODQ-DEOSSOPVSA-N 480.499 4.727 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)ccc1O 1865705937 JVLAESVWGNXLIT-QHCPKHFHSA-N 450.498 4.531 50 10 JJGE CCOC(=O)c1c(NC(=O)CBr)sc(C)c1-c1ccc(Br)cc1 1866000472 PUXKHAAHVJKPML-UHFFFAOYSA-N 461.175 4.996 50 10 JJGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4ccncc4)C3)nc(-c3cccnc3)n2)cc1 1868565912 PRANELGDBXOWRE-QFIPXVFZSA-N 467.558 4.828 50 10 JJGE ClCCc1nc2cc(I)ccc2n1C[C@H]1C[C@@H](Br)C1 1887924032 MEBHGFSYSGKUKE-AOOOYVTPSA-N 453.549 4.596 50 10 JJGE O=C(NCC[C@@H]1CCC[C@@H]1Br)c1scc(Br)c1Br 1913750941 GZGFXMBSUNPALS-YUMQZZPRSA-N 460.029 4.957 50 10 JJGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)CCCOCc1ccccc1 1915101149 PHJPXOKRLOISNY-IBGZPJMESA-N 454.430 4.599 50 10 JJGE CC(C)C(CBr)(CBr)Cc1nn(C)c(Cl)c1Br 1947495603 FUNUFBZOCNRHSW-UHFFFAOYSA-N 451.428 4.811 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNc1ccc(I)cc1[N+](=O)[O-] 2061267809 JKIWNYCQVQSDRI-UHFFFAOYSA-N 499.396 4.517 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H]2CC[C@@]2(CBr)C1 2078144324 AJKWYIHNFQZVAR-JMCQJSRRSA-N 458.013 4.520 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CCCCC[C@H]1CBr 2092339149 AVPNGOWAYMKZLI-JTQLQIEISA-N 454.000 4.991 50 10 JJGE CC1CC(CCl)(N(C)C(=O)c2cc(Br)ccc2I)C1 2108305681 CHFDTVWMMOUAJF-UHFFFAOYSA-N 456.549 4.533 50 10 JJGE CC1(C)C[C@@H](CBr)CN1C(=O)c1cc(Br)ccc1Br 2127823066 CMBWHLKTOIOMTN-VIFPVBQESA-N 454.000 4.847 50 10 JJGE O=S(=O)(c1cc(CCl)ccc1Br)N(Cc1ccccc1)CC1CCOCC1 2152170004 QSLNTQHSTBKJPV-UHFFFAOYSA-N 472.832 4.805 50 10 JJGE Fc1cc2c(cc1Br)nc(CCl)n2C[C@H]1COCCN1Cc1ccccc1 2194648882 KAEHWZSCXFCQRM-HNNXBMFYSA-N 452.755 4.578 50 10 JJGE CCN(C(=O)c1c(Br)cccc1Br)[C@H]1CCC[C@@H]1Br 2224422275 YDDHZQIXBKPTHV-CABZTGNLSA-N 454.000 4.990 50 10 JJGE Cc1ccc(C(=O)N[C@]2(CBr)CCC[C@@H](C)C2)cc1I 2232825123 DAIVOORHERGJOI-BDJLRTHQSA-N 450.158 4.673 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CCC[C@H](CCBr)C1 2268348261 NOTGCQGCBCWXNU-SNVBAGLBSA-N 456.549 4.582 50 10 JJGE O=C(N[C@]1(CBr)C[C@H]2CC[C@H]1C2)c1cc(Br)c(Br)s1 2268624593 BNDZKXJLWNJTMH-UPFKWVMWSA-N 472.040 4.957 50 10 JJGE CC(C)[C@H](CCBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277931425 GXESHEKWGDDPLM-ZDUSSCGKSA-N 456.016 4.680 50 10 JJGE Cc1cc(I)ccc1-n1c(CCl)nc2cncc(Br)c21 2283582874 PBVHKIZDLUNGKB-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE O=C(N[C@@]1(CBr)C[C@H]2CC[C@H]1C2)c1ccc(Br)cc1Br 2283932629 JTTJPKHDRUKCJG-AMJWSMQMSA-N 466.011 4.895 50 10 JJGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)ccc2OC)cc1 2314634502 AKQOKYHCAHKFML-MHZLTWQESA-N 484.508 4.549 50 10 JJGE C[C@@H]1CC[C@@](CBr)(NC(=O)c2ccc(Cl)cc2I)C1 2340055036 QUEHMZJCVAENEZ-YMTOWFKASA-N 456.549 4.628 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CC[C@H]2C[C@H](Cl)CC[C@H]21 2353895260 VDPQWJLVERDAEZ-DRCTWCGVSA-N 468.560 4.676 50 10 JJGE COC(=O)[C@H](Br)C1(OCc2c(Br)cccc2Br)CCC1 2366225121 SEZYLEBROFCILT-LBPRGKRZSA-N 470.983 4.587 50 10 JJGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@@H]1CN(C[C@H](CBr)C1CCC1)C2 2370173726 AFSYNCKVMIMTHF-FCEWJHQRSA-N 451.396 4.812 50 10 JJGE CC(C)[C@H]1C[C@@H](Br)CN1c1ncc(C(F)(F)F)cc1I 2370877547 QKWAOQAOLJWLLG-MWLCHTKSSA-N 463.079 4.703 50 10 JJGE COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OC(=O)CN1C(=O)c2ccccc2C1=O 31902373 ZJLVZGVFFPPHAT-WQRHYEAKSA-N 472.884 4.614 50 10 JJGE CCOc1cc(/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCC(C)C 38606683 FUBZPLMGLZPBHX-FYJGNVAPSA-N 454.567 4.527 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)SCc3ccccc3)cc2)cc1 59153900 LLIRKZJJWQLXFU-PTFSYIGCSA-N 468.600 4.535 50 10 JJGE Cc1cc(Oc2ccccc2)ccc1N(C(=O)CCl)[C@H](C(=O)N1CCN[C@@H](C)C1)c1cccs1 205187694 QZNZEEVDEXBNPK-DFBJGRDBSA-N 498.048 4.982 50 10 JJGE CC(=O)N(C(=O)/C(C#N)=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(N)cc1 216933850 ZZJAUSOVUIDGPU-BENRWUELSA-N 456.346 4.705 50 10 JJGE C[C@@H](NC(=O)/C(C#N)=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 216959421 YTEASGBWMGSAOZ-ARFXMCQGSA-N 450.586 4.678 50 10 JJGE CN(C)c1ccc(/C=C(/NC(=O)c2cccc(F)c2)C(=O)NN=Cc2cccc3ccccc23)cc1 252617376 KRLVKVAVQOMUTC-AHDMNUPKSA-N 480.543 4.966 50 10 JJGE COc1cc(C=NNC(=O)Cc2cccc3ccccc23)ccc1OC(=O)c1cccc(F)c1 254743218 TUEMDQMHSQDTBV-UHFFFAOYSA-N 456.473 4.900 50 10 JJGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)c(OC)c1 254876776 UBZIMXHLUBLDEW-UHFFFAOYSA-N 474.586 4.653 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cc(Cl)ccc2O)C1 382696845 LDKOVUCPAZPMCC-WMLDXEAASA-N 471.722 4.833 50 10 JJGE CC(=O)N(c1ccc(C)cc1)c1nc(C=NNC(=O)[C@H](C)Nc2nc3ccccc3s2)cs1 917544261 APVGKOIIFFFRKF-HNNXBMFYSA-N 478.603 4.697 50 10 JJGE CCN(CC)c1ccc(C=NNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 1083976514 VKCMVARUHSRFAX-UHFFFAOYSA-N 499.036 4.532 50 10 JJGE Cc1ccccc1SCC(=O)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1084091469 DFOSAXKWJUMLBD-UHFFFAOYSA-N 466.475 4.846 50 10 JJGE CC(=O)c1ccc(C(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(C(C)C)cc2)cc1C 1293481010 JAYGQZSLSSJVKD-UHFFFAOYSA-N 454.530 4.777 50 10 JJGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2)CCC3)cc1 1772743942 ONKVREUDNYNJJG-UHFFFAOYSA-N 480.904 4.718 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1865680613 PYZALUDWNQLKQD-JOCHJYFZSA-N 470.916 4.881 50 10 JJGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1ccccc1F 1865693292 MWDRYZJWYVTSBK-QFIPXVFZSA-N 462.525 4.648 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865699318 QKXRKKXUEYXDDA-JOCHJYFZSA-N 471.948 4.817 50 10 JJGE CC(C)[C@H]1C[C@H](NCCSSCCNC(=O)OC(C)(C)C)CN1C(=O)OCc1ccccc1 1903379340 LOHBLAODADNOIK-LEWJYISDSA-N 497.727 4.918 50 10 JJGE CC(C)(C)OC(=O)NCCCN(C[C@@H]1C[C@H]1Br)c1cccc(Br)c1 1910167414 NBMGEMYSMSUTLI-XJKSGUPXSA-N 462.226 4.954 50 10 JJGE CC1(C)[C@H](CBr)CCN1C(=O)c1cc(Br)c(Br)s1 2034127629 XJVOCMNKPJEPRI-ZETCQYMHSA-N 460.029 4.909 50 10 JJGE O=C1N(c2c(Br)cc(Br)cc2Br)CC1(CCl)CCl 2035959346 JLNBCRACXGCOMS-UHFFFAOYSA-N 480.809 4.785 50 10 JJGE FC(F)(F)Oc1c(I)ccc(CBr)c1Br 2054835103 WOGFKVDFPVWHPL-UHFFFAOYSA-N 459.825 4.847 50 10 JJGE FC(F)(F)Oc1ccc(CBr)c(I)c1Br 2054835121 WWIZURKIENREKF-UHFFFAOYSA-N 459.825 4.847 50 10 JJGE O=S(=O)(c1ccc(Cl)c(CBr)c1)N(Cc1ccccc1)CC(F)(F)F 2059264667 IUYIYJHMMYZOCA-UHFFFAOYSA-N 456.711 4.988 50 10 JJGE C[C@@]1(CBr)CCCN(C(=O)c2c(Br)cccc2Br)C1 2094096007 SMDNNDCYUWRHLQ-AWEZNQCLSA-N 454.000 4.849 50 10 JJGE COc1ccc([C@H](Br)c2nn(C)c(Br)c2C)cc1Br 2111926189 IKDMLOHFGYWSSJ-NSHDSACASA-N 452.972 4.746 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Br)C2 2134109593 CRLYHDKIOZPRSA-KRYIENNFSA-N 476.003 4.752 50 10 JJGE O=C(N[C@H](CCl)c1ccsc1)c1ccc(Br)cc1I 2142293056 ZSFCYVVSOINNAF-GFCCVEGCSA-N 470.557 4.825 50 10 JJGE C[C@@H]1CC[C@H](CBr)N(c2ncc(C(F)(F)F)cc2I)C1 2166924469 UTIDYJHOCDMHOO-PSASIEDQSA-N 463.079 4.705 50 10 JJGE CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)c(CBr)c1 2179794530 ICFYDDMPYKHRBX-GOSISDBHSA-N 471.848 4.520 50 10 JJGE O=S(=O)(c1ccc(OCCBr)cc1)N(Cc1ccccc1)Cc1cccs1 2179860209 OLLUIDFQWXWTJO-UHFFFAOYSA-N 466.422 4.913 50 10 JJGE Cn1nc([C@H](Br)c2c(F)cc(F)c(Br)c2F)cc1Br 2227810743 XXQVNOGPUZEHGI-JTQLQIEISA-N 462.889 4.847 50 10 JJGE O=C(Nc1ccc(Cl)cc1CBr)c1cc(I)ccc1O 2239646681 NADMXXINBJNZOS-UHFFFAOYSA-N 466.500 4.797 50 10 JJGE CC1(C)CN(C(=O)c2ccc(Cl)c(I)c2)CC[C@H]1Br 2268358465 MANBPXKRELTDAK-GFCCVEGCSA-N 456.549 4.580 50 10 JJGE CC[C@@H]1[C@H](Br)CCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2288882828 JFEXIOAPCZNMMV-LDYMZIIASA-N 466.022 4.692 50 10 JJGE C[C@@H]1CCN(Cc2ccc(I)c(Br)c2)C[C@H]1Br 2306220118 UCYXOUJOKUSEEO-BXKDBHETSA-N 472.990 4.659 50 10 JJGE CN(C)c1ccc([C@H](CNC(=O)C(C#N)=Cc2ccc(Br)cc2)N2CCCCC2)cc1 2329659935 CHGUYWONEQSDIU-DEOSSOPVSA-N 481.438 4.765 50 10 JJGE Cc1ccc(CBr)c(OCc2cn(C)nc2Br)c1Br 2352565723 XMMKNJTYCSGIDG-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1 38682626 HMHBSOLUWUMVOP-JOCHJYFZSA-N 459.483 4.754 50 10 JJGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)c1 38701057 FQMBJOOBIIACRI-SANMLTNESA-N 492.487 4.795 50 10 JJGE CCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)cc1 40812180 ZNKYYHMJYULLHZ-NHFJDJAPSA-N 460.490 4.781 50 10 JJGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cc(Cl)ccc4OC)c(C)c32)c1 40822162 YCMUVTDTSDXWAO-MTDXEUNCSA-N 481.936 4.981 50 10 JJGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC)C(=O)C(C#N)=C2C)c1 214286421 FKUTYTVKXISTCQ-UQQQWYQISA-N 496.567 4.567 50 10 JJGE COC(=O)c1cc(Br)cc(Br)c1NC(=O)CCCCBr 234547633 IAEYBLPIYGJVEL-UHFFFAOYSA-N 471.971 4.502 50 10 JJGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 254291307 KLCYYAOAEGOPQN-UHFFFAOYSA-N 471.586 4.802 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccccc2O)cc1 254417093 QDRAHJAXYHOWPX-UHFFFAOYSA-N 454.482 4.927 50 10 JJGE COc1ccc(C=NNC(=O)COc2cccc(Br)c2)cc1CSc1ccccn1 254591889 DOWIROZNUYUZSM-UHFFFAOYSA-N 486.391 4.674 50 10 JJGE C[C@@H]1CCN(C(=O)c2ccc(Br)cc2Br)C[C@@H]1CBr 700432606 PYKDSKZPVZORNE-ZJUUUORDSA-N 454.000 4.705 50 10 JJGE COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1C 727412230 CEOVZAHPFPCVMM-WFRCKYSJSA-N 495.023 4.847 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C)n1-c1ccc(F)cc1 749147651 BSYPIVDCDCZNDE-JLPGSUDCSA-N 495.558 4.889 50 10 JJGE COc1cc(C=NNC(=O)c2ccncc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084192445 MUFNGNUPMJSVFY-UHFFFAOYSA-N 460.368 4.573 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)cc1 1084347799 LPUPHUXYZQVXTC-QFIPXVFZSA-N 451.479 4.526 50 10 JJGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccs2)CCC3)cc1 1772750032 VUHABWUXZKKGJV-UHFFFAOYSA-N 465.531 4.549 50 10 JJGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cc(C)ccc2O)c1 1865687099 JJPTWNFJUIWSIT-LJQANCHMSA-N 454.452 4.799 50 10 JJGE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2Cl)cc1 1865704162 OZQJNBNKPRQVGD-KRWDZBQOSA-N 460.843 4.889 50 10 JJGE C[C@H]1[C@H](C)[C@H](NCCSSCCNC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 1903284931 UXMHZSXFNKJXOV-YESZJQIVSA-N 463.710 4.516 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@@H](Cl)CCc1cc(Cl)ccc1I 1905372343 UULDFTBSGHWNEB-ZDUSSCGKSA-N 474.125 4.781 50 10 JJGE COc1c(F)cccc1Cn1nc(CBr)c(I)c1C(F)(F)F 2079241792 SIOCUEHJTCFCPQ-UHFFFAOYSA-N 493.036 4.597 50 10 JJGE COc1cc(Cn2nc(CBr)c(I)c2C(F)(F)F)ccc1C 2079245514 GZWNTCQSNVEOJW-UHFFFAOYSA-N 489.073 4.767 50 10 JJGE CC(F)(F)C[C@H](CBr)NCc1ccc(I)c(Cl)c1 2086661298 LRBARZSMZRABCP-SECBINFHSA-N 452.508 4.843 50 10 JJGE O=S(=O)(c1cc(CCl)ccc1Br)N(Cc1ccccc1)C[C@H]1CCCO1 2095879908 SVWDUBPCONYEOH-QGZVFWFLSA-N 458.805 4.558 50 10 JJGE C[C@@H]1CC[C@@H](CBr)N(C(=O)c2c(Br)cccc2Br)C1 2110612710 PBRVWVSANOIBAY-ZJUUUORDSA-N 454.000 4.847 50 10 JJGE Cc1ccc([C@H](Br)c2cc(S(C)(=O)=O)cs2)cc1I 2224626540 JFFYFHLKSIQFFV-ZDUSSCGKSA-N 471.179 4.549 50 10 JJGE C[C@@H]1CCC[C@@](CI)(OCCOCCOCCOCc2ccccc2)C1 2227781468 XJEUDNSAQQSEJO-TZIWHRDSSA-N 476.395 4.637 50 10 JJGE CC(C)(CBr)CCCNC(=O)c1ccc(Cl)c(I)c1 2268357947 KTHRVRDKENPNLL-UHFFFAOYSA-N 458.565 4.876 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@@H]2C[C@@H](Br)CC[C@H]21 2283653803 KBSOJMRSWPGPBT-OLUVUFQESA-N 468.560 4.723 50 10 JJGE CC1(C)C[C@H](CBr)N(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295310099 SGXQISLAQYOLGJ-CYBMUJFWSA-N 468.027 4.776 50 10 JJGE CC1(C)[C@@H](CBr)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2295338131 SACAEOPULDGYFM-LLVKDONJSA-N 468.027 4.776 50 10 JJGE N#CC(=Cc1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)C(=O)Nc1ccc(Cl)cc1 2314534161 ZTWZOWYGDLNDPK-UHFFFAOYSA-N 460.852 4.825 50 10 JJGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C(C)=C(C#N)C1=O 2314618805 UQVMHSXXQQSZFY-UHFFFAOYSA-N 478.508 4.524 50 10 JJGE CCOc1ccc(C=CC(=O)Nc2cccc(C(=O)Nc3ccc(SC#N)cc3)n2)cc1OC 2320971669 DLFBYHJDABAKOA-UHFFFAOYSA-N 474.542 4.966 50 10 JJGE CC(C)[C@H]1C[C@@H](Br)CN1C(=O)c1cc(Br)c(Br)s1 2321512874 XIXHUVLKTYXJDQ-VXNVDRBHSA-N 460.029 4.907 50 10 JJGE Cc1ccccc1COc1ccc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1 2328804012 CVLMVPWEJNMKOO-UHFFFAOYSA-N 456.498 4.518 50 10 JJGE CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3cccc(F)c3)sc2c1 2329674363 ZWCSUDFEPCJMAF-UHFFFAOYSA-N 486.594 4.792 50 10 JJGE Cc1ccc(CBr)c(OCc2cnn(C)c2Br)c1Br 2352577688 JSFBTAPKPYCZCC-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE COc1ccc([C@H](CI)OCc2cccc(I)c2)cc1 2367346345 VRGGPUASZROUOA-INIZCTEOSA-N 494.110 4.993 50 10 JJGE O=C(N[C@@H]1C[C@H](CBr)C12CCC2)c1cc(Cl)ccc1I 2379720436 PDLJHIIBKRGKCG-NOZJJQNGSA-N 468.560 4.628 50 10 JJGE Cn1nc(C(F)(F)F)cc1-c1ccc(/C=C(/C#N)S(=O)(=O)c2ccc(C(F)(F)F)cn2)s1 33384613 GBZAXQMFLVWGPF-SDQBBNPISA-N 492.426 4.920 50 10 JJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCCC(C)C)c(OCC)c2)C1=O 38606611 HQJJLCNNSBYSGY-RCCKNPSSSA-N 454.567 4.529 50 10 JJGE COc1ccc(C(=O)N/N=C2\C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1OC 59146411 NOINWIKSFMVDPZ-WCTVFOPTSA-N 465.509 4.538 50 10 JJGE O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)[C@@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59202428 HVLACBITXPPOMI-MEOIJSEFSA-N 491.253 4.745 50 10 JJGE COc1cc(/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 101337413 SPINZOPSRXTYEZ-JLDPKJTDSA-N 492.959 4.699 50 10 JJGE Cc1c(C(=O)Oc2ccc(F)cc2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101615262 IZLOOXZCBNNGMD-XKJRVUDJSA-N 498.326 4.936 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CCC[C@@H](CCCl)C1 236039285 KODKUZJLZIOAMG-JTQLQIEISA-N 456.549 4.535 50 10 JJGE O=C(NN=Cc1cc2c(cc1Br)OCO2)c1cc(-c2ccccc2O)nc2ccccc12 254302666 ASZYLTPQNIUTPF-UHFFFAOYSA-N 490.313 4.863 50 10 JJGE CC(=NNC(=O)CSC1CN(C(c2ccccc2)c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 254597575 KFTOZXUMBYDPOF-UHFFFAOYSA-N 474.586 4.642 50 10 JJGE O=C(NN=Cc1ccccc1Br)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 263627215 MHLHDBGXPASVMF-UHFFFAOYSA-N 492.782 4.667 50 10 JJGE Cc1sc([C@H](Br)c2cnn(C)c2I)cc1Br 379148648 DUMDJSIYNPBQGN-SECBINFHSA-N 475.975 4.641 50 10 JJGE CC1(C)CN(C(=O)c2cc(Br)cc(Br)c2)CC[C@H]1Br 394200508 PAMOLDIDDREVCJ-GFCCVEGCSA-N 454.000 4.847 50 10 JJGE O=C(N[C@H]1CCC[C@H](CBr)C1)c1scc(Br)c1Br 705404810 FUTPCRVHDVWDOS-YUMQZZPRSA-N 460.029 4.957 50 10 JJGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)c4ccncc4)cc3[C@@H]3C=CC[C@@H]32)cc1 725414200 XXIVSKUFXLHCFT-UMFSSWHCSA-N 466.541 4.849 50 10 JJGE COCCN(Cc1ccc(C)cc1C)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 745843235 BXFMHUGNGHFNJC-UQQQWYQISA-N 467.573 4.663 50 10 JJGE CO[C@@H](C(=O)NN=Cc1cc(OCc2ccccc2)ccc1Br)c1ccccc1 1084237745 SYTMCVOVLBPZCV-JOCHJYFZSA-N 453.336 4.866 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)Nc2ccccc2Br)c(C)n1-c1ccccc1Cl 1084315418 ZXIXYNYIPZNOCD-UHFFFAOYSA-N 473.758 4.599 50 10 JJGE O=C(NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1cc(Cl)ccc1O 1084512086 JECLOFKXLIIDEB-UHFFFAOYSA-N 455.901 4.880 50 10 JJGE C#C[C@H](NC(=O)NNc1ccc(Br)cc1CC)c1ccc(Br)cc1 1470664379 ZBEZZLYHWYPORF-INIZCTEOSA-N 451.162 4.775 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](CBr)[C@H](c2ccc(Br)c([N+](=O)[O-])c2)C1 1614620369 DTXXONYMBFCOQN-RYUDHWBXSA-N 464.154 4.703 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(F)c([N+](=O)[O-])c2)C1 1614694277 IHIWPADMIRMFAR-HZPDHXFCSA-N 484.265 4.521 50 10 JJGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNc1ccc(F)cc1)CCC2 1772750829 ODQKDEJAWKCCMD-UHFFFAOYSA-N 499.340 4.717 50 10 JJGE C[C@@H]1CC[C@](CBr)(NC(=O)c2ccc(I)c(Cl)c2)C1 1880939428 ORZMHWZXEOMDHP-OTYXRUKQSA-N 456.549 4.628 50 10 JJGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1890631387 RJTWNZMAKJYWIA-CALCHBBNSA-N 483.406 4.690 50 10 JJGE Cc1c(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)c(Br)nn1C 2014540630 FIJIJUACZKVXQF-OAHLLOKOSA-N 457.210 4.553 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H](Br)[C@H](C2CC2)C1 2030211788 BYNMTDXKGFQMMX-YUMQZZPRSA-N 458.013 4.519 50 10 JJGE C[C@]12CN(C(=O)c3cc(Br)sc3Br)C[C@@]1(CBr)C2 2046799276 TYZPPDNBQARUDT-RYUDHWBXSA-N 458.013 4.520 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@H](Br)[C@H]1C1CC1 2067016641 MYZGOHVANSYKGU-GMSGAONNSA-N 458.013 4.661 50 10 JJGE CCN(C[C@](C)(CI)O[C@@H]1COC2(CCCC2)C1)C(=O)OC(C)(C)C 2069129968 YLTPWBZEOSCZJA-YJBOKZPZSA-N 467.388 4.555 50 10 JJGE Brc1cc(I)cnc1N1[C@H]2CCC[C@H](Br)[C@H]1CC2 2069533534 IXRWRUYYCZAYTQ-JBLDHEPKSA-N 485.989 4.734 50 10 JJGE O=C(N[C@@H]1CCC[C@H]1CCBr)c1c(Br)cccc1Br 2094099271 KGNSVMVVZUMIKO-JOYOIKCWSA-N 454.000 4.895 50 10 JJGE C[C@H]1CN(C(=O)c2c(Br)cccc2Br)CC[C@@H]1CBr 2109034710 USUVKORLAVIYAQ-VHSXEESVSA-N 454.000 4.705 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CCCCC[C@@H]1CCl 2142285681 SRKOTCWSWHGLNT-LLVKDONJSA-N 456.549 4.677 50 10 JJGE Cc1cccc(C(=O)NC[C@H]2CCCC[C@H](Br)C2)c1I 2163745247 GJRYPWBKYGYQRW-STQMWFEESA-N 450.158 4.673 50 10 JJGE CC(C)(C)OC(=O)N[C@H](C[S@](C)(=O)=NC(=O)[C@H](Br)C1CCCC1)C(C)(C)C 2167032095 HPSQOEWCWNBWLH-RHFKOARHSA-N 467.470 4.504 50 10 JJGE O=C(NC[C@@]1(CBr)C[C@@H]1C(F)(F)F)c1scc(Br)c1Br 2192581511 KXDLTQDFNMXXPG-WKEGUHRASA-N 499.972 4.966 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@H](Cl)C2)c1ccc(Br)cc1I 2207269058 YIPKDLCLDBSGOR-TWOBJEBXSA-N 468.560 4.580 50 10 JJGE C[C@@H](CCl)[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2207271010 FHYBNKJDBHINNR-HZMBPMFUSA-N 470.576 4.923 50 10 JJGE CC(C)c1nc(-c2ccc(I)c(F)c2)nc(O)c1CBr 2237095760 NCGGOYPMWLVHSF-UHFFFAOYSA-N 451.077 4.611 50 10 JJGE C[C@@]1(CNC(=O)c2ccc(Cl)c(I)c2)CCC[C@@H]1Br 2271302360 SZTVAPCWYOMJJZ-JSGCOSHPSA-N 456.549 4.628 50 10 JJGE COc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1I 2313567466 HZKQRFJIIQCGCR-UHFFFAOYSA-N 497.130 4.916 50 10 JJGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314445297 ONGSMVUWNHODGZ-KCITZHQASA-N 486.225 4.755 50 10 JJGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314592845 CUEAPBKFMJIRSD-VWLOTQADSA-N 483.593 4.828 50 10 JJGE CC1=C(C#N)C(=O)N(C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 2314617595 IQPBWXVNJRHCCT-UHFFFAOYSA-N 466.541 4.796 50 10 JJGE FC(F)C1(CBr)CCN(Cc2sccc2I)CC1 2316764179 JYUZFNXZKSVYHT-UHFFFAOYSA-N 450.130 4.595 50 10 JJGE FC(F)(F)[C@@H]1C[C@H](Br)CCN1Cc1sccc1I 2316764821 QLZFGVDRDQMGIJ-XCBNKYQSSA-N 454.093 4.643 50 10 JJGE CC(C)(CI)CN1CCC(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 2326669402 YXSVKGRDVXLJTE-UHFFFAOYSA-N 464.432 4.807 50 10 JJGE COc1cc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OCc1ccc(Cl)cc1 2328799925 WKKGYPRMXQMOGY-QFIPXVFZSA-N 490.000 4.927 50 10 JJGE COc1ccc(C=C(C#N)C(=O)Nc2c(Br)cc(C#N)cc2Br)cc1 2329617813 LJIGHKWZLPMOMQ-UHFFFAOYSA-N 461.113 4.638 50 10 JJGE CN(C)c1ccc2c(c1)[S@](=O)S[C@]2(c1ccccc1)c1ccc(N2CCOCC2)cc1 15776418 AFBYYCFQHHQJLE-NJHZRGNWSA-N 450.629 4.651 50 10 JJGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccccc2Cl)c1 39858622 PYNVCBWZLJUQRW-VKAVYKQESA-N 456.889 4.994 50 10 JJGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1 39993105 OYMJHZGJYVFARY-HMMYKYKNSA-N 480.524 4.966 50 10 JJGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1ccccc1 58887998 CVKJBDOWHRROQZ-RVNNHDHLSA-N 458.558 4.967 50 10 JJGE COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2OC)ccc1OCc1ccc(C(=O)O)cc1 59167465 JRFANNKGMICLCP-MUFRIFMGSA-N 484.508 4.898 50 10 JJGE O=C(N/N=C/c1c(O)ccc2ccccc12)[C@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59202473 ODHVFQMUWUHFOU-SIQOIFSASA-N 472.423 4.592 50 10 JJGE O=S(=O)(c1cc(Br)ccc1Br)N1CCC[C@H]1CCCBr 147743444 RGZNLEMFJVCNRN-LLVKDONJSA-N 490.055 4.540 50 10 JJGE O=C(NC[C@@H]1CCCC[C@H]1Br)c1cc(Cl)ccc1I 236065764 CIAOZMJOCFWKAD-JOYOIKCWSA-N 456.549 4.628 50 10 JJGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1cc([N+](=O)[O-])ccc1N1CCCCCC1 252627650 RYRMQOBLCPDLEU-UHFFFAOYSA-N 497.555 4.594 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2C[C@H](Br)CC[C@H]2C1 398749493 VIEGCIRUVCNQLD-MVWJERBFSA-N 466.011 4.847 50 10 JJGE O=C(CBr)c1cc(OC(F)(F)F)c(Br)cc1I 575691641 OKMSODKJXVYYLG-UHFFFAOYSA-N 487.835 4.530 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Br)c(Br)s2)C[C@@]1(C)CBr 703736101 QYEHWLWFHYJMIS-JMCQJSRRSA-N 460.029 4.766 50 10 JJGE CC(C)(C)c1ccc(C(=O)NNC(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 731404244 FAUTZNGLPSVLQZ-UHFFFAOYSA-N 477.436 4.900 50 10 JJGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3c(F)cccc3Cl)cc2)S(C)(=O)=O)cc1C 1084027846 UYCPICOBMGJSBB-UHFFFAOYSA-N 487.984 4.826 50 10 JJGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCC#N 1084226787 UZMWBACCDBXBEV-UHFFFAOYSA-N 462.687 4.524 50 10 JJGE CCc1cccc(CC)c1NC(=O)COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F 1858680803 NMASDNPUZISOIY-UHFFFAOYSA-N 482.468 4.882 50 10 JJGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701817 GFESDXZOUSDQSJ-HXUWFJFHSA-N 467.342 4.922 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1ccccc1C(=O)O 1865703939 JALKOTTVFOUNCO-MRXNPFEDSA-N 474.826 4.520 50 10 JJGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706224 QRBVTYJZQHZYAH-IBGZPJMESA-N 456.289 4.673 50 10 JJGE Cc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)nn1-c1ccccc1F 1867172377 CKRGDMSFKMHGKF-HSZRJFAPSA-N 499.571 4.873 50 10 JJGE COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 1872727237 IBBBVIIIWRNMKF-DEDYPNTBSA-N 453.903 4.906 50 10 JJGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1 1873793237 DYGJZOKZCXPXKP-CSLYNHGHSA-N 473.573 4.852 50 10 JJGE O=C(N[C@H](CCSC[C@H]1C[C@H]1Br)C(=O)O)OCC1c2ccccc2-c2ccccc21 1883570496 DYUBDJSGMUBHFA-XMDBHEJHSA-N 490.419 4.885 50 10 JJGE CC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CS(=O)(=O)C1 1924569518 WUPLDHRVQCFAAQ-LURJTMIESA-N 487.460 4.750 50 10 JJGE Cc1cc(Br)ccc1S(=O)(=O)N(Cc1ccccc1)C[C@@H](C)Br 1995132912 WBXAGJQJUAURLQ-CQSZACIVSA-N 461.219 4.732 50 10 JJGE O=S(=O)(c1ccc(CCBr)s1)N(CCC(F)(F)F)Cc1ccccc1 2059287040 SIDCDSCVIIQIPH-UHFFFAOYSA-N 456.349 4.829 50 10 JJGE FC(F)(F)c1cc(CBr)cc(I)c1I 2060238140 BWGJAVMHRUIBTC-UHFFFAOYSA-N 490.826 4.810 50 10 JJGE C[C@@H](Br)[C@H](NC(=O)c1cc(Br)c(Br)s1)C(F)(F)F 2074715220 DSQVQZWZWRRCMC-CVYQJGLWSA-N 473.934 4.717 50 10 JJGE COc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)cc1F 2079242775 DWFLVVDBSKGBKI-UHFFFAOYSA-N 493.036 4.597 50 10 JJGE C[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)[C@H](C)C[C@@H]1Cl 2093104398 JOAFPEPBIUVLPD-LNLATYFQSA-N 456.549 4.532 50 10 JJGE C[C@@H]1C[C@@H](Cl)CCN(C(=O)c2cc(Br)ccc2I)C1 2103287235 PBCNNISIQTYFAX-KOLCDFICSA-N 456.549 4.533 50 10 JJGE CC(C)[S@](=O)(=NC[C@@H](CBr)CC1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2126853176 VROKNMKUIWNREN-COLOXBMXSA-N 451.471 4.683 50 10 JJGE C[C@]1(CBr)CC(F)(F)CN1C(=O)c1cc(Br)cc(Br)c1 2159048057 ANHWQMJWBTZZST-GFCCVEGCSA-N 475.953 4.846 50 10 JJGE C[C@]1(CNC(=O)c2cc(Br)sc2Br)CCC[C@@H]1Br 2258808593 FQTHOPNPUGABKY-QPUJVOFHSA-N 460.029 4.957 50 10 JJGE CN(Cc1cccc(I)c1)c1nc2sccn2c1CBr 2280275743 OJPYBWJUYFVHJI-UHFFFAOYSA-N 462.154 4.532 50 10 JJGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3cccc(C)c3)nc3ccccn3c2=O)cc1 2314533333 QCWZYCAVNPNWQQ-UHFFFAOYSA-N 494.507 4.518 50 10 JJGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(OC)cc1 2314593831 UJXONRWFDVPLAJ-HXUWFJFHSA-N 488.396 4.730 50 10 JJGE CCCO[C@@H]1[C@@H](Cl)C[C@@H]1OCc1ccc(I)c(Br)c1 2350039398 LNRFJFRCDHKINP-FPMFFAJLSA-N 459.549 4.745 50 10 JJGE O=S1(=O)C[C@@H]2[C@H]([C@H](Br)c3c(F)cc(Cl)c(Br)c3Cl)[C@@H]2C1 2360424463 SRLJLACJKUGDJP-JHMDGNCFSA-N 466.981 4.622 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1C[C@@H]2CCC[C@]2(CBr)C1 2365594634 AMDSHCKZEXXAPK-BONVTDFDSA-N 468.560 4.582 50 10 JJGE CC(C)[C@H](Br)C(C)(C)CN(C)C(=O)c1cccc(I)c1 2365909385 XEBMXBRJZNAHLW-AWEZNQCLSA-N 452.174 4.809 50 10 JJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc(Cl)c(Cl)c4)c(=O)c32)c1 2226565 RFNKJBDUHMQULW-JOCHJYFZSA-N 498.366 4.747 50 10 JJGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)CCCN3C(=O)c4ccccc4C3=O)c(OC)c2)cc1 31902297 VEEFLCRRGGBGOZ-PGMHBOJBSA-N 496.519 4.750 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1OC 38659470 WRRBHLFYYCRKTL-XMMPIXPASA-N 460.461 4.670 50 10 JJGE O=C(NNc1ncnc(NCc2ccccc2Cl)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40659383 ADOUFMRMWJRDFO-UHFFFAOYSA-N 488.935 4.926 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)cc1 58893109 LPUPHUXYZQVXTC-OOEUXUOGSA-N 451.479 4.526 50 10 JJGE COCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2csc(Nc3ccc(OC)cc3)n2)c1C 96447591 UPHZKXLUEQTISC-UNOMPAQXSA-N 466.563 4.610 50 10 JJGE CCCOc1c(Br)cc(/C=C(/C#N)c2nc3ccccc3c(=O)[nH]2)cc1OCC 169939634 KQKASRWNICMORW-GDNBJRDFSA-N 454.324 4.937 50 10 JJGE C=CCc1cccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccccc2)c1O 252612396 ISAURCUQWCMMBT-UHFFFAOYSA-N 456.571 4.761 50 10 JJGE CC(=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 263632108 CRQRCCBJQNDOOR-UHFFFAOYSA-N 486.557 4.783 50 10 JJGE O=S(=O)(Nc1cc(I)ccc1Br)c1cccc(CCl)c1 394414442 SJZBTALMUXHAOC-UHFFFAOYSA-N 486.556 4.593 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CCC(F)(F)[C@H](CBr)C1 403979550 PGVSQVGCXDFFNY-MRVPVSSYSA-N 475.953 4.704 50 10 JJGE C[C@H]1CCN(c2ncc(C(F)(F)F)cc2I)C[C@H]1CBr 686114451 PEYDXTCKRAHMLU-DTWKUNHWSA-N 463.079 4.562 50 10 JJGE BrCc1ccc(N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 705934347 PBRLZRDPAFGGBK-QZTJIDSGSA-N 450.218 4.912 50 10 JJGE C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1 920745149 HSVNLQGYMPHCIM-QQKHVDERSA-N 479.028 4.507 50 10 JJGE CCCCS(=O)(=O)c1ccc(Cl)cc1NC(=O)NN(C(=O)c1ccccc1)C(C)(C)C 1088717868 XUUCOELLCKNZQE-UHFFFAOYSA-N 466.003 4.891 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865701198 OTSJPRFYLGABJP-DEOSSOPVSA-N 494.551 4.842 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 1865708646 BSOYJHOPXHMPPW-FQEVSTJZSA-N 493.361 4.592 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 1873795153 UKVSCGFLMVVRAW-WNFNFYEPSA-N 457.958 4.769 50 10 JJGE CC(C)(CI)CN(OCc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 1893383071 WQJKLILGSDMBST-UHFFFAOYSA-N 474.383 4.501 50 10 JJGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OCCCl)cc1)Cc1ccccc1 2034750802 MDTVBLQUSFLPGE-UHFFFAOYSA-N 473.038 4.627 50 10 JJGE Cc1cccc(Cn2nc(CBr)c(I)c2C(F)(F)F)c1 2079242994 KILPLOQGKVATBI-UHFFFAOYSA-N 459.047 4.758 50 10 JJGE C[C@@H]1CC[C@@H](CCl)N(C(=O)c2ccc(I)c(Br)c2)C1 2110600547 VAOJMGSRWJNYEY-KOLCDFICSA-N 456.549 4.533 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NC[C@H](CBr)CC2CC2)C1(C)C 2112868650 LTLVNTMEHHTFHA-JUYBDXISSA-N 451.471 4.589 50 10 JJGE Cc1sc(CBr)cc1S(=O)(=O)N(C)[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2179821436 KNJXQEQWYUBNKV-KRWDZBQOSA-N 471.486 4.625 50 10 JJGE CC(C)(C)OC(=O)N1CCN(C[C@H](CBr)c2ccccc2)C[C@H]1C(F)(F)F 2186713932 ARUMJSHMVQNSKO-HOTGVXAUSA-N 451.327 4.649 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1ccc(Br)cc1Br 2204561718 GWMUIKWNVOIQQC-TWOBJEBXSA-N 466.011 4.894 50 10 JJGE Cc1ccc(C(=O)NC[C@@H]2CCCC[C@H]2CBr)cc1I 2232826122 IUGAVHXYSBNIKY-KBPBESRZSA-N 450.158 4.531 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CCC[C@@H](CBr)CC1 2268341509 DULIUPONCCVAIP-SNVBAGLBSA-N 456.549 4.582 50 10 JJGE C[C@@]1(CNC(=O)c2ccc(Cl)c(I)c2)CCC[C@H]1Br 2271302361 SZTVAPCWYOMJJZ-OCCSQVGLSA-N 456.549 4.628 50 10 JJGE FC1(F)[C@@H]2COC[C@@]21[C@H](Br)Cc1cc(Br)cc(Br)c1 2277954459 XEPSSGWSCHAEOK-UTUOFQBUSA-N 460.938 4.799 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CCC2(CC1)C[C@@H]2CBr 2283653704 JFISTVGUMHTQTA-LLVKDONJSA-N 468.560 4.582 50 10 JJGE COc1cc(C=C(C#N)c2nc(CSc3nc4ccc([N+](=O)[O-])cc4[nH]3)cs2)ccc1O 2296623827 YYQJMMFTXQOYAI-UHFFFAOYSA-N 465.516 4.998 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1cccc(C)c1 2313567871 MRQNDINRQVCTSV-UHFFFAOYSA-N 490.341 4.573 50 10 JJGE CCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)OCC)cc2OC)cc1OC 2314728963 QZPJRLJQSWPKMK-UHFFFAOYSA-N 465.502 4.581 50 10 JJGE COc1ccc(OCCCC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 2326840127 UHHGJDZJGIHGGS-UHFFFAOYSA-N 477.948 4.575 50 10 JJGE COc1ccc(C)cc1[C@@H](Br)c1c(Br)c(Br)nn1C 2338722729 PRCKPRPBFARROC-SNVBAGLBSA-N 452.972 4.746 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CCC2(CC1)C[C@@H]2CBr 2365591715 IEECVVNRGHXMGO-SNVBAGLBSA-N 468.560 4.582 50 10 JJGE O=C(CCC(=O)Nc1ccc(Br)cc1)N/N=C/c1ccccc1OCc1ccccc1 20522838 LKBQURKLOVSJBQ-WGOQTCKBSA-N 480.362 4.897 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@@H]1c1cccs1 38656219 CFRHTVCAVOODRB-NRFANRHFSA-N 483.343 4.713 50 10 JJGE Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3C)nc3ccccn3c2=O)c1 39993157 SRQOKQAJZMNVIM-HMMYKYKNSA-N 450.498 4.958 50 10 JJGE Cc1cc(C)cc(Oc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])c1 40582804 ZOZFZPFXVLRZGH-UHFFFAOYSA-N 478.292 4.623 50 10 JJGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 40826357 FQJHPPWGIQTHNG-IXNGNONCSA-N 475.520 4.885 50 10 JJGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccncc5)c(C)c43)coc2c1C 40826634 OZAJNTLKHDEXFT-MWAVMZGNSA-N 470.529 4.998 50 10 JJGE CCOc1cc(/C=C(/C#N)S(=O)(=O)c2ccc(F)cc2)cc(Br)c1OCC 96792444 HLZKCALYRRHHFI-SXGWCWSVSA-N 454.317 4.724 50 10 JJGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)C1=O 101334338 CATTZHPFHBXEKX-QIWJOQEQSA-N 481.512 4.838 50 10 JJGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)cc1 214205025 FKGODIAROUFVQS-HMAPJEAMSA-N 454.555 4.873 50 10 JJGE COCCOCCCOc1c(Br)cc(CBr)cc1Br 234843263 RGXGQFSIUCPHML-UHFFFAOYSA-N 460.988 4.538 50 10 JJGE O=C(NC[C@H]1CCCC[C@@H]1CCl)c1cc(Br)ccc1I 236012771 AOABWIFFBDDANJ-GHMZBOCLSA-N 470.576 4.829 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)NCc2cccc(CN3CCCC3=O)c2)c(C)n1-c1ccc(F)cc1 915180416 FNUJQWLTYPRMLH-BUVRLJJBSA-N 470.548 4.579 50 10 JJGE C=CCc1cccc(C=NNC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)c1O 1084232549 QYLGOQHTYLSJTM-UHFFFAOYSA-N 497.624 4.729 50 10 JJGE CCOc1cc(C=NNC(=O)c2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 1084623915 ZHDQBIIMJFHPHS-UHFFFAOYSA-N 472.950 4.579 50 10 JJGE CC(=NNC(=O)CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccncc1 1084633177 URVGOKBIVRPQOZ-UHFFFAOYSA-N 484.629 4.860 50 10 JJGE CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c1C(C)C 1586973386 JDACOGXLTQNAOZ-UHFFFAOYSA-N 454.354 4.576 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(OCC)c1)C(C#N)=C(N)O2 1865681036 CWGNMTSXONCSEX-NRFANRHFSA-N 495.377 4.910 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc(OC)c1OC 1865692283 KVAFJWKOQZNGSN-XMMPIXPASA-N 494.551 4.842 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1OC 1865695138 KZDUVONTICTUAU-RUZDIDTESA-N 452.514 4.959 50 10 JJGE Cc1sc(C)c(S(=O)(=O)N(C)C[C@@H](Cl)COCc2ccccc2)c1Br 1916334663 IYWGBGOFLRVCBN-OAHLLOKOSA-N 466.850 4.572 50 10 JJGE CC1(C)CC[C@@H](Br)[C@@H](CNC(=O)c2csc(I)c2)C1 1927042116 MAHZVBOFJZOERD-GHMZBOCLSA-N 456.187 4.672 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC1CCC2(CC1)C[C@H]2CNC(=O)OC(C)(C)C 2061264872 DAXVSQUVKBHOSN-VVESCEMWSA-N 489.748 4.956 50 10 JJGE O=C(c1csc(Br)c1Br)N1CC[C@H](CBr)C12CC2 2070145666 CHTQJHOHWVCASC-SSDOTTSWSA-N 458.013 4.663 50 10 JJGE C[C@@]12CC[C@@](CBr)(C1)N(c1ncc(I)cc1Br)C2 2078776371 KXLSPGLSBSMECA-OLZOCXBDSA-N 485.989 4.593 50 10 JJGE CC1(C)CO[C@H](CBr)CN1Cc1ccc(Br)cc1Br 2111240114 ZPHCPZHMRDRGFD-GFCCVEGCSA-N 456.016 4.586 50 10 JJGE Fc1cc2c(cc1I)nc(CCCl)n2Cc1nccn1Cc1ccccc1 2146213340 DNDSJWDBMWXMSQ-UHFFFAOYSA-N 494.739 4.854 50 10 JJGE ClCCc1nc2cncc(Br)c2n1[C@@H]1CCOC[C@H]1OCc1ccccc1 2151794109 VTRTZXBMDNLCBA-QZTJIDSGSA-N 450.764 4.522 50 10 JJGE O=C(NC1(CCl)CC2(CCC2)C1)c1cc(I)ccc1Br 2163546257 CEOSXHPEQPGJTP-UHFFFAOYSA-N 468.560 4.725 50 10 JJGE CC1(C)OCCO[C@@H]1[C@H](Br)c1cc(Br)c(Br)cc1F 2225616181 CZVUZLIFSZEIHV-VXGBXAGGSA-N 460.963 4.981 50 10 JJGE C[C@H]1CC[C@@](CBr)(NC(=O)c2ccc(Cl)c(I)c2)C1 2268351525 LRCFQDKWRYKSAN-LKFCYVNXSA-N 456.549 4.628 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@@H](CBr)C1CCC1 2295307428 JMTCLAXWEZZNGI-GFCCVEGCSA-N 468.027 4.682 50 10 JJGE N#CC(=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)C(=O)NC[C@H]1CCCO1 2314476960 YUOZRNJLYLHSKX-PPXQLYMYSA-N 456.590 4.542 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1c(O)ccc2cc(Br)ccc12 2328821167 WUHJICZYTHKHLW-DJJJIMSYSA-N 478.387 4.697 50 10 JJGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1c(O)ccc2cc(Br)ccc12 2328824667 OMKIOIUWKVRKSL-SFHVURJKSA-N 478.387 4.697 50 10 JJGE C=CC[C@@H](Br)[C@H]1CCN1C(=O)c1ccc(Br)cc1Br 2335810305 LYDWRCOWQQMKJZ-DGCLKSJQSA-N 451.984 4.766 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CCC[C@H](CCBr)CC1 2365593811 WQNNMVQTRVANLW-LLVKDONJSA-N 470.576 4.972 50 10 JJGE CC(C)[C@@H](Br)C(C)(C)CN(C)C(=O)c1cccc(I)c1 2365909386 XEBMXBRJZNAHLW-CQSZACIVSA-N 452.174 4.809 50 10 JJGE C/C(N)=C(/C#N)C(=O)CSc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1 9562858 YKYCPNBPFKFJDP-BMRADRMJSA-N 492.655 4.646 50 10 JJGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)c1sc2ccccc2c1Cl 13977958 NJIOZAMNMNIZIO-UHFFFAOYSA-N 474.163 4.811 50 10 JJGE CC(C)COc1ccc(C(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1 14653117 GJDRSBMTUPQHLO-UHFFFAOYSA-N 463.372 4.594 50 10 JJGE COc1ccc(N(C(=O)CCl)[C@@H](C(=O)NC2CCCCC2)c2cccnc2)cc1Cl 34847500 DHDPBDIJJRPQBH-OAQYLSRUSA-N 450.366 4.506 50 10 JJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1 38658275 CPRDBFIJSRVXNG-MHZLTWQESA-N 468.509 4.626 50 10 JJGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Nc1cc(Cl)cc(Cl)c1 40701066 TVVVIOITLAHMKT-UHFFFAOYSA-N 468.142 4.629 50 10 JJGE CC(=O)Nc1ccc(N/C=C(/C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1 100071267 WOQFRYYDTPCMSG-PTNGSMBKSA-N 473.470 4.760 50 10 JJGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCc3ccco3)c(Oc3ccc(Cl)cc3Cl)nc12 102851193 UVDNHCMGIVRQPV-GDNBJRDFSA-N 495.322 4.918 50 10 JJGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCC[C@H](CCBr)C1 147708286 LWGQDNUHJSDDBF-SECBINFHSA-N 480.049 4.942 50 10 JJGE O=C(NC1(CBr)CCCCC1)c1cc(Cl)ccc1I 236065365 HEDXUANPHLUCEL-UHFFFAOYSA-N 456.549 4.772 50 10 JJGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1ccc(Br)cc1Br 686179640 PPFCHCRXLHOUMW-LGYCOIBBSA-N 466.011 4.988 50 10 JJGE Cc1cccc(C(=O)N2CCC[C@H](C)[C@H]2CCBr)c1I 697200080 KHSLTCNDMUPUON-SMDDNHRTSA-N 450.158 4.625 50 10 JJGE BrCc1cc(Br)ccc1N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 705933964 NOCFKWPEXVPSDY-ROUUACIJSA-N 450.218 4.912 50 10 JJGE ClCCc1nc2cc(I)ccc2n1C[C@H]1CCN1Cc1ccccc1 716236221 GGLRNWLJQJDUIM-QGZVFWFLSA-N 465.766 4.697 50 10 JJGE Cc1cccc(C(=O)N[C@@H]2Cc3ccccc3C2=NNC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 1088701331 ACZAGMPXVJGIFR-OAQYLSRUSA-N 482.462 4.774 50 10 JJGE CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)Nc2ccc(Br)cc2Cl)c1C(C)C 1625987453 UEZPKJNROBIVLD-UHFFFAOYSA-N 455.740 4.532 50 10 JJGE C#C[C@H](NC(=O)NNc1ccc(Cl)c(Br)c1)c1ccc(Br)cc1 1636563136 SXDUTEIITSDKJL-HNNXBMFYSA-N 457.553 4.866 50 10 JJGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865689126 KPPCXDFZJLRQIO-DEOSSOPVSA-N 458.562 4.899 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)ccc1OC(C)C 1865697600 XSRPBSDKYUQBIA-DEOSSOPVSA-N 479.540 4.948 50 10 JJGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865701518 XHTGJNMCGKYQFX-NRFANRHFSA-N 464.953 4.773 50 10 JJGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714104 CPLBGMACWBMGFO-FQEVSTJZSA-N 465.351 4.814 50 10 JJGE COc1cccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)n2)c1 1872744436 RLGYZDIQBRGKKY-GYHWCHFESA-N 494.532 4.960 50 10 JJGE Cl[C@@H](c1cc(I)cc2c1OCC2)c1sncc1Br 2028526031 YUWXYFZMIRQXHT-JTQLQIEISA-N 456.530 4.773 50 10 JJGE CS(=O)(=O)C1([C@@H](Br)c2cc(Br)ccc2Br)CCC1 2047890449 NQFZISADQZBYME-NSHDSACASA-N 461.013 4.615 50 10 JJGE CN(Cc1cc(Cl)ccc1I)[C@@H](CCBr)C(F)F 2058235500 XFPCTNOADFKLND-NSHDSACASA-N 452.508 4.795 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CCS[C@@H](CCBr)C1 2094091949 ZVIDIKBFIYRANZ-VIFPVBQESA-N 472.040 4.554 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H]2[C@H](Br)CCC[C@H]2C1 2094589326 YTXIPBRBPQYRPU-FXBDTBDDSA-N 472.040 4.909 50 10 JJGE O=C(c1csc(I)c1)N1CCC[C@]2(CBr)CCC[C@@H]12 2108986997 XLRJATHPXBMENR-RISCZKNCSA-N 454.171 4.523 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1[C@H]2CC[C@@H](C2)[C@@H]1CBr 2122173241 SGRNZHZISQPWFR-FWDPORAESA-N 451.984 4.600 50 10 JJGE CC(C)[C@H]1[C@H](Br)CCN1C(=O)c1cccc(Br)c1Br 2126093578 OCSLEMDRFNDOKD-YPMHNXCESA-N 454.000 4.846 50 10 JJGE C[C@@]1(CCCl)CCN(C(=O)c2cc(I)ccc2Br)C1 2131916141 KZLHOMJJGZKZFF-CQSZACIVSA-N 456.549 4.535 50 10 JJGE CC1(C)[C@H](Cl)CCCN1C(=O)c1ccc(Br)cc1I 2142284112 YJUAYXSJMNTKAV-GFCCVEGCSA-N 456.549 4.676 50 10 JJGE CN(c1ncc(C(F)(F)F)cc1I)C1(CBr)CCCC1 2170292253 NSOIZVVKWZJGTR-UHFFFAOYSA-N 463.079 4.849 50 10 JJGE COc1ccc(Br)c(CBr)c1OC[C@]1(Br)CC1(F)F 2227728497 OAOGRYAWBHOXEQ-LLVKDONJSA-N 464.926 4.904 50 10 JJGE Cc1ccc(I)c(C(=O)NC[C@@H]2CCCC[C@H](Br)C2)c1 2240924470 LULJKKOKNUPNLF-OLZOCXBDSA-N 450.158 4.673 50 10 JJGE CN(C[C@H]1C[C@H](Br)C1)C(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 2241633904 DZPJYQRATFJSJE-QAQDUYKDSA-N 471.395 4.547 50 10 JJGE CN(C(=O)c1ccc(Cl)c(I)c1)[C@@H](CBr)C(C)(C)C 2268343060 AZMBNFUDXLPWGH-LBPRGKRZSA-N 458.565 4.826 50 10 JJGE C[C@@H]1CC[C@H](Br)CN1C(=O)Cc1cc(Br)cc(Br)c1 2277936908 PXSLKZOEAYJJOY-KOLCDFICSA-N 454.000 4.529 50 10 JJGE BrC[C@H]1Cc2ccccc2CN1c1ncc(Br)cc1Br 2296340441 AYYKXDKBWZVNBI-CYBMUJFWSA-N 460.995 4.933 50 10 JJGE O=C(N[C@H](CCBr)COCc1ccccc1)c1c(F)cccc1Br 2303542140 ZKSVCCRBWHBJCH-CQSZACIVSA-N 459.153 4.688 50 10 JJGE Cc1cc(F)c(Br)cc1C(=O)N[C@H](CCBr)COCc1ccccc1 2320358476 OOKGXVPLTNISQC-OAHLLOKOSA-N 473.180 4.997 50 10 JJGE CC(=NNC(=O)c1ccc(-c2ccc(Cl)cc2Cl)nc1C)c1ccc2c(c1)N(C)C(=O)CO2 2321275935 NKLDLUDRXKUZER-UHFFFAOYSA-N 483.355 4.873 50 10 JJGE C=CC[C@@](C)(CBr)CNC(=O)c1ccc(Cl)cc1I 2340056875 HCGZNGFRGWWQJH-AWEZNQCLSA-N 456.549 4.652 50 10 JJGE BrC[C@@H](Cc1ncc(I)cn1)Cc1ccccc1Br 2353311140 GOPWXVWVOHGTES-SNVBAGLBSA-N 495.984 4.640 50 10 JJGE O=C1Cc2cc([C@H](Br)c3ccc(Cl)cc3I)ccc2N1 2365592178 KZEGRGXEPXSFHF-HNNXBMFYSA-N 462.512 4.924 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2cccc3ccccc23)c(Br)c1 12403520 OAUBPQAAXYEAFY-UHFFFAOYSA-N 485.378 4.505 50 10 JJGE O=C(NNC(=O)c1cccc(OCCOc2ccccc2)c1)c1ccc(-c2ccccc2)cc1 14040886 BJSYMHVICWOXBT-UHFFFAOYSA-N 452.510 4.886 50 10 JJGE O=C(/C=C/c1ccc(Cl)cc1)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 14833983 RXNUIJHBGDYQMX-JXMROGBWSA-N 450.372 4.557 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C(C)(C)C)cc3)cc2)cc1 59166923 DMEMTKYNOFBFDG-WPWMEQJKSA-N 480.586 4.589 50 10 JJGE COc1cc(F)c([C@H](Br)c2cccc(I)c2)cc1OC 109885154 MSQHEVCCQORPTK-OAHLLOKOSA-N 451.073 4.932 50 10 JJGE Cc1nn(C)c(CC(CBr)(CBr)c2cccc(F)c2)c1Br 118877842 YTESTKMVPHLCER-UHFFFAOYSA-N 483.017 4.900 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N[C@H](CBr)CC(C)C)cc1Br 136932707 KMBJFNDWWZADJZ-JTQLQIEISA-N 492.071 4.608 50 10 JJGE CN(CC1CC(Br)C1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 147751947 DBCBHHQGKSHASI-UHFFFAOYSA-N 466.022 4.550 50 10 JJGE O=C(NCCCCCCI)c1ccc(Br)cc1Br 232458751 SFIYNRLXMBJAOD-UHFFFAOYSA-N 488.989 4.937 50 10 JJGE CC(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(OCc2ccc(Cl)cc2)cc1 252613106 IYMLGHZNRRMDGD-UHFFFAOYSA-N 482.880 4.818 50 10 JJGE Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 253565991 IKPCIYCJYOKFEL-JVWAILMASA-N 457.921 4.850 50 10 JJGE COc1ccc(C(=O)CCCC(=NNC(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 254483858 SZXOJYRBFFRAQU-UHFFFAOYSA-N 460.530 4.900 50 10 JJGE O=C(c1scc(Br)c1Br)N1CCSC[C@@H]1CCBr 689250611 KVSBJDLZJGDSTA-ZETCQYMHSA-N 478.069 4.616 50 10 JJGE C[C@@H]1CC[C@H](CCl)CN1C(=O)c1ccc(I)c(Br)c1 721510446 OAUMRWSDIIBJOM-NXEZZACHSA-N 456.549 4.533 50 10 JJGE O=C(N[C@@H]1CCCC[C@@H]1CCl)c1ccc(I)c(Br)c1 721620836 PAMSXYSRIDLQES-ZWNOBZJWSA-N 456.549 4.581 50 10 JJGE Cc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1sc2c(c1C#N)CCCC2 1084008858 FXEQXEOXEDMYCA-QHCPKHFHSA-N 460.603 4.870 50 10 JJGE O=C(NN=C1C(=O)N(C/C=C\c2ccccc2)c2ccccc21)c1cc(F)c(F)cc1Cl 1084589226 HJWVGSXLTCYTHL-PZPJNHLVSA-N 451.860 4.812 50 10 JJGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772748734 DDOWYQWQCZVVDY-UHFFFAOYSA-N 469.497 4.591 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](CCc2c(N)cncc2F)OC[C@@H]1CO[Si](C)(C)C(C)(C)C 1857788024 ZONVYXAVBFNYLI-SJORKVTESA-N 469.674 4.762 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3C)ccc1OCc1ccc(Cl)cc1Cl 1865703520 AHBNPCAJONJRJJ-NRFANRHFSA-N 471.344 4.841 50 10 JJGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706799 FUWHBXMLOSMZDH-HXUWFJFHSA-N 480.952 4.800 50 10 JJGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707540 YYSGHVPNKKSTDJ-IBGZPJMESA-N 471.344 4.733 50 10 JJGE CCN(C[C@@](C)(CI)O[C@H]1COC2(CCCC2)C1)C(=O)OC(C)(C)C 2069129965 YLTPWBZEOSCZJA-CRAIPNDOSA-N 467.388 4.555 50 10 JJGE CCN(CCCCBr)C(=O)c1ccc(Br)cc1I 2086150110 WTOUXSFWJPNONK-UHFFFAOYSA-N 488.989 4.691 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CCC[C@@H](CCl)CC1 2142284761 HNBOCTAPBNKARM-SNVBAGLBSA-N 456.549 4.535 50 10 JJGE CC1(C)[C@@H](CBr)CCN1c1ncc(C(F)(F)F)cc1I 2151555610 LCOPMRPWVDVVCP-MRVPVSSYSA-N 463.079 4.705 50 10 JJGE O=C(NC[C@H]1CCCC[C@H](Br)C1)c1cc(I)ccc1F 2169664873 SZNCFCZGRUEPPH-QWRGUYRKSA-N 454.121 4.504 50 10 JJGE CC1(C)C[C@H](CBr)CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 2172577770 LXYUNTLZZBGCRC-MRVPVSSYSA-N 465.660 4.596 50 10 JJGE O=C(c1c(Br)cccc1Br)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Br)C2 2190669314 BMUGAVHDJXFDHD-LXOIKGMDSA-N 469.974 4.690 50 10 JJGE Cn1ncc(Br)c1[C@H](Br)c1c(F)cc(F)c(Br)c1F 2227810529 WJKYWGCGWYLUSO-SECBINFHSA-N 462.889 4.847 50 10 JJGE C[C@H](Br)CN(CC(C)(C)C)C(=O)c1ccc(F)cc1I 2288062492 VNNVMSNSHNMWPM-JTQLQIEISA-N 456.137 4.702 50 10 JJGE O=C(O)C(Cl)=C(Cl)C=NNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 2294863129 UOCJPVMNPPPQEP-UHFFFAOYSA-N 452.077 4.655 50 10 JJGE COc1ccc(-n2c(C)cc(C=C(C#N)C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)c2C)cc1 2297492406 IZFBGOIVHPVZSF-UHFFFAOYSA-N 482.584 4.887 50 10 JJGE FC1(F)C[C@@H](CBr)N(Cc2ccc(I)c(Br)c2)C1 2325220716 JNTOWXWJFQXWDG-VIFPVBQESA-N 494.943 4.658 50 10 JJGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1 2331318624 IGBSMQMUZSTWRR-UHFFFAOYSA-N 490.497 4.596 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@H]2C[C@]1(CBr)C2 2336562602 DGOINXMDUJCLFG-DEZZCRIOSA-N 451.984 4.601 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1COCCOC1 2339658591 JVGMHKDFJIDXHS-LLVKDONJSA-N 460.963 4.758 50 10 JJGE CC(C)[C@H](CBr)N(C)C(=O)Cc1cc(Br)cc(Br)c1 2341382531 YOONRLKPARPPOB-ZDUSSCGKSA-N 456.016 4.632 50 10 JJGE COc1ccc(C(=O)NNC(=O)[C@@]23CC[C@@](C)(c4nc5cc(Cl)c(Cl)cc5nc42)C3(C)C)cc1 33366400 PEUFPYZJXDYAAM-LOSJGSFVSA-N 499.398 4.736 50 10 JJGE CC(C)Cc1nc(N2CCCN(C(=O)CCl)CC2)c2c(-c3ccc4ccccc4c3)noc2n1 34810528 KSSGLQPJNOXJOV-UHFFFAOYSA-N 477.996 4.914 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1 38685664 VQMGNGJXTLJSII-RUZDIDTESA-N 476.916 4.941 50 10 JJGE CNC(=O)/C(NC(=O)c1ccccc1)=C(/Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102921168 QIUFDKAJAUKDKT-CYYJNZCTSA-O 499.958 4.564 50 10 JJGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCC[C@@H](CCBr)C1 147708480 LWGQDNUHJSDDBF-VIFPVBQESA-N 480.049 4.942 50 10 JJGE CN(C(=O)c1ccc(Br)cc1Br)[C@@H]1CCCC[C@@H]1Br 234308543 JZEMKCJZZPEWFU-WCQYABFASA-N 454.000 4.990 50 10 JJGE CC(=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccncc1 254870619 YVAQDIMRTLRBSR-UHFFFAOYSA-N 456.575 4.579 50 10 JJGE ClCc1nc2cc(I)ccc2n1[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 398344488 LYBWGUJZAZPRJN-IGOJGBNBSA-N 463.750 4.683 50 10 JJGE C[C@@H](CBr)[C@@H]1CCCCN1C(=O)c1ccc(I)c(Cl)c1 696712177 MFRSJVKRMGFBLY-HZMBPMFUSA-N 470.576 4.970 50 10 JJGE O=C(N[C@@H](CCl)c1ccccc1)c1ccc(I)c(Br)c1 721573226 PPXRXPVMDJKCHU-AWEZNQCLSA-N 464.528 4.764 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc(OC3CCCC3)nc2)c(-c2ccccc2)n1 726948598 DXDKJGJLPAQPQO-HKWRFOASSA-N 452.518 4.726 50 10 JJGE CC1(C)CC(=O)CC(=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)C1 1084334359 NGYZKCGGRIITEY-UHFFFAOYSA-N 496.199 4.995 50 10 JJGE O=C(CCc1ccccc1O)NN=Cc1ccc(SCC(=O)Nc2ccc3ccccc3c2)o1 1084484528 BUGCMXDXXYLSAV-UHFFFAOYSA-N 473.554 4.952 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)NCc2ccc(NC(=O)C3CC3)cc2)c(-c2ccc(Cl)cc2)n1 1317792617 BYMMPEXILCXXEX-STZFKDTASA-N 498.974 4.689 50 10 JJGE C=CC(=O)Nc1cc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)ccc1F 1465685499 SDQPJRAIHHEIFM-CPNJWEJPSA-N 458.493 4.912 50 10 JJGE C=C(Cl)CSc1nc(C)c(CC(=O)NNc2nc(-c3ccc(Cl)cc3)no2)s1 1627960094 CFIDIUMAQSPEHR-UHFFFAOYSA-N 456.380 4.685 50 10 JJGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cccc(Cl)c4)c(C)c32)cc1 1772745794 KYUAJAMLXPRKCQ-UHFFFAOYSA-N 451.910 4.973 50 10 JJGE CC(C)c1cc(Br)ccc1OCC(=O)NN=Cc1ccc(Br)cc1 1772756075 YNLHGWSWBQTLGP-UHFFFAOYSA-N 454.162 4.864 50 10 JJGE CC[C@H](Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)C(=O)OCc1ccccc1 1858690323 OERDRGZNNQRSGR-SFHVURJKSA-N 469.425 4.641 50 10 JJGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3CCC)cc1OC 1865691869 CTZIMCUOULFFAH-LJQANCHMSA-N 475.387 4.770 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865708633 ZRCRDSSOKPXQAO-QFIPXVFZSA-N 482.943 4.912 50 10 JJGE CC[C@@](C)(NC(=O)Cc1nc(-c2cccc(F)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866657679 DAYUVATXHPPYQB-XMMPIXPASA-N 466.538 4.828 50 10 JJGE N#CSc1ccc(Nc2cc(N3CCN(C(=O)C4CC4)CC3)nc(-c3ccc(F)cc3)n2)cc1 1868455866 FRUGTNBAXOJAPI-UHFFFAOYSA-N 474.565 4.658 50 10 JJGE Cn1ncc([C@H](Cl)c2sc(Cl)cc2I)c1Br 1900919395 MQWXVZBZCOTYLF-ZETCQYMHSA-N 451.942 4.830 50 10 JJGE Cn1ncc(Br)c1[C@@H](Br)c1sc(Cl)cc1I 1901026809 TWALLDXTJGNPDW-SSDOTTSWSA-N 496.393 4.986 50 10 JJGE Cc1cc2c(cn1)nc(CCl)n2-c1ccc(I)cc1Br 1917809846 MFYPCDYTLKPKQL-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE O=S1(=O)CCC[C@H]([C@@H](Br)c2sc(Br)cc2Br)C1 1922887097 UXUPQLPXLYKZTD-IMTBSYHQSA-N 467.042 4.534 50 10 JJGE O=C(c1scc(Br)c1Br)N1CCC12CC(CBr)C2 2042650294 AAGROTPJIXYERB-UHFFFAOYSA-N 458.013 4.663 50 10 JJGE CC1(C)C[C@@H](CCl)N(C(=O)c2cc(Br)ccc2I)C1 2094742723 BQQIFCSLAKAYFC-JTQLQIEISA-N 456.549 4.533 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@@H](CBr)C12CC2 2133829947 FHFPBVYJPPFUDK-VIFPVBQESA-N 451.984 4.601 50 10 JJGE CCCN1CCC[C@H]([C@@H](Br)c2ccccc2OCc2ccccc2)S1(=O)=O 2145774011 DGVXCVVOUACIGU-RTWAWAEBSA-N 452.414 4.906 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CCC2(CC1)C[C@@H]2CCl 2148895391 HNSPJUOOBCQQKR-SNVBAGLBSA-N 468.560 4.535 50 10 JJGE Cc1ccc(C(=O)N2CCCC[C@H]2[C@H](C)CBr)cc1I 2232834677 WIINQVKEFVHKPJ-DOMZBBRYSA-N 450.158 4.625 50 10 JJGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc3cc(OC)ccc3c2)cc1 2297321825 DRCYQNBIBVRTKB-UHFFFAOYSA-N 479.536 4.778 50 10 JJGE C[C@H](Br)[C@@H]1CCN(Cc2ccc(I)c(Br)c2)C1 2306222076 PKJBJDUFWBXDCZ-GXSJLCMTSA-N 472.990 4.659 50 10 JJGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccccc2C)cc1OC 2313518200 RVRSVQRBIDEQEY-UHFFFAOYSA-N 474.298 4.719 50 10 JJGE COc1ccc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)c(Br)c1O 2323166743 UICFPOGTCXRDBB-GFCCVEGCSA-N 456.340 4.533 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 2328796380 KMSJYTGEVXWKOS-CYFREDJKSA-N 483.609 4.972 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1C[C@H]2[C@H](Br)CCC[C@H]2C1 2365593506 ULYLLZDGLKCTGP-ZWKOPEQDSA-N 468.560 4.580 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@H]1c1cccc([N+](=O)[O-])c1 38653441 YSHCOYYIMARJDE-OAQYLSRUSA-N 492.285 4.795 50 10 JJGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1/C(=N/NC(=O)c1ccncc1)CCC2 40813959 YVFSPMHSQSKTOY-BHGSVWKISA-N 460.509 4.574 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)Cc2cccc3ccccc23)cc1 59501733 BTEFRDHDYWSCQK-OVVQPSECSA-N 458.539 4.609 50 10 JJGE N#CC(C#N)=Cc1ccc(Sc2nnc(-c3cccnc3)n2-c2ccccc2)c([N+](=O)[O-])c1 59922907 MGWVCNKZJPBYOY-UHFFFAOYSA-N 451.471 4.819 50 10 JJGE CCOc1ccc(-c2csc(/C(C#N)=C\Nc3cc(C(=O)OC)ccc3C(=O)OC)n2)cc1 102416581 UDKOVKHLFSMFOJ-LGMDPLHJSA-N 463.515 4.759 50 10 JJGE Cc1sc(Br)cc1S(=O)(=O)Nc1cccc(CCCBr)c1 139458835 SZPZPEWMOIIHNG-UHFFFAOYSA-N 453.221 4.947 50 10 JJGE CCOC(=O)c1sc(NC(=O)NN=Cc2ccc(Cl)cc2Cl)c(C(=O)OCC)c1C 256017531 QYNQQXPUMMYSDC-UHFFFAOYSA-N 472.350 4.872 50 10 JJGE COc1ccc(Cl)cc1[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CI 382689464 HQKCKHDKPWRSON-BXUZGUMPSA-N 451.732 4.734 50 10 JJGE COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)c1Cl 382696087 BAURDLOCJVQSBT-DGCLKSJQSA-N 451.732 4.734 50 10 JJGE CCN(c1ncc(C(F)(F)F)cc1I)C(C)(C)CBr 686114383 DRINXYBMTIZBTQ-UHFFFAOYSA-N 451.068 4.705 50 10 JJGE COc1ccc2nc(CCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2n1 705783273 LMZQHYHDJMMGLA-UHFFFAOYSA-N 462.981 4.650 50 10 JJGE C[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2I)[C@@H]1CBr 708478646 XGOJRXUGZQITPI-NOZJJQNGSA-N 456.549 4.580 50 10 JJGE O=C(NNC(=O)c1ccccc1OCc1ccc(F)cc1)N[C@H]1CCc2c(Br)cccc21 727944103 BSCCEUDWYHRPHL-NRFANRHFSA-N 498.352 4.799 50 10 JJGE Cc1cc(C)cc(NC(=O)COC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1 782093949 CBTVPPQBPNOWKG-DEDYPNTBSA-N 487.947 4.823 50 10 JJGE CCOC(=O)Nc1cccc(OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1 914464274 BXYLMPVYYKTKQP-RGEXLXHISA-N 455.474 4.545 50 10 JJGE C#C[C@H](NC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccc(F)cc1 1686916655 QIZONTDRHKVJMS-QHCPKHFHSA-N 452.489 4.668 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)c1 1865711921 LMFGYCBPGPKTAN-QHCPKHFHSA-N 452.489 4.964 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CC[C@]2(CCC[C@@H]2Cl)C1 1918919674 CQMGFEAMXTYRRT-DZGCQCFKSA-N 468.560 4.677 50 10 JJGE C[C@H]1C[C@@H](CBr)CCN1C(=O)c1scc(Br)c1Br 2052369102 XEQAIHIRRAHMMV-YUMQZZPRSA-N 460.029 4.909 50 10 JJGE O=C(CBr)c1c(I)ccc(C(F)(F)F)c1OC(F)(F)F 2055149882 BMVKBIIVWMQHDO-UHFFFAOYSA-N 476.936 4.786 50 10 JJGE O=C(c1scc(Br)c1Br)N1CC[C@H](Br)[C@@H]2CC[C@@H]21 2069990856 JCOPNLQYYYKIQK-ZKWXMUAHSA-N 458.013 4.661 50 10 JJGE Fc1cc(-n2nc(CBr)c(I)c2C(F)(F)F)cnc1Cl 2078932999 KWSREXHKHAXOED-UHFFFAOYSA-N 484.416 4.578 50 10 JJGE CCOc1ccc(Cn2nc(CCl)c(I)c2C(F)(F)F)c(F)c1 2079211064 IKGCZISZCVQNCE-UHFFFAOYSA-N 462.612 4.831 50 10 JJGE O=[N+]([O-])c1c(CBr)nn(Cc2cc(F)ccc2C(F)(F)F)c1C(F)(F)F 2079258165 GBKRYEPJBXXOMH-UHFFFAOYSA-N 450.108 4.911 50 10 JJGE CC[C@@H]1CN(C(=O)c2scc(Br)c2Br)C[C@@H]1CBr 2084898371 JHKNJUAFSTWBRR-SFYZADRCSA-N 460.029 4.766 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@H](Br)CC12CC2 2113561579 MIZQRHXFONKANB-JTQLQIEISA-N 451.984 4.744 50 10 JJGE CC(C)c1nc(-c2ncc(Br)cc2Br)nc(O)c1CBr 2187324045 IKLIYJWWMLTNPL-UHFFFAOYSA-N 465.971 4.788 50 10 JJGE CC1(C)CN(S(=O)(=O)c2cc(CCl)sc2Br)CCCN1Cc1ccccc1 2193722575 WPCHROYKTXGDAG-UHFFFAOYSA-N 491.904 4.925 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CC2(CCl)CCC1CC2 2207262677 RYQGFGUHQDIRKJ-UHFFFAOYSA-N 468.560 4.677 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCc2ccc(C(F)(F)F)cc2)C1 2223304880 WIXWTSRRGZGMGU-UONOGXRCSA-N 471.257 4.645 50 10 JJGE Cc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3sc4c(c3C(N)=O)CCCC4)cc2)cc1 2296818059 DCLMDFKOGPGNPN-UHFFFAOYSA-N 485.565 4.799 50 10 JJGE COc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OC)c(Br)c2)cc1 2313511194 SZRXUSNXKSHURQ-UHFFFAOYSA-N 466.129 4.774 50 10 JJGE C[C@H](Br)[C@@H](NCc1cc(I)ccc1Cl)C(F)(F)F 2327406722 MAIXKJXIYGMHNV-QUBYGPBYSA-N 456.471 4.749 50 10 JJGE O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccccc1OCc1cccc(Br)c1 3470946 SUIQVUXEEPVVJC-SRZZPIQSSA-N 460.309 4.762 50 10 JJGE Cc1cc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc(C)c1Cl 14038534 ACCXPUBYSYQYJA-SFHVURJKSA-N 452.938 4.618 50 10 JJGE CCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCC(C)C)cc2)cc1Br 14041308 YAEGCAHFIOBDPA-UHFFFAOYSA-N 463.372 4.738 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@@H]1c1ccccc1F 38652379 KXZLGWOZUGAFHE-NRFANRHFSA-N 465.824 4.825 50 10 JJGE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)C(=O)Nc1cc(C)ccc1C 39858822 RNKUACAGHSZEEH-CYVLTUHYSA-N 466.497 4.658 50 10 JJGE CCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OC 40514683 KKUNGUGUYZVGCE-HYARGMPZSA-N 460.530 4.675 50 10 JJGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)c1 40529793 LDWABQXVSFARIN-RUZDIDTESA-N 454.482 4.697 50 10 JJGE CCC(CBr)(CBr)NC(=O)c1ccc(Cl)c(Br)c1 232858218 NBPVCEBNRKXNCK-UHFFFAOYSA-N 462.407 4.771 50 10 JJGE O=C(NC[C@@H](Br)c1ccccc1)c1cc(Cl)ccc1I 236065728 PJTHCMKPBRURBY-CYBMUJFWSA-N 464.528 4.811 50 10 JJGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccccc2[N+](=O)[O-])cc1 254711386 WUCKMBMTQMCOBU-UHFFFAOYSA-N 483.480 4.805 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H](CCl)[C@H](C(F)(F)F)C1 709798897 XZGRRVYCFOVMEU-PHDIDXHHSA-N 455.521 4.762 50 10 JJGE O=C(c1cc(Br)ccc1I)N(CCCl)c1ccccc1 714534463 PWTZEPNRNXUMPA-UHFFFAOYSA-N 464.528 4.939 50 10 JJGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)[C@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 746181406 ZPXXOTUOPGYCBG-ZDUSSCGKSA-N 459.549 4.878 50 10 JJGE Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 914464293 DHEPKSKFUPRCAR-PCLIKHOPSA-N 489.583 4.549 50 10 JJGE C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 1084347187 DHTODMHGSMBOOB-QGOAFFKASA-N 486.797 4.923 50 10 JJGE CCOc1c(C=NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cccc1OC 1772753826 KWHXAYDUXBJWPS-UHFFFAOYSA-N 463.372 4.683 50 10 JJGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)cc1OC 1865695733 GYMPJJLYLGLBLC-QHCPKHFHSA-N 474.561 4.891 50 10 JJGE CCOc1cc(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)cc(OCC)c1OCC 1865755504 BIPBBAFULGAPFC-UHFFFAOYSA-N 497.979 4.981 50 10 JJGE CC1(C)CN(c2ncc(C(F)(F)F)cc2I)C[C@@H]1CBr 1914529271 POUBVAVHDUBPAW-VIFPVBQESA-N 463.079 4.562 50 10 JJGE Cc1cc(Br)sc1[C@H](Br)c1cnn(C)c1I 1939454993 ZWNRCIIASAPZJN-MRVPVSSYSA-N 475.975 4.641 50 10 JJGE O=C(NC1CC([C@H](F)CBr)C1)c1csc(Br)c1Br 2078361933 GTTPWCYGGFAGJY-NPWHJSNTSA-N 463.992 4.515 50 10 JJGE O=C(c1csc(Br)c1Br)N1CC[C@H](CBr)C(F)(F)C1 2093947841 IYMCUMNEBPDUSP-ZCFIWIBFSA-N 481.982 4.765 50 10 JJGE O=C(c1csc(I)c1)N1C[C@H](Br)C2(CCCCC2)C1 2117745777 IEHURIWDRSCSMG-NSHDSACASA-N 454.171 4.523 50 10 JJGE CC(C)[C@H](Br)CCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2146555098 QMJPAMRTXLMVSW-SECBINFHSA-N 468.038 4.844 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@@H]2CCC[C@H](C1)C2Br 2167778477 NZGWROXPNWRGKJ-HWYHXSKPSA-N 466.011 4.847 50 10 JJGE Brc1ccc(Br)c(CN2C[C@@H](Br)C[C@@]3(CCCO3)C2)c1 2175149058 FRHCJHLOWQLRNC-ZFWWWQNUSA-N 468.027 4.730 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CC2(CCC(Cl)CC2)C1 2181090982 RXXLIUSJUZJTIR-UHFFFAOYSA-N 468.560 4.677 50 10 JJGE O=C(c1cc(I)ccc1Br)N1C[C@@H](Cl)CC12CCCC2 2241028718 DFVBACCZYKSRFX-JTQLQIEISA-N 468.560 4.820 50 10 JJGE CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@@H](CI)O2)C[C@H]1C(F)(F)F 2252609896 TULSISOLTOZMEQ-SLEUVZQESA-N 463.278 4.691 50 10 JJGE CC1(C)c2ccccc2N2CCC(=O)N[C@@]21C=Cc1ccc(N(CCCl)CCCl)cc1 2297470919 NYHFJYYJQHIJQX-VWLOTQADSA-N 458.433 4.998 50 10 JJGE CC(C)[C@@H]1C[C@@H](Br)CN1C(=O)c1scc(Br)c1Br 2321382927 YMLHKNBLCJUUKW-APPZFPTMSA-N 460.029 4.907 50 10 JJGE COc1cc(C=C(C#N)c2nc(-c3cccs3)cs2)ccc1OCCN1CCOCC1 2331450655 JVKVJLFPSROHMA-UHFFFAOYSA-N 453.589 4.655 50 10 JJGE Cn1cc(I)c(C[C@H](CBr)Cc2cccc(Br)c2)n1 2341763220 RPMPZZUFZYPLQW-LLVKDONJSA-N 498.000 4.584 50 10 JJGE C[C@@H]1CC2CC(CO[C@@H](CI)c3ccccc3Br)(C2)O1 2368121599 VHGJTMAXZGKRLG-IABDWYQCSA-N 451.142 4.899 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(C[C@]3(CBr)CC3(F)F)C2)C1 2379981061 CPMYMQUKCJUGEY-JTDSTZFVSA-N 451.396 4.766 50 10 JJGE Clc1ccccc1CN(Cc1cccnc1)C1=NC[C@@H](CI)S1 1013369 MCRPHZNWWRGNKV-OAHLLOKOSA-N 457.768 4.644 50 10 JJGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)CCC(=O)Nc1ccc(C)cc1C 10683085 KALCTRXJGUAPSR-PGRDOPGGSA-N 453.583 4.541 50 10 JJGE O=C(CNc1ccc(I)cc1)NN=C(Cc1ccccc1)Cc1ccccc1 20826754 LGCKCNXBNWAMSN-UHFFFAOYSA-N 483.353 4.661 50 10 JJGE O=C(NC1CCCCC1)[C@@H](c1cccnc1)N(C(=O)CCl)c1ccc(Br)cc1F 34847291 XJPWMWKTOYSVLO-HXUWFJFHSA-N 482.781 4.745 50 10 JJGE Cc1c(Cl)cccc1Nc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40588532 XJTBDKBSDUDAAF-UHFFFAOYSA-N 497.726 4.919 50 10 JJGE CCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2)cc1OC 40911018 LPILLHITLRPWCH-BUVRLJJBSA-N 463.372 4.946 50 10 JJGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1O 40924479 FYGQUWJCTANOOK-LSHDLFTRSA-N 492.420 4.919 50 10 JJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 101234730 FHLXQAAMVCICCP-CPNJWEJPSA-N 456.329 4.749 50 10 JJGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1C 101242638 FYYWKNOJPUREBM-YMGIJWJESA-N 475.545 4.778 50 10 JJGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 101339999 IJWPFOKTFRAWQQ-LPYMAVHISA-N 469.453 4.656 50 10 JJGE CCOc1cc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2OC)cc(OCC)c1OCC 103647723 MDANGTAAZVDYAY-NDENLUEZSA-N 496.560 4.542 50 10 JJGE COc1cc(C[C@H](Br)c2cc(I)ccc2Br)ncn1 234994649 LAHZPBYMSAFVLM-LBPRGKRZSA-N 497.956 4.531 50 10 JJGE CC[C@H](Nc1ccc(I)cc1C)C(=O)NN=Cc1cccc(Cl)c1 254556743 MQWNGJNEDGDFCI-INIZCTEOSA-N 455.727 4.594 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)COc2ccccc2)cc1 254583956 WAPLSTGOGLTUOK-UHFFFAOYSA-N 454.530 4.857 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(OC(C(F)(F)F)C(F)(F)F)CC1 301945378 DLRYOVDOIQQLNW-UHFFFAOYSA-N 491.210 4.701 50 10 JJGE C[C@@H](Br)C[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1I 311373563 SHAMTNPFMFXWGY-KOLCDFICSA-N 456.549 4.723 50 10 JJGE COc1ccc(CCCNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 918175731 ALTYMOPDQAXJNR-LTGZKZEYSA-N 473.964 4.782 50 10 JJGE C=CCc1ccc(OCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c(OC)c1 1083913581 JTHZDBCQLNJYOI-UHFFFAOYSA-N 484.531 4.945 50 10 JJGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(OCC)c1)C(C#N)=C(N)O2 1865680941 ALHBYAVFMHKLJF-OAQYLSRUSA-N 450.926 4.801 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(NC(C)=O)cc3)n2)c(OC)c1OC 1872759459 PASAADNBGLLTPO-ZZEZOPTASA-N 465.531 4.830 50 10 JJGE N#CC(=Cc1cn(Cc2ccccc2)nc1-c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1 2040461206 DKWBPRMGBGXMML-UHFFFAOYSA-N 460.946 4.985 50 10 JJGE Fc1cc(F)c(F)c([C@@H](Br)c2cc(I)sn2)c1F 2056496009 KLRFRJZPUYEMGI-QMMMGPOBSA-N 452.008 4.788 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CCC12CC(CBr)C2 2104556874 QLSLJWUXKOUJIA-UHFFFAOYSA-N 451.984 4.601 50 10 JJGE CC(C)CN1C[C@H](Br)[C@H](Cc2ccc(I)c(Cl)c2)C1 2142936564 JSBMMJYVKBWVGN-OLZOCXBDSA-N 456.593 4.838 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CC2(CCC2)C[C@H]1CCl 2151496446 FYNOBRLOWFSUIZ-NSHDSACASA-N 468.560 4.677 50 10 JJGE Cc1nc2c(cc1Br)nc(CCl)n2CCCOCCOCc1ccccc1 2153133480 DSNLVWYTWUWCDH-UHFFFAOYSA-N 452.780 4.865 50 10 JJGE CC1(C)CO[C@H](COc2c(Br)cc(Br)cc2CBr)CO1 2176670093 LSVSFIIJDJLSHG-LLVKDONJSA-N 472.999 4.679 50 10 JJGE CCc1ccc(S(=O)(=O)N(C)C2CC(OCc3ccccc3)C2)cc1CBr 2179862607 YRTIETIKHSBTHB-UHFFFAOYSA-N 452.414 4.512 50 10 JJGE Brc1cnc(N2CC[C@@H]3[C@H](Br)CCC[C@H]3C2)c(Br)c1 2225463353 ZFAKJBMIDNCMEC-ZMLRMANQSA-N 453.016 4.997 50 10 JJGE C[C@H](Br)[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(I)c1 2268352266 ZGCHUVFXEYTTRP-ZANVPECISA-N 456.549 4.723 50 10 JJGE CC(C)(C)[C@@H](CBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277913823 BOBXGNJLAPIOFZ-GFCCVEGCSA-N 456.016 4.680 50 10 JJGE CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1OC 2313518539 IEBXJRDADGMPKG-UHFFFAOYSA-N 462.287 4.553 50 10 JJGE CC[C@]1(C)[C@@H](Cl)CCN1C(=O)c1ccc(Br)cc1I 2336760156 WURNPKIXHPGWJG-GXTWGEPZSA-N 456.549 4.676 50 10 JJGE F[C@@H](CBr)C1CCN(Cc2ccc(Cl)cc2I)CC1 2341005438 OGMSBQQHEXGFNJ-ZDUSSCGKSA-N 460.556 4.890 50 10 JJGE F[C@@H]1[C@@H](Cl)C[C@H]2CC[C@H]1N2Cc1ccc(I)c(Br)c1 2349835024 ILKGIAQOVMMJNY-QEGRKFQGSA-N 458.540 4.736 50 10 JJGE CN([C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12)S(=O)(=O)c1ccc(CBr)s1 2357090738 BIQMZKSWVFXDIN-NBMJBFSESA-N 470.454 4.647 50 10 JJGE CC1(C)CC(CBr)(CN=[S@]2(=O)CC[C@@H](CNC(=O)OC(C)(C)C)C2(C)C)C1 2371145419 DVJVETRJKLWPJU-QZXCRCNTSA-N 465.498 4.979 50 10 JJGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccccc1OCCOc1ccccc1 14040621 IWGKNNICBAHEFK-FQEVSTJZSA-N 470.525 4.526 50 10 JJGE CCOC(=O)/C(C#N)=C\c1cc(Br)c(OCCOc2ccccc2OC)c(OCC)c1 33732649 AWHUARITZIHIGU-ATVHPVEESA-N 490.350 4.784 50 10 JJGE Cc1ccc(S(=O)(=O)NNC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 33809216 RZNWJZVDFXRPKG-UHFFFAOYSA-N 494.576 4.896 50 10 JJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)c1 38659731 RZDRALVJHLZGCU-VWLOTQADSA-N 492.915 4.560 50 10 JJGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc(OC)c3)ccc21 40529691 HPAYKGPHSJZRLQ-RUZDIDTESA-N 456.498 4.921 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40658163 AYAAFCBTPRJYQC-UHFFFAOYSA-N 487.432 4.586 50 10 JJGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814618 BINNGZMVJSQKRJ-ZXVVBBHZSA-N 480.908 4.801 50 10 JJGE C=CCOc1c(Cl)cc(/C=N/NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1Cl 58893932 YKUUJPHESOYYNZ-LEEXQRRLSA-N 451.350 4.921 50 10 JJGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCC(C)C)c(OC)c3)C2=O)cc1 101340080 VIJWEXQWAKAUGG-WSDLNYQXSA-N 460.530 4.531 50 10 JJGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)OCC)cc1 103284212 RWAHSBSQHSIAIX-LGMDPLHJSA-N 470.547 4.744 50 10 JJGE O=C(NC[C@H]1CCCC[C@H]1Br)c1cc(Br)c(Br)s1 123235033 NMCHYGIGTFNPGO-HTQZYQBOSA-N 460.029 4.957 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@H](CCCl)C2)cc1Br 155819479 WQBMGKLINJOEGU-LLVKDONJSA-N 459.631 4.550 50 10 JJGE CCCCCOc1ccc(/C=N\NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc1 169920851 NFCJWACFPWBANS-PKAZHMFMSA-N 451.954 4.883 50 10 JJGE CC(=NNC(=O)CSCc1ccccc1Cl)c1cccc(NC(=O)c2cccnc2)c1 254442728 YHWFNIKAMZJTGN-UHFFFAOYSA-N 452.967 4.761 50 10 JJGE O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 254702390 MHQJYAJJUCAIRX-UHFFFAOYSA-N 478.468 4.866 50 10 JJGE C[C@H]1[C@@H](I)[C@@H](CI)C[C@@H](C)N1Cc1ccccc1 307490051 AATRYUVDDFYFQU-AYRXBEOTSA-N 469.148 4.524 50 10 JJGE ClCCc1nc2cccnc2n1-c1cc(Br)ccc1I 312272713 NVLNDRSOTQZLOM-UHFFFAOYSA-N 462.516 4.569 50 10 JJGE C[C@H](Br)C[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 312435628 WFVBJSMCYGLALT-IUCAKERBSA-N 465.660 4.881 50 10 JJGE Cc1ccc(F)c([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1 382682834 FECMXGMBUGIOLS-FUHWJXTLSA-N 453.295 4.921 50 10 JJGE CC1(C)C[C@@H](Br)CCN(C(=O)c2ccc(I)c(Cl)c2)C1 395337978 KUYHVCWMGKTMNB-NSHDSACASA-N 470.576 4.970 50 10 JJGE C[C@H]1CC[C@@H](CCl)CN1C(=O)c1cc(I)ccc1Br 688696138 LMVVEVJCDAYYOS-UWVGGRQHSA-N 456.549 4.533 50 10 JJGE CCN(C[C@@H](C)Br)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 691375133 XUKKYDQXKLIHOI-SSDOTTSWSA-N 454.011 4.550 50 10 JJGE CCOc1cc(C(=O)NN=C/C=C2\N(C)c3ccccc3C2(C)C)cc(OCC)c1OCC 886005247 OABDUYHRZHGLLD-MJZYPINLSA-N 451.567 4.910 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1F 1084595961 APTQFYMGWCUCMI-HAVVHWLPSA-N 471.532 4.669 50 10 JJGE O=C(COc1ccccc1-c1ccccc1)NNC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 1086999964 ZKWRYPPJXWYDJP-SFTDATJTSA-N 454.448 4.702 50 10 JJGE O=[N+]([O-])c1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2CBr)c(Br)c1 1614640644 CTCIOEUMKDTRFV-RHSMWYFYSA-N 454.162 4.968 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cc([N+](=O)[O-])ccc2F)C1 1614693334 VRKRQCVRNYXUHP-PBHICJAKSA-N 484.265 4.521 50 10 JJGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1C(=NNC(=O)c1ccncc1)CCC2 1772746703 YVFSPMHSQSKTOY-OAHLLOKOSA-N 460.509 4.574 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(O)cc1 1865684608 TVESWKCGHXZDQC-INIZCTEOSA-N 464.806 4.666 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705834 GUHSPFWRQAHKPN-FQEVSTJZSA-N 470.876 4.714 50 10 JJGE CCc1ccc(-c2ccc(C(=O)N/N=C\c3cc(Br)c(O)c(OC)c3)c(C)n2)cc1 1865760672 JPCWTXVUMRGKPO-MXAYSNPKSA-N 468.351 4.860 50 10 JJGE COc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1872726719 AVEOCQTXAPHENV-LDADJPATSA-N 454.442 4.773 50 10 JJGE COc1cc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)cc(OC)c1OC 1872748958 UYVVCWSLEWRMLZ-ZZEZOPTASA-N 479.558 4.675 50 10 JJGE COc1cccc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)c1OCc1ccc(F)cc1 1873795717 YTSBYWKOGPKIQA-STBIYBPSSA-N 487.572 4.949 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2COC3(CCCCC3)C2)C1 1879030763 WKWGCZVCLLWXQQ-OXQOHEQNSA-N 479.399 4.700 50 10 JJGE CC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CS(=O)(=O)C1 1924569519 WUPLDHRVQCFAAQ-ZCFIWIBFSA-N 487.460 4.750 50 10 JJGE CC[C@H](C[C@H](C)Br)Nc1ncc(I)cc1Br 1988534077 FRJOYFFLYBSREP-IONNQARKSA-N 461.967 4.813 50 10 JJGE CC[C@H](C)[C@@H](CI)NC(=O)c1csc(Br)c1Br 2023034634 XMCIOHKIWFBQGO-POYBYMJQSA-N 495.018 4.853 50 10 JJGE O=C(c1csc(Br)c1Br)N1CCC2(CC(Br)C2)C1 2053740816 XJCSBCRIEYLTOP-UHFFFAOYSA-N 458.013 4.663 50 10 JJGE Brc1cc(I)cnc1N1CC[C@H](Br)CC12CCC2 2069527490 CEMMNOSXXWJSRW-VIFPVBQESA-N 485.989 4.735 50 10 JJGE COCc1ccccc1Cn1nc(CBr)c(I)c1C(F)(F)F 2079242371 XWPZFUOOXDDPQH-UHFFFAOYSA-N 489.073 4.596 50 10 JJGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cnn(C)c1Br 2089732485 IUHLJRXHHJSIAP-GFCCVEGCSA-N 452.972 4.746 50 10 JJGE Cc1cc(Br)c([C@H](Br)C2(S(C)(=O)=O)CCC2)cc1Br 2110396688 IPWFZXQLURUOMZ-LBPRGKRZSA-N 475.040 4.923 50 10 JJGE CC(C)[C@H]1[C@H](Cl)CCN1C(=O)c1ccc(Br)cc1I 2142279670 STGNNGLMCXTKDW-YPMHNXCESA-N 456.549 4.532 50 10 JJGE O=C(NCC[C@H]1CCC[C@@H]1Cl)c1ccc(Br)cc1I 2142282530 FMMKRNZGHUKJAV-SKDRFNHKSA-N 456.549 4.581 50 10 JJGE C[C@H]1Cc2cc([C@H](Br)c3cn(C)nc3Br)cc(Br)c2O1 2173182130 IWGLKXHFRZGKHO-MADCSZMMSA-N 464.983 4.753 50 10 JJGE ClC[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncc(I)cc1Br 2231986455 WROMBGQCAAZKSE-CDMKHQONSA-N 455.565 4.825 50 10 JJGE Cc1cc(Br)cnc1C(=O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2248978546 IGWCZNKCCVOQIL-KRWDZBQOSA-N 452.190 4.968 50 10 JJGE C[C@H](Br)[C@H]1CCCN1Cc1ccc(I)c(Br)c1 2306217674 RZHROHRAJPALPF-TVQRCGJNSA-N 472.990 4.802 50 10 JJGE Cc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2cccc(C)c2C)nc2ccccn2c1=O 2314534117 YXMQXBPZDANYJB-UHFFFAOYSA-N 450.498 4.958 50 10 JJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)c1 2314634531 FXWXBCANUCMARJ-HHHXNRCGSA-N 468.509 4.849 50 10 JJGE Cn1c(CCl)cnc1SCc1ccc(I)c(Br)c1 2325277529 RKMQTRLJMZKGDZ-UHFFFAOYSA-N 457.562 4.818 50 10 JJGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4cccc(OC)c4)cs3)CC2=O)cc1 2331246740 RDCSEQHNIZHQPO-GOSISDBHSA-N 489.553 4.841 50 10 JJGE CO[C@@H](COC1(CI)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 2336257271 XVCSTGIEVFDGIM-KRWDZBQOSA-N 475.367 4.595 50 10 JJGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2CCCS2(=O)=O)c1Br 2365238319 XNQFPFOANAHPDE-ONGXEEELSA-N 491.039 4.542 50 10 JJGE CCOc1cc([C@H]2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)cc(Br)c1O 9693604 LKZUSUIDYSCZOU-MRXNPFEDSA-N 486.391 4.773 50 10 JJGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)c1 10671083 WDBCLPXMRJTIOF-LBPRGKRZSA-N 461.996 4.681 50 10 JJGE COc1cccc(COc2ccccc2/C=N/NC(=O)[C@H](C)Oc2ccccc2Br)c1 20311551 XJKPSWSOSIVAAM-AEIQVQRHSA-N 483.362 4.954 50 10 JJGE CN(C)c1ccc(/C=N/NC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)cc1 27520058 PRGRIENKIWORKD-MFKUBSTISA-N 465.351 4.531 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OCCOCCOc1ccccc1C 33746262 TUAIWRWODACHAT-QJOMJCCJSA-N 490.556 4.685 50 10 JJGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812248 HCLMJYVKTOIYRP-TURZUDJPSA-N 484.468 4.734 50 10 JJGE CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1OC 40926766 GBVWKYQAZZDTAY-KGOILNEASA-N 486.524 4.919 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OC 59483561 RTVPXYRSJNVCLP-JYRVWZFOSA-N 482.705 4.898 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)cc2/C=C(/C#N)C(=O)Nc2nccs2)cc1OC 96438654 SUAJNASNIRSGQA-WQRHYEAKSA-N 489.532 4.757 50 10 JJGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 101336970 NWUBWLRRKPBHFC-RZZUAFPKSA-N 498.970 4.964 50 10 JJGE CC(=NNC(=O)c1ccc2c(c1)OCO2)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 254351967 XYTCVPLJYCGJNV-QGZVFWFLSA-N 493.947 4.937 50 10 JJGE Cc1ccccc1C=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 254384415 OBMXVOWDJYONMS-UHFFFAOYSA-N 488.638 4.877 50 10 JJGE CCOc1ccc(Br)cc1C=NNC(=O)COc1ccc(OCc2ccccc2)cc1 254492339 SEGAGXXUNFHCJV-UHFFFAOYSA-N 483.362 4.956 50 10 JJGE BrC[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1ccccc1I 382688969 ORXPPWJQIIRVEM-WBVHZDCISA-N 456.165 4.902 50 10 JJGE CC[C@H](C[C@@H](C)Br)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 716935470 PJEMFUYJIXOIBF-VXNVDRBHSA-N 468.038 4.986 50 10 JJGE CC[C@H](NC(=O)c1ccc(I)c(Br)c1)[C@H](Br)CC 721606700 XAUYJJQIGFCFIM-SKDRFNHKSA-N 488.989 4.736 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865705973 KYFVZXGJRSTIJM-VWLOTQADSA-N 494.551 4.848 50 10 JJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865709117 ODZKGZWFJGCBOF-HXUWFJFHSA-N 469.328 4.551 50 10 JJGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)CCC(=O)c1ccc(F)cc1 1865759306 SXISRSLKZFTLDP-UHFFFAOYSA-N 474.319 4.927 50 10 JJGE C[C@H]1CC[C@](CCl)(NC(=O)c2cc(I)ccc2Br)C1 1880882922 RMKHNYHEWGKBNW-XPTSAGLGSA-N 456.549 4.581 50 10 JJGE CCN(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CBr)c1F 1984636591 AEJSAHLNKPHCSP-UHFFFAOYSA-N 465.182 4.694 50 10 JJGE CN(C[C@H](NCCSSCCNC(=O)OC(C)(C)C)C(C)(C)C)C(=O)OC(C)(C)C 1985350104 LOLSGPJFHHCLFM-INIZCTEOSA-N 465.726 4.764 50 10 JJGE CCc1nc(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)c(Br)s1 2003569101 MQTYMJWOFLWFOO-CYBMUJFWSA-N 476.234 4.520 50 10 JJGE O=C(N[C@@H]1CCC[C@H]1CCBr)c1scc(Br)c1Br 2030115836 FDAGOFCUGSWFAO-IONNQARKSA-N 460.029 4.957 50 10 JJGE CC1(C)[C@H](Br)CC[C@H]1NC(=O)c1c(Br)cccc1Br 2142125298 DRJJIKXWNZLDGE-GHMZBOCLSA-N 454.000 4.894 50 10 JJGE CN(C[C@H]1CCC[C@H]1Cl)C(=O)c1ccc(Br)cc1I 2142289649 RZFOSPXTBHKHTD-BXKDBHETSA-N 456.549 4.533 50 10 JJGE Cn1nc([C@H](Br)c2cc(Br)cc3c2OCCC3)cc1Br 2150478588 MNUWJEUBOPNGEV-CYBMUJFWSA-N 464.983 4.754 50 10 JJGE C[C@H]1CN(S(=O)(=O)c2cc(CBr)ccc2Cl)[C@H](C)CN1Cc1ccccc1 2179784941 GANGDORRMMLEKG-JKSUJKDBSA-N 471.848 4.518 50 10 JJGE BrC[C@@H]1C[C@@H]2OCCN(Cc3cccc(Br)c3Br)[C@H]2C1 2199761125 AVYYMTNCWCYDME-BPNCWPANSA-N 468.027 4.586 50 10 JJGE CCC[C@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@@H]1CBr 2205703632 OCTOUJZIELAPFN-QWRGUYRKSA-N 470.576 4.828 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CCC[C@@H](CCBr)CC1 2283652093 PPSAEVFUGQQHCL-NSHDSACASA-N 470.576 4.972 50 10 JJGE CCCN(C[C@H](C)Br)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2288028801 WECRLGSXSFWUMX-QMMMGPOBSA-N 468.038 4.940 50 10 JJGE FC(F)(F)[C@@H]1[C@@H](Br)CCCN1Cc1sccc1I 2320972475 IMGQTSQHNGWWEY-XVKPBYJWSA-N 454.093 4.643 50 10 JJGE C=CC[C@H](Br)[C@H]1CCN1C(=O)c1cc(Br)ccc1I 2335811104 RDOULPPGWORLGY-WCQYABFASA-N 498.984 4.608 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H](CBr)C1)c1ccc(Cl)cc1I 2365586983 RTYHVEXYADDYIC-GHMZBOCLSA-N 470.576 4.876 50 10 JJGE COc1cc(-c2n[nH]c3c2[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc(OC)c1OC 985147 OUBXUSQIFXDOCN-INIZCTEOSA-N 473.316 4.627 50 10 JJGE COc1cc(OC)c(/C=N/NC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1Br 12487411 QUUXNRZRPJQCML-AFUMVMLFSA-N 488.382 4.749 50 10 JJGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccs3)ccc21 38660718 QPZCMEPATNSRGZ-HXUWFJFHSA-N 483.343 4.957 50 10 JJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C)cc3)nc3ccccn3c2=O)cc1 39992831 AGTITQRARCKYMT-CAPFRKAQSA-N 494.507 4.518 50 10 JJGE N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccc(Br)cc12)C(=O)NC[C@H]1CCCO1 59087146 KMTYEOBWUPTVCV-SYEXPRJDSA-N 482.353 4.793 50 10 JJGE Cc1cc(C)c(OCC(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c(C)c1 59166436 JDRDLFUHCDHQEE-DHRITJCHSA-N 478.461 4.750 50 10 JJGE CCOc1cc(OCC)c([N+](=O)[O-])cc1/C=N\NC(=O)c1nc(-c2ccccc2)sc1C 169927295 NHYCSULITWKIJS-QRVIBDJDSA-N 454.508 4.588 50 10 JJGE C#CCOc1ccc(Br)cc1C=NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 252601903 FDOYMJPWGWWJSV-MRXNPFEDSA-N 451.320 4.532 50 10 JJGE Cc1ccc(NCCCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2N2CCCCC2)cc1 253567072 JRFWXFMNXHDHSW-ZTKZIYFRSA-N 458.610 4.822 50 10 JJGE O=C(NN=Cc1cc(Br)ccc1OCc1c(F)cccc1Cl)c1cc(O)cc(O)c1 254850266 VEIYVMTWXMVXDY-UHFFFAOYSA-N 493.716 4.996 50 10 JJGE FC(F)(F)Oc1c(I)ccc(Br)c1CBr 575693897 CYMYEYAYXKQNMG-UHFFFAOYSA-N 459.825 4.847 50 10 JJGE COCc1cc(Br)c([C@H](Br)c2c(Br)cnn2C)s1 688093328 OZIFISZFFAHAHW-SECBINFHSA-N 459.001 4.637 50 10 JJGE C[C@@H]1CC[C@H](CBr)CN1C(=O)c1ccc(Br)cc1Br 688706290 RFLDCICKMPWBFK-NXEZZACHSA-N 454.000 4.847 50 10 JJGE C[C@@H]1C[C@@H](CBr)CN(C(=O)c2scc(Br)c2Br)C1 705463445 JFEDSZNXDIJSNU-SFYZADRCSA-N 460.029 4.766 50 10 JJGE COc1cc(C=NNC(=O)COc2ccccc2-c2ccccc2)ccc1OC(=O)c1ccncc1 916294669 CXZQCIBKTXXBAZ-UHFFFAOYSA-N 481.508 4.506 50 10 JJGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1)C12CC3CC(CC(C3)C1)C2 1083894821 LSTSVLDUNBREJF-UHFFFAOYSA-N 456.178 4.584 50 10 JJGE C#CCOc1ccc(C(=O)NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 1540693004 LCGIMRJGKGMDGT-UHFFFAOYSA-N 455.901 4.642 50 10 JJGE FC(F)COCC(CBr)(CBr)c1cccc(Br)c1 2031859061 SYRIWUGFEZTWTJ-UHFFFAOYSA-N 450.943 4.758 50 10 JJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC)C(=O)C(C#N)=C2C)c(C)c1 2040582312 GYCADMGEPHREBA-UHFFFAOYSA-N 466.541 4.859 50 10 JJGE O=C(c1scc(Br)c1Br)N1[C@H](CBr)[C@H]2CC[C@@H]1C2 2058374914 VTJRAJTXWHELNE-LKEWCRSYSA-N 458.013 4.661 50 10 JJGE O=S(=O)(c1cc(Cl)cc(CBr)c1F)N(Cc1ccccc1)CC(F)F 2059312138 GWNULZJYISILQF-UHFFFAOYSA-N 456.711 4.830 50 10 JJGE CC[C@H](C)N(CCBr)C(=O)c1ccc(Br)cc1I 2086147832 SLZHONHQEBMBMN-VIFPVBQESA-N 488.989 4.689 50 10 JJGE C[C@H](Br)[C@@H]1CCCCN1C(=O)c1cccc(Br)c1Br 2092332488 GDRPGBNERAAQAE-CABZTGNLSA-N 454.000 4.990 50 10 JJGE COCC12CC([C@H](Br)c3ccc(Br)cc3Br)(CO1)C2 2141166902 UJQXHAFPDLROQF-IYXRBSQSSA-N 454.984 4.843 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H]2C[C@H](Cl)CC[C@@H]21 2143976755 UCKYCVGQKIWMBF-UDZFHETQSA-N 468.560 4.676 50 10 JJGE CC[C@H](C)[C@H](Br)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2146588421 IVIDCNUQBLRZAC-IONNQARKSA-N 468.038 4.844 50 10 JJGE CC1(C)CCN(C(=O)c2cc(I)ccc2Br)C[C@H]1CCl 2148664607 BVFDHMURJUYZLT-SNVBAGLBSA-N 470.576 4.781 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CCC2(CC1)C[C@@H]2CBr 2150503328 LDCMPXPQUPMKAN-SNVBAGLBSA-N 466.011 4.849 50 10 JJGE Cc1nn(C)c([C@H](Br)c2cc3c(cc2Br)OCC3)c1Br 2192374981 OBUAFWZLZWXTQM-CYBMUJFWSA-N 464.983 4.673 50 10 JJGE CN(C[C@@H]1C[C@H]1Br)C(=O)c1c[nH]c2cc(Br)c(Br)cc12 2196914041 JJOKSKBFTWUPRQ-OIBJUYFYSA-N 464.983 4.548 50 10 JJGE Brc1cccc([C@H](CI)OC[C@H]2CC23CCOCC3)c1 2198365525 GCWDYMJPAKBBNO-HIFRSBDPSA-N 451.142 4.759 50 10 JJGE COc1ccc([N+](=O)[O-])cc1-c1ccc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)o1 2295157367 JNCHADWQVDBJTK-UHFFFAOYSA-N 452.430 4.567 50 10 JJGE O=C(CNC(=O)c1ccccc1Br)NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 2297710287 NNLWHIDOOLZDER-UHFFFAOYSA-N 495.160 4.896 50 10 JJGE CCOc1c(I)cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc1OC 2313518572 JQQGZPSNHMHSBF-UHFFFAOYSA-N 462.287 4.553 50 10 JJGE C[C@H](C(=O)NN=Cc1cccc(OCc2ccccc2)c1)n1cnc2sc3c(c2c1=O)CCCC3 2325902866 SVOMJDPFQQQFOP-GOSISDBHSA-N 486.597 4.627 50 10 JJGE CC(F)(F)C[C@H](CBr)NCc1cc(I)ccc1Cl 2327400739 IHDVDZHDIWFXPX-SNVBAGLBSA-N 452.508 4.843 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CC[C@@H]2C[C@@H](Br)CC[C@H]21 2365597378 GCBXAAPNLFOVJX-ISTVAULSSA-N 468.560 4.723 50 10 JJGE COc1cc(CCl)cc(OCc2cc(I)ccc2Br)n1 2367271425 OCDGZEWNIWYGDP-UHFFFAOYSA-N 468.516 4.775 50 10 JJGE Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 12492088 ZAPJRNHBGRHOMO-UHFFFAOYSA-N 473.573 4.693 50 10 JJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cccc(OCCOc2ccccc2)c1 14040904 KMCBSQRAFWPBHD-INIZCTEOSA-N 489.355 4.680 50 10 JJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1OC 38680895 JVLDJFSIIIPXGL-MUUNZHRXSA-N 498.535 4.771 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1 38685888 YXYKSHUTSVUTQS-MHZLTWQESA-N 470.525 4.905 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@H]1c1cccc2ccccc12 38688537 CCRDYMHBYAGHCS-RRPNLBNLSA-N 476.488 4.803 50 10 JJGE Cc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)c1 39993066 KRVMBCXPMAYCMJ-HMMYKYKNSA-N 450.498 4.958 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(Br)cc2F)c1[N+](=O)[O-])c1cccc2ccccc12 40658727 DGQDMHBVQKWSFE-UHFFFAOYSA-N 497.284 4.940 50 10 JJGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811853 SNXOLIAGCKOIOO-TURZUDJPSA-N 453.901 4.781 50 10 JJGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 100154540 DPZJWGVFIKPLEP-UHFFFAOYSA-N 498.649 4.580 50 10 JJGE O=C1Cc2cc([C@H](Br)c3csc(I)c3)c(Cl)cc2N1 124425290 QAQIDUFSHDTUAD-CYBMUJFWSA-N 468.541 4.985 50 10 JJGE CN(C(=O)c1cc(Br)ccc1Br)[C@@H]1CCCC[C@@H]1Br 157974408 OPLPYEHKWWTDBX-QWHCGFSZSA-N 454.000 4.990 50 10 JJGE CCOc1cc(/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCC(C)C 214308573 FUBZPLMGLZPBHX-BKUYFWCQSA-N 454.567 4.527 50 10 JJGE CC(C)(C)C[C@H](Br)CNC(=O)c1cc(Cl)ccc1I 232499150 HFDNUAKXQOBTSL-VIFPVBQESA-N 458.565 4.874 50 10 JJGE O=c1[nH]c2ccc([C@H](Cl)c3cc(Br)ccc3I)cc2[nH]1 236041027 MJRHSBNUBRVHIV-ZDUSSCGKSA-N 463.500 4.552 50 10 JJGE Cc1nn(Cc2ccccc2)c(C)c1C=NNC(=O)CN(Cc1ccccc1)Cc1ccccc1 310005099 HFROKQCQEWJCOA-UHFFFAOYSA-N 465.601 4.701 50 10 JJGE BrCc1cc(Br)ccc1N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 404132927 ALYMPBKOAFIBBH-SFTDATJTSA-N 480.244 4.824 50 10 JJGE CSc1ccc(C=NNC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 1084509640 YFVGAGYRWKMURG-UHFFFAOYSA-N 488.034 4.716 50 10 JJGE Cc1c(C(=O)Oc2ccccc2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772749845 SUMLJZSOKHEPTC-UHFFFAOYSA-N 480.336 4.797 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@H](CBr)C2(CCC2)C1 1914491299 HSDYNRODQOLNJN-JTQLQIEISA-N 466.011 4.849 50 10 JJGE O=C(Cc1cnn(Cc2ccccc2)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915264270 QOPFRYCBWADWRW-QHCPKHFHSA-N 452.396 4.676 50 10 JJGE Brc1cc2c(cc1[C@@H](Br)c1csnc1Br)OCCO2 1925251130 SBVWFSQQGAIKSY-LLVKDONJSA-N 469.980 4.924 50 10 JJGE C[C@H](NCCSSCCNC(=O)OC(C)(C)C)C1CCC(NC(=O)OC(C)(C)C)CC1 2010824766 ABFHKFBOVHMPRQ-AOCRQIFASA-N 477.737 4.954 50 10 JJGE CNC(=O)C(NC(=O)c1ccccc1)=C(Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2052963860 QIUFDKAJAUKDKT-UHFFFAOYSA-O 499.958 4.564 50 10 JJGE FC(F)c1cc(I)c(I)cc1CBr 2060238741 QITXNVDMCQROET-UHFFFAOYSA-N 472.836 4.728 50 10 JJGE O=C(c1scc(Br)c1Br)N1CC[C@@H](Br)[C@@H]1C1CC1 2067019157 BVGPZCIBLCCHDK-XCBNKYQSSA-N 458.013 4.661 50 10 JJGE Cc1c(Br)ccc([C@H](Br)C2(S(C)(=O)=O)CC2)c1Br 2083341436 ZCAQWKSLWOIPMP-NSHDSACASA-N 461.013 4.533 50 10 JJGE CN([C@@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(Br)c(CCl)c1 2100206640 FNYCVSDWUULNJT-MOPGFXCFSA-N 458.805 4.556 50 10 JJGE O=C(c1sccc1I)N1CCC[C@@H]2CC[C@@H](Br)C[C@H]21 2110690156 MQFMXSVNPKFYJW-CKYFFXLPSA-N 454.171 4.521 50 10 JJGE CC1(C)CC[C@H](CBr)N1C(=O)c1cccc(Br)c1Br 2140846501 MHEVUTGAGRVHMT-SECBINFHSA-N 454.000 4.990 50 10 JJGE O=C(NC[C@H]1C[C@@H](Cl)C12CCC2)c1cc(Br)ccc1I 2172230975 GPJABYANLUQURX-NOZJJQNGSA-N 468.560 4.581 50 10 JJGE CC(C)(C)OC(=O)N1CCN(Cc2ccc(CBr)cc2)C[C@H]1CC(F)(F)F 2182846144 ZYJWGFYTLLRJKX-MRXNPFEDSA-N 451.327 4.955 50 10 JJGE CN(C1(CCBr)CC1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2190077171 UXFUDIBWWDGQOG-UHFFFAOYSA-N 466.022 4.694 50 10 JJGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)Cc1ccccc1Br 2210632710 HQAXRORWORJJEX-CQSZACIVSA-N 461.219 4.565 50 10 JJGE Br[C@@H](c1cc(I)sn1)c1ccc([C@H]2CCOC2)s1 2223721822 CYZAAMWKUQKVAQ-MADCSZMMSA-N 456.168 4.797 50 10 JJGE CCN(C(=O)c1cc(Br)ccc1Br)[C@H]1CCC[C@@H]1Br 2224417863 BRNMKWYUBAYGEZ-STQMWFEESA-N 454.000 4.990 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC[C@H]1CC(F)(F)C12CCC2 2247315280 BUAJGIGUNFWZOU-DOMZBBRYSA-N 459.315 4.547 50 10 JJGE C#CCOc1c(Br)cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OCC 2313556062 KWTVCVQRJJQBTB-UHFFFAOYSA-N 492.373 4.607 50 10 JJGE C[C@@H]1CN(Cc2ccc(I)c(Br)c2)CC[C@@H]1CBr 2325225464 GCOLUWVVWJYLSI-ZYHUDNBSSA-N 487.017 4.907 50 10 JJGE COc1cc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc1OCc1ccc(C)cc1 2328796668 RJCDCIGRPMXUGV-QFIPXVFZSA-N 483.609 4.972 50 10 JJGE CC(C)[C@H](Cl)C(C)(C)NC(=O)c1ccc(Br)cc1I 2340396939 XKDUSJDDSVLUBN-LBPRGKRZSA-N 458.565 4.826 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@H]2CC[C@H](Br)[C@@H]1C2 2355760446 GJCQPINRXKQPQQ-IIMNLJJBSA-N 466.011 4.990 50 10 JJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cn[nH]c2-c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 35516567 FZPWTJYMBCQBSV-GDNBJRDFSA-N 491.529 4.648 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@H]1c1ccc(Br)cc1 38651589 OGOCLCCYLNFPOZ-HSZRJFAPSA-N 495.304 4.791 50 10 JJGE Cc1ccnc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)c1 40812946 JMKUTCIUOFZTKX-WPWMEQJKSA-N 481.350 4.777 50 10 JJGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 101234427 PSWMZPAVHAMSFQ-CRRKTRLDSA-N 470.407 4.879 50 10 JJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C1=O 101335871 VSDKHDHOVGMCIN-KOEQRZSOSA-N 496.567 4.567 50 10 JJGE C[C@H]1CC[C@H](CBr)CN1C(=O)c1cc(Br)c(Br)s1 688645291 PUZCWYRWTFUWLR-JGVFFNPUSA-N 460.029 4.909 50 10 JJGE CC1(C)CC[C@H](CBr)N(C(=O)c2ccc(I)c(Cl)c2)C1 701598129 WQLNNLFGAYEGMD-LLVKDONJSA-N 470.576 4.970 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)OCc2cccc(Br)c2)c(-c2ccccc2)n1 761418470 YJYVUXYTBXWDTJ-CPNJWEJPSA-N 461.319 4.877 50 10 JJGE COc1ccccc1NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C 786604830 BKGTXBRUXBJIEE-SQVRNEIYSA-N 461.493 4.719 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)N2CCC(CC(=O)NC3CCCC3)CC2)c(C)n1-c1ccc(F)cc1 920031904 CSDIYOOQAOXMCU-QJOMJCCJSA-N 476.596 4.828 50 10 JJGE C#CCCCC(=O)NNC(=O)Nc1cc(Cl)ccc1Oc1cccc(Br)c1 1218076231 NRFJPSLNZFQVPC-UHFFFAOYSA-N 450.720 4.851 50 10 JJGE CC(=O)c1cc(C(=O)NNC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)ccc1OC(C)C 1624162596 QKNBOWNWIBNTHY-SFHVURJKSA-N 456.608 4.964 50 10 JJGE CC(=O)c1cc(NC(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)ccc1C 1672651030 GKKXHDOXCLJABF-UHFFFAOYSA-N 451.910 4.897 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc(C)cc2)cc(Br)c1OCc1ccccc1 1772754086 NUOPGJIPYVFHEL-UHFFFAOYSA-N 483.362 4.874 50 10 JJGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865693217 SVWPVSPWVYPSFL-XMMPIXPASA-N 452.514 4.823 50 10 JJGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(C(C)(C)C)C3)n2)cc1Cl 1872756695 WDMPTNQEPBKPDD-KMCFQHSYSA-N 461.971 4.920 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 1873793278 GUDIDUFKJLTDRK-YYHBXHNPSA-N 457.958 4.769 50 10 JJGE C[C@@H](Br)[C@@H](NC(=O)c1ccc(Br)cc1Br)C(F)(F)F 1882651605 KQRXJKKDFGZNFT-MLUIRONXSA-N 467.905 4.656 50 10 JJGE O=C(NC[C@H]1CCCC2(CCC2)[C@H]1Br)c1csc(I)c1 1924848566 ZGGJUOKLXMFWMM-MFKMUULPSA-N 468.198 4.816 50 10 JJGE BrCc1cc(Br)cc(Br)c1OCCc1cccnn1 2090028525 LQUHCRDCIVTNEB-UHFFFAOYSA-N 450.956 4.518 50 10 JJGE ClCc1nc2cc(I)ccc2n1[C@H]1CCOC[C@H]1OCc1ccccc1 2090340203 OWKWIEWNHJJXLH-RBUKOAKNSA-N 482.749 4.927 50 10 JJGE C[C@H]1C[C@H](Br)CCN(C(=O)c2cc(Cl)ccc2I)C1 2103288842 VLKJLBOCZLGJRH-VHSXEESVSA-N 456.549 4.580 50 10 JJGE C[C@@H](CCCCCCl)NC(=O)c1cc(I)ccc1Br 2117894900 NSDQPXSZFRZFEF-JTQLQIEISA-N 458.565 4.971 50 10 JJGE CC1(C)CCN(C(=O)c2cc(Cl)ccc2I)C[C@@H]1CBr 2148653374 MGOVYCIXLJGXSN-JTQLQIEISA-N 470.576 4.828 50 10 JJGE CN([C@@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1ccccc1CBr 2179812180 PFTCRHJKZNBBJP-QUCCMNQESA-N 452.414 4.586 50 10 JJGE O=C(N[C@@]1(CBr)C[C@H]2CC[C@H]1C2)c1cc(Br)sc1Br 2268626403 MJIYTHWSJGVVIF-UVPNAGLESA-N 472.040 4.957 50 10 JJGE COc1ccc([C@@H](Br)c2cccc(OC)c2F)cc1I 2285011367 TVFVLDZZCOAVNR-CQSZACIVSA-N 451.073 4.932 50 10 JJGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 2296835039 PSCPCJIHRJWPLW-DEOSSOPVSA-N 489.547 4.750 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)c1OC 2314634692 ZTDPGTWCARABQS-VWLOTQADSA-N 454.482 4.541 50 10 JJGE BrC[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(I)c(Br)c1 2325203920 KBIMHLAYZBNDSE-WDMOLILDSA-N 485.001 4.802 50 10 JJGE COc1ccc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1OCc1ccccc1 2328824648 DVSUKMLYPIVONB-NRFANRHFSA-N 469.582 4.664 50 10 JJGE COc1cc(F)c(Br)cc1[C@H](Br)c1c(Br)nc(C)n1C 2362483975 WLXFKLVSRUEZAE-NSHDSACASA-N 470.962 4.886 50 10 JJGE CCCCOc1ccc(C(=O)NNC(=O)COc2cccc3ccccc23)cc1Br 14041285 IZWFPNDIESCEJY-UHFFFAOYSA-N 471.351 4.621 50 10 JJGE CC(C)CCOc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OC(C)C)cc1 14668081 NDHMOCRGIMQBLS-UHFFFAOYSA-N 463.372 4.736 50 10 JJGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3cccc4ncccc34)c(C)c21 40813238 UUPDSVHHCOJKQW-MWAVMZGNSA-N 468.513 4.868 50 10 JJGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1/C(=N/NC(N)=O)CCC2 40824400 JMRRWKJQIPGDAN-JVWAILMASA-N 452.898 4.995 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1 58892778 AKAWZGXFTFSQES-ODDBZWQPSA-N 470.909 4.661 50 10 JJGE O=C(N/N=C/c1ccccc1OCc1cccc(Br)c1)c1ccc(N2CCCC2=O)cc1 59507864 BFTXVSLDRBVMIE-JVWAILMASA-N 492.373 4.919 50 10 JJGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1 206433020 SRSIATLZKZBTPV-ZABCAIROSA-N 472.497 4.529 50 10 JJGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccc(N)cc1Cl 217251203 MRUXPBOPWBJSTD-QOCHGBHMSA-N 471.992 4.675 50 10 JJGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C(F)(F)F)cc3)nnc2-c2ccncc2)cc1 254814718 UBVYRMLXSJARRG-UHFFFAOYSA-N 496.518 4.899 50 10 JJGE C[C@H]1CCCN(C(=O)c2cc(Br)c(Br)s2)[C@@H]1CBr 688625475 VZGGQVPSKLOOSV-IONNQARKSA-N 460.029 4.909 50 10 JJGE CSc1sc(SC)c(C=NNC(=O)Cc2ccccc2)c1C=NNC(=O)Cc1ccccc1 1084506135 LRELMDRSFFEMDS-UHFFFAOYSA-N 496.683 4.578 50 10 JJGE Cc1ccc([N+](=O)[O-])cc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 1614640523 ZCORGIAYUUXTSC-VQIMIIECSA-N 480.302 4.690 50 10 JJGE C#Cc1cccc(NC(=S)NNC(=O)c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)c1 1637294889 DMUUCYJJUIAXSG-UHFFFAOYSA-N 456.358 4.745 50 10 JJGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1cccc(Cl)c1 1865694151 UUCIAVMEVAOLJF-OAQYLSRUSA-N 450.926 4.519 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1OC 1865695055 ILMHZMMGKILFKG-QHCPKHFHSA-N 465.513 4.560 50 10 JJGE CCOc1cc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)ccc1OCc1ccccc1 1873794041 RTYHFTSKOSRTPH-MUFRIFMGSA-N 486.524 4.608 50 10 JJGE CCNCc1cc(Br)c(OCC2CC(Br)C2)c(Br)c1 1887832382 DQMXTTBPQCEWHF-UHFFFAOYSA-N 456.016 4.873 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCCCCCC(F)(F)F)C1 1900521305 WBPYXHSKSRTLPJ-VXGBXAGGSA-N 451.267 4.549 50 10 JJGE COc1cc(C)c([C@@H](Br)c2nn(C)cc2Br)cc1Br 1901695159 DCMZYTAGFUVIIM-GFCCVEGCSA-N 452.972 4.746 50 10 JJGE CC(C)[C@H](CCl)N(Cc1ccccc1)C(=O)c1cc(I)ccc1O 1915289142 QCZPQHTWLZTZRR-KRWDZBQOSA-N 457.739 4.903 50 10 JJGE Cc1cc(Br)ccc1C(=O)N(C)C[C@H](Br)COCc1ccccc1 1916389652 VTXZPAVQGKPCNP-KRWDZBQOSA-N 455.190 4.810 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(Br)c(Cl)s1 2010829458 WOEBQKOWUQVMII-UHFFFAOYSA-N 475.883 4.800 50 10 JJGE CC[C@H](Br)[C@@H]1CCCCN1c1ncc(I)cc1Br 2069528904 MTBACFNDMKIPNU-JQWIXIFHSA-N 488.005 4.981 50 10 JJGE CC1(C)C[C@H](CBr)N(C(=O)c2ccc(I)c(Cl)c2)C1 2094749063 GGYJZNFUSCKFQK-SNVBAGLBSA-N 456.549 4.580 50 10 JJGE CC1(C)C[C@H](Br)CCN1C(=O)c1cc(Br)ccc1Br 2113586384 NJTMMERNOODOKX-SNVBAGLBSA-N 454.000 4.990 50 10 JJGE O=C(NC[C@@H]1CCCC[C@@H]1Cl)c1ccc(Br)cc1I 2142284401 BQIJQDUCZLUFAZ-CABZTGNLSA-N 456.549 4.581 50 10 JJGE COCc1cc(Br)c([C@@H](Br)c2ccsc2S(C)(=O)=O)s1 2150558208 WEFRGFWQLNHUDD-JTQLQIEISA-N 460.234 4.606 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@@H](CCl)[C@@H](C(F)(F)F)C1 2163345152 GECBYHAWTFZOPE-VDTYLAMSSA-N 455.521 4.762 50 10 JJGE CCc1ccc(CBr)cc1S(=O)(=O)N(C)[C@@H]1CC[C@H]1OCc1ccccc1 2179857870 GADAPKFPKDWJAG-WOJBJXKFSA-N 452.414 4.512 50 10 JJGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2c(Oc3ccccc3C)nc3ccccn3c2=O)c1 2314533659 SRQOKQAJZMNVIM-UHFFFAOYSA-N 450.498 4.958 50 10 JJGE FC(F)(F)C[C@H](CBr)NCc1ccc(Cl)c(I)c1 2315553147 ODBZXKSMXWBAEB-MRVPVSSYSA-N 456.471 4.750 50 10 JJGE C[C@H](C(=O)Oc1ccc(C=C(C#N)c2cccc(Cl)c2)cc1)N1C(=O)c2ccccc2C1=O 2320506322 HESQJRNCFHNPLV-MRXNPFEDSA-N 456.885 4.994 50 10 JJGE CC(C)(CI)CN1C[C@H](CNC(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 2351617316 DBWRCMRKHJISKF-ROUUACIJSA-N 472.411 4.688 50 10 JJGE O=C(NC[C@@H]1CCCC[C@@H]1CBr)c1ccc(Cl)cc1I 2365586194 JIFOJURETCBGIP-MNOVXSKESA-N 470.576 4.876 50 10 JJGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1Cl 14036146 NFGJEKPXRXMHAC-UHFFFAOYSA-N 454.379 4.512 50 10 JJGE CC(=O)Nc1sc(/C(C#N)=C\c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)nc1-c1cccs1 34983049 PCXLIYVGSOCNTM-PTNGSMBKSA-N 496.595 4.802 50 10 JJGE COc1cc(/C=C(/C#N)S(=O)(=O)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 35191401 WKCKKRRCDIERDA-BKUYFWCQSA-N 450.472 4.521 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)c(OC)c1 38656964 MWBPCKXCCLFEDC-VWLOTQADSA-N 492.915 4.560 50 10 JJGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1Nc1ccc(Br)cc1 40782270 SOLJSOUPZLALDX-UHFFFAOYSA-N 468.142 4.629 50 10 JJGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2)c1cccc(C)c1 40814625 YNUSHNVDPUCJMT-XAYXJRQQSA-N 488.544 4.871 50 10 JJGE O=C(COc1ccc(-c2ccccc2)cc1Br)N/N=C/c1ccc([N+](=O)[O-])cc1 40902780 JCLFDFQKIIBICR-YDZHTSKRSA-N 454.280 4.553 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)cc(C)c1 40929709 JTEDRXARAYQMGS-FYJGNVAPSA-N 474.513 4.503 50 10 JJGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 58886503 PQQDZJSAYHCWHY-WCFTWNFSSA-N 477.517 4.536 50 10 JJGE CCCCCCOc1ccccc1C(=O)/C=N\NC(=O)CSc1nc2ccccc2n1C 169876339 UVKPDSBDGSJHBD-XYGWBWBKSA-N 452.580 4.609 50 10 JJGE Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 208363648 HFTUOXQDKAXKSE-KJCUYJGMSA-N 488.613 4.871 50 10 JJGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)C1=O 214260777 CATTZHPFHBXEKX-NQRZERFFSA-N 481.512 4.838 50 10 JJGE CC(C)[C@H](NC(=O)COc1ccc2ccccc2c1)C(=O)NN=Cc1ccc(C(C)(C)C)cc1 252627943 SEQRKWRFGOQOGQ-SANMLTNESA-N 459.590 4.807 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2c(F)cccc2F)C1 382694157 SDQHZAXZQYDOSQ-HUUCEWRRSA-N 457.258 4.752 50 10 JJGE C[C@@H]1[C@@H](Br)CCCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 384436920 FBONNWSTMZWXRJ-APPZFPTMSA-N 466.022 4.692 50 10 JJGE BrCc1cc(Br)cc(Br)c1OCCc1cnccn1 402898742 JZIWBYLJZOQGNP-UHFFFAOYSA-N 450.956 4.518 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1O 1084118370 HZUZMRVRCJYYOI-OVCLIPMQSA-N 462.287 4.558 50 10 JJGE C=CCOc1cccnc1C(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 1349344218 ATWFCORHUSRKLP-UHFFFAOYSA-N 453.951 4.667 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](c2ccccc2OC(F)(F)F)[C@@H](CI)C1 1614622243 KHLXGTFWTKPADK-AAEUAGOBSA-N 471.257 4.971 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)cc1O 1865681416 MVDSZQZIBNZTMC-JOCHJYFZSA-N 470.916 4.881 50 10 JJGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688589 VVVKTTJHGYOVDZ-XMMPIXPASA-N 452.514 4.823 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccccc1C(=O)O)C(C#N)=C(N)O2 1865703972 JTDNHAHMGXXUHJ-IBGZPJMESA-N 479.334 4.504 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc(OC)c1O 1865715098 WAYZHOCRZVPKBA-HSZRJFAPSA-N 498.514 4.678 50 10 JJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCc2c[nH]c3ccccc23)cc1 1866571043 HULMIJLMPWETDY-RUZDIDTESA-N 484.581 4.745 50 10 JJGE COc1cccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c1 1872744098 GSBWYRZLISMBLE-VZCXRCSSSA-N 490.497 4.596 50 10 JJGE CCc1nn(C)c(CN(Cc2ccccc2)[C@@H](CBr)C2CC2)c1Br 1915217340 OTTRCLAEDGPBEN-KRWDZBQOSA-N 455.238 4.921 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@@]2(CCC[C@H]2Br)C1 1918939149 NLELADGOJJFSON-HIFRSBDPSA-N 468.560 4.724 50 10 JJGE FC1(F)[C@@H]2COC[C@]21[C@H](Br)c1sc(Br)cc1Br 1998632457 WEDKINGKANNISR-JISRMSBWSA-N 452.940 4.991 50 10 JJGE C[C@H](NC(=O)c1scc(Br)c1Br)[C@@H]1CCC[C@@H]1Br 2048884724 GWUIBBKVTWMNPZ-FXQIFTODSA-N 460.029 4.955 50 10 JJGE C[C@H]1C[C@@H](Cl)CCN(C(=O)c2ccc(I)c(Br)c2)C1 2103287703 QKDTYLATDWNHNK-ONGXEEELSA-N 456.549 4.533 50 10 JJGE CCc1nc(C(=O)N[C@@H](C)CCCCCI)c(Br)s1 2117882744 QHABTDXECWPFRB-VIFPVBQESA-N 459.191 4.582 50 10 JJGE Cc1cc(I)cc(-n2c(CCl)nc3cncc(Br)c32)c1 2151790666 QUJQFGWHUXEFAW-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N(Cc1ccccc1)C[C@H]1CCCO1 2152214361 DIGHZZDUJPKSJK-GOSISDBHSA-N 472.832 4.866 50 10 JJGE CCc1ccc(CBr)cc1S(=O)(=O)N(C)[C@@H]1CC[C@@H]1OCc1ccccc1 2179857868 GADAPKFPKDWJAG-UXHICEINSA-N 452.414 4.512 50 10 JJGE Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2CCBr)ccc1I 2207095122 BLVQGYIRVDRRMH-SWLSCSKDSA-N 450.158 4.673 50 10 JJGE Cn1nc(Br)c(CC(CBr)(CBr)c2ccccc2Cl)n1 2235292197 DGJFLWOVZDBAQI-UHFFFAOYSA-N 486.433 4.501 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](OC2(C)C3CC4CC(C3)CC2C4)[C@H](I)C1 2259088832 PUXAXOXNRVOHIW-FVOCXAOSSA-N 461.384 4.641 50 10 JJGE CC[C@@H](Br)CN(C(=O)c1ccc(Cl)c(I)c1)C1CC1 2268348066 CAWVPSJKRLDZAO-SNVBAGLBSA-N 456.549 4.723 50 10 JJGE C[C@@]1(CNC(=O)c2cc(Br)ccc2Br)CCC[C@H]1Br 2271297524 BHNALXMMYFEAIY-OCCSQVGLSA-N 454.000 4.895 50 10 JJGE CC(C)(C)OC(=O)NCc1c(Cl)cccc1NS(=O)(=O)CCC(CCl)CCl 2283901855 SXYKOPRRAOMVBC-UHFFFAOYSA-N 459.823 4.590 50 10 JJGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OC 2297551485 NGNUONPCIMRSNQ-UHFFFAOYSA-N 466.675 4.574 50 10 JJGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593914 VXNCJDPKTRZXQJ-XMMPIXPASA-N 487.581 4.648 50 10 JJGE COc1c(Cl)cc(CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2Br)cc1Cl 2317894249 WFVMOPYOQOBSRW-FZMZJTMJSA-N 455.176 4.901 50 10 JJGE C[C@@H](C(=O)Oc1cccc(C=C(C#N)c2ccc(Cl)cc2)c1)N1C(=O)c2ccccc2C1=O 2320511479 XXSZQMHRPKFFFG-INIZCTEOSA-N 456.885 4.994 50 10 JJGE C[C@@H]1[C@H](Br)CCN(C(=O)c2cc(Br)sc2Br)[C@@H]1C 2321284635 HITCQJRGNVDOEJ-LKEWCRSYSA-N 460.029 4.907 50 10 JJGE Cc1cc(=O)oc2cc(OCC(=O)NN=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)ccc12 2328804148 YFXMAZDYLQAJLN-UHFFFAOYSA-N 464.562 4.931 50 10 JJGE CS(=O)(=O)C1([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)CC1 2337096460 DPYDMOYYQRPBIP-SNVBAGLBSA-N 454.970 4.861 50 10 JJGE Fc1cncc(OCc2cc(I)ccc2Br)c1CCl 2341552204 LTGJHAKGOWGZMJ-UHFFFAOYSA-N 456.480 4.906 50 10 JJGE COc1ccccc1/C=C\C=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1 4456295 LBWRXFBODMFKNZ-CGZGEQNDSA-N 484.581 4.610 50 10 JJGE CCCCCOc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 14035783 XZIQPMWXLNEZBN-UHFFFAOYSA-N 459.546 4.891 50 10 JJGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)c1 14661682 KZDCFSQGSJWPPV-UHFFFAOYSA-N 481.637 4.844 50 10 JJGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2OC)cc1 38658879 LYMJYYOTPOGMFA-RUZDIDTESA-N 484.508 4.706 50 10 JJGE CCOc1ccc(N(C(=O)/C(C#N)=C/c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 40977765 OZWRXSMSLCGTGC-HEHNFIMWSA-N 476.554 4.731 50 10 JJGE Cc1cc2ncn(CC(=O)N/N=C3/C(=O)N(Cc4cccc5ccccc45)c4ccccc43)c2cc1C 59147116 JLAQGSSIXISLDJ-XPXRSFDGSA-N 487.563 4.874 50 10 JJGE N#C/C(=C\Nc1cc(C(F)(F)F)ccc1F)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 107624951 OZBUXUHUVVVMSU-UKTHLTGXSA-N 454.323 4.994 50 10 JJGE Cc1nn(C)c(CC(CBr)(CBr)C2CCCC2)c1Br 128738224 BIQAUDQHYDQPCT-UHFFFAOYSA-N 457.048 5.000 50 10 JJGE CCC(CBr)(CBr)NC(=O)c1cccc(Br)c1Cl 232862600 SORNJHFSXJDKAC-UHFFFAOYSA-N 462.407 4.771 50 10 JJGE COc1ccc(Cl)cc1[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CI 382689473 HQKCKHDKPWRSON-FZMZJTMJSA-N 451.732 4.734 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccc(Br)cc2F)C1 382690359 HYRUVILTUPPHHI-GXFFZTMASA-N 484.147 4.974 50 10 JJGE C[C@@H]1[C@H](Cl)C[C@H]2CC[C@H]1N2C(=O)c1cc(I)ccc1Br 686179288 ZIAYOVDTEZXXFS-KNJXUWEQSA-N 468.560 4.674 50 10 JJGE CC[C@@H]1[C@@H](CBr)CCN1C(=O)c1scc(Br)c1Br 705423058 CWNAYXHGYQQONI-VXNVDRBHSA-N 460.029 4.909 50 10 JJGE CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)NNC(=O)c1cccc2cccnc12 725867341 WWARDAITGHNFQP-UHFFFAOYSA-N 457.534 4.589 50 10 JJGE Cc1ccc(N(CC(=O)NN=Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084112311 ZOMBUUGJJBMVMG-UHFFFAOYSA-N 476.385 4.647 50 10 JJGE CCOc1cc(C=NNC(=O)c2ccncc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084284415 SAXNNNURZJMZFY-UHFFFAOYSA-N 474.395 4.964 50 10 JJGE C=CCc1cc(C=NNC(=O)c2cc(Br)cc(Br)c2O)cc(OCC)c1O 1084646242 ABUMTPGZKGTFRQ-UHFFFAOYSA-N 498.171 4.514 50 10 JJGE C=CCOc1ccccc1CN(CC(=O)NNC(=O)c1ccc(C)cc1)c1ccc(C)c(C)c1 1473266818 XIUVWRZMOLTALQ-UHFFFAOYSA-N 457.574 4.644 50 10 JJGE COc1cc(C=NNC(=O)COc2ccccc2Br)ccc1OCc1ccc(C)cc1 1772754166 CYBXEDWBNTXVRE-UHFFFAOYSA-N 483.362 4.874 50 10 JJGE CCOc1cc(OCC)cc(C(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)c1 1860822636 JRCLZLLRRYBPSB-COOPMVRXSA-N 477.948 4.818 50 10 JJGE CC[C@](C)(NC(=O)C[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866734064 ACONQKGGAUKBOE-LVXARBLLSA-N 479.602 4.838 50 10 JJGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OC(=O)c4ccc(F)cc4)cc3)nc2c1 1872727586 LTYWTEOOZZPAMB-LDADJPATSA-N 469.428 4.544 50 10 JJGE C[C@H]1CC[C@](CBr)(NC(=O)c2cc(Br)ccc2Br)C1 1880940106 TZJMYCPGZXLCLC-XPTSAGLGSA-N 454.000 4.895 50 10 JJGE O=C(NCC[C@@H]1CCC[C@H]1Br)c1c(Br)cccc1Br 1913756352 XNTBOPSNLRDZEP-VHSXEESVSA-N 454.000 4.895 50 10 JJGE O=C(c1sccc1I)N1CCC[C@@H]2CC[C@H](Br)C[C@H]21 2110690158 MQFMXSVNPKFYJW-JFGNBEQYSA-N 454.171 4.521 50 10 JJGE C=CC[C@](C)(CBr)CNC(=O)c1cc(Br)cc(Br)c1 2137192488 LNGOHPNFWZKOHY-CQSZACIVSA-N 454.000 4.919 50 10 JJGE Cn1ncc(Br)c1CC(CBr)(CBr)c1cccc(F)c1 2143635866 WBPZZUHEVHDTAW-UHFFFAOYSA-N 468.990 4.592 50 10 JJGE Brc1ccccc1[C@@H](CI)OCC12CCC(CC1)OC2 2203669921 OQMYSPKIGNHHKR-DSSZZKGTSA-N 451.142 4.901 50 10 JJGE O=C(N[C@H](CCl)C1CCCCC1)c1ccc(Br)cc1I 2207271766 LBSXRAJCCVMRQH-CQSZACIVSA-N 470.576 4.971 50 10 JJGE CC[C@@H](C)[C@@H](CI)NC(=O)c1cc(Br)c(F)cc1Cl 2270438118 NZMPZCCQLCYUGD-JMCQJSRRSA-N 462.528 4.821 50 10 JJGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccc(Cl)cc3)c(Oc3ccccc3F)nc12 2296720882 MVKCTRWGFMXBPS-UHFFFAOYSA-N 495.919 4.926 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cccc(C(C)C)c1 2314737839 YETVLXSKZXPLKM-UHFFFAOYSA-N 474.513 4.619 50 10 JJGE Cc1cc(I)ccc1NC=C(C#N)C(=O)Nc1ccc(Br)cc1 2324084487 NGILDTDJSAJEGD-UHFFFAOYSA-N 482.119 4.820 50 10 JJGE N#CC(=CNc1ccc(N)c(Cl)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324602987 MVQQVZQAFWECTO-UHFFFAOYSA-N 471.992 4.675 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H]2CC[C@H]1[C@@H](Br)C2 2325288542 ABAQHGLIIXDIMQ-XVYDVKMFSA-N 458.013 4.661 50 10 JJGE COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccccc2C)nc2c(C)cccn2c1=O 39858904 VDICSICBHNQJDZ-CYVLTUHYSA-N 466.497 4.658 50 10 JJGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccccc1C#N 58891809 SSTHSOIAEGNPHM-UAWDSHSBSA-N 453.542 4.830 50 10 JJGE CC(C)Cc1ccc([C@H](C)C(=O)N/N=C2\C(=O)N(CCOc3ccccc3)c3ccccc32)cc1 59148815 HTNOFXSXAVPGIW-PQALGGACSA-N 469.585 4.935 50 10 JJGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)C1=O 101335278 ANJGBPWWMXPBIX-PCLIKHOPSA-N 496.567 4.565 50 10 JJGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCOC)c(C)c1 102835777 XFDBZFISUTVQPT-FXBPSFAMSA-N 458.562 4.696 50 10 JJGE CC[C@@H](C)NC(=O)c1cc2ccc(OC(=O)/C(C#N)=C\c3ccc(C(C)C)cc3)cc2oc1=O 206543170 GTSSUDSYFGNWGR-CTPANLQCSA-N 458.514 4.957 50 10 JJGE CC(C)(CCBr)CNC(=O)c1cc(I)ccc1Br 227912107 AGNIKVWSOWCLGL-UHFFFAOYSA-N 488.989 4.595 50 10 JJGE COc1ccc(C(=O)Oc2cc(C=NNC(=O)c3ccc4ccccc4c3)ccc2OC)cc1 252610079 HZAWEWZIOOOGKT-UHFFFAOYSA-N 454.482 4.840 50 10 JJGE CCOc1cc(C=NNC(=O)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)c1ccccc1 254288040 KYUNYIYGNIBHRN-UHFFFAOYSA-N 481.508 4.547 50 10 JJGE COc1ccc(OCC(=O)NN=Cc2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1 254302235 DJMLUOMJZDYFLL-UHFFFAOYSA-N 468.509 4.905 50 10 JJGE CCOc1cc(C=NNC(=O)COc2c(C)cccc2C)ccc1OC(=O)c1ccc(C)cc1 254477930 ADFYRCKXZCWOSM-UHFFFAOYSA-N 460.530 4.759 50 10 JJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cccc(C)c3)cc2OC)cc1 254624111 OADJUNUUPJWWLO-UHFFFAOYSA-N 490.556 4.931 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=C/C=C\c3ccco3)n2-c2ccc(C)cc2)cc1 254896865 YPAYYSGACJUCIS-WYCVUTMGSA-N 473.558 4.752 50 10 JJGE CCOc1ccccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382698343 YSCRUGYIRRPXTD-IEBWSBKVSA-N 465.331 4.873 50 10 JJGE FC(F)(F)Oc1c(Br)ccc(I)c1CBr 575695401 MYVDDJWNEUEQLS-UHFFFAOYSA-N 459.825 4.847 50 10 JJGE C[C@H]1CN(c2ncc(C(F)(F)F)cc2I)C[C@@H](C)[C@@H]1Br 686112985 XIEWHJRSHJVFTO-VROVMSAKSA-N 463.079 4.561 50 10 JJGE CC1(C)C[C@H](Cl)C[C@H](NC(=O)c2ccc(I)c(Br)c2)C1 721620639 LWBGDKHHUKCWAD-MNOVXSKESA-N 470.576 4.970 50 10 JJGE CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1Br 1083972610 QIGFPTKUSOLMKQ-OVCLIPMQSA-N 477.742 4.899 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccccc1Cl 1084244844 UBKRSXGJWYVGBG-UHFFFAOYSA-N 473.758 4.599 50 10 JJGE N#CC1=NN(c2ccccc2)[C@H](c2ccccc2)C2=C1OC(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])cc1 1088670205 OGXLMZAMDHFHEG-ILBGXUMGSA-N 474.480 4.798 50 10 JJGE CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)CC1 1521063581 IFJKBBNCXCMHCO-PKVQIGPHSA-N 452.643 4.698 50 10 JJGE CCN(CC)c1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CBr)c(O)c1 1614706579 WGCPMKYLIIJLRW-RXVVDRJESA-N 461.400 4.986 50 10 JJGE BrC[C@H](CN1CCc2cc(Br)c(Br)cc2C1)C1CC1 1655167364 FOMAQWLZGVFNNX-CYBMUJFWSA-N 452.028 4.991 50 10 JJGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cc(C)ccc4OC)c(C)c32)c1 1772749876 QROYSRXGFHSDBM-UHFFFAOYSA-N 461.518 4.636 50 10 JJGE CC(C)c1ccc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858684047 MTOBOYYRVORTFI-UHFFFAOYSA-N 468.441 4.881 50 10 JJGE Cc1ccc(-c2csc3ncn(CC(=O)N/N=C/c4cccc(Cl)c4Cl)c(=O)c23)cc1 1860772658 DWAJYISCZMPXJQ-JQAMDZJQSA-N 471.369 4.891 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cccc(O)c1)C(C#N)=C(N)O2 1865681230 IFOICSPRXGXRKA-IBGZPJMESA-N 451.324 4.511 50 10 JJGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865705805 GJVJDIIOAYVCSN-XMMPIXPASA-N 480.524 4.789 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865706623 AXMZMTNLXZOAJC-QFIPXVFZSA-N 482.943 4.912 50 10 JJGE COc1ccc(/C=C(\C#N)C(=O)N[C@H](CC(C)C)C(=O)Nc2ccc3ccccc3c2)cc1OC 1866131822 PHJUSHXRMJYOHS-MGSPXPDISA-N 471.557 4.934 50 10 JJGE CC[C@](C)(NC(=O)[C@@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866701301 JMFAPLJXPWLFHB-OZXSUGGESA-N 458.587 4.905 50 10 JJGE Cc1c(Br)csc1C(=O)N[C@@H](CCBr)COCc1ccccc1 1902793112 RRXQAZAZHWWWTI-AWEZNQCLSA-N 461.219 4.919 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)CCc1ccc(Br)cc1F 1905342441 IZNBBDURYBIXAL-ZDUSSCGKSA-N 455.121 4.581 50 10 JJGE Cc1cccc(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)c1Br 1916388563 SKYCYCLPFUVOCP-MRXNPFEDSA-N 455.190 4.810 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNc1ncc(Br)cc1Br 1985347025 MBSVCSHUKMWRIS-UHFFFAOYSA-N 487.283 4.925 50 10 JJGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1scc(Br)c1Br 2042542312 IXHAPOAYXSSSBP-UTSKPXGSSA-N 458.013 4.565 50 10 JJGE CCN(C[C@](C)(CI)O[C@@H]1CCOC2(CCC2)C1)C(=O)OC(C)(C)C 2076741005 LXGMSIBUNSCQSZ-QAPCUYQASA-N 467.388 4.555 50 10 JJGE CC(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1cc(Cl)ccc1I 2126104083 ZOCHYYBEALTUAZ-WCQYABFASA-N 456.549 4.579 50 10 JJGE O=C(NC[C@@H]1CCCC[C@@H](Cl)C1)c1ccc(I)c(Br)c1 2163747606 CWJHFAYZASQWGC-ZYHUDNBSSA-N 470.576 4.971 50 10 JJGE C[C@H](CO[C@H](CI)c1ccc(Br)cc1)N1CCCCC1 2186736167 QSLMZAYOIZCOHD-CZUORRHYSA-N 452.174 4.816 50 10 JJGE O=C(c1sccc1I)N1[C@H](CBr)C[C@@H]2CCCC[C@@H]21 2232011447 UAUOJNJJXNWXNP-NHCYSSNCSA-N 454.171 4.521 50 10 JJGE C[C@H](Br)CN(C(=O)c1ccc(Cl)c(I)c1)C(C)(C)C 2272495217 ZXRRMLHCYKCKFE-VIFPVBQESA-N 458.565 4.969 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CCC[C@H](CCCBr)C1 2283650757 AZHZOMYHZDMSNT-NSHDSACASA-N 470.576 4.972 50 10 JJGE COc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 2296719374 JDTZZDJYLYIVIY-UHFFFAOYSA-N 472.888 4.694 50 10 JJGE N#CC(=Cc1c(Oc2ccccc2F)nc2ccccn2c1=O)C(=O)Nc1cccc(Cl)c1 2314533089 OHYSFZCTGBBIGT-UHFFFAOYSA-N 460.852 4.825 50 10 JJGE CCOCCCN1C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)C(C)=C(C#N)C1=O 2314619032 YOUPUDVREMYGHQ-UHFFFAOYSA-N 469.335 4.728 50 10 JJGE N#CC(=Cc1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)c1ccccc1F 2320506951 VFNHODZLNARJDG-UHFFFAOYSA-N 476.529 4.894 50 10 JJGE COc1ccc(NC(=O)C(C#N)=CNc2ccc(I)cc2C)cc1Cl 2324398618 QODQVVBMFZRCJX-UHFFFAOYSA-N 467.694 4.720 50 10 JJGE FC(F)(F)C[C@@H](CBr)NCc1cc(I)ccc1Cl 2327390928 IUVFUNFIBMOUSM-VIFPVBQESA-N 456.471 4.750 50 10 JJGE CC(C)(C)OC(=O)NCCCCCC(=O)NN=Cc1cccc(OCc2ccc(F)cc2)c1 2328835251 VZOGNAAJSPDUIP-UHFFFAOYSA-N 457.546 4.940 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2365584243 MBQSYSXVDHEOTQ-YHPBZONMSA-N 468.560 4.723 50 10 JJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(OCC(C)C)cc2)c(Br)c1 14832343 UIWZSYVOTLZLND-INIZCTEOSA-N 477.399 4.837 50 10 JJGE COc1cccc(/C=C(/C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)c1OC 33398853 YGSHUCMKEGYTDO-NVNXTCNLSA-N 461.455 4.906 50 10 JJGE CCCCN1C(=O)/C(=N/NC(=O)COc2ccc3cc(Br)ccc3c2)c2cc(C)ccc21 33959313 BTECICYCMLZKRY-ZZIIXHQDSA-N 494.389 4.957 50 10 JJGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2)cc1 38650232 IIUYSBWEPHANHO-WGDIFIGCSA-N 470.525 4.849 50 10 JJGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)c1 38684365 MMDOAKPQJMVTJT-VWLOTQADSA-N 456.498 4.921 50 10 JJGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(=O)Nc1cccc(C)c1 39993102 LEFNXJUJCPSHQO-XDJHFCHBSA-N 466.497 4.658 50 10 JJGE CCOc1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40649595 UFYDNQGFLXIKRP-UHFFFAOYSA-N 463.281 4.591 50 10 JJGE Cc1ccc(CNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1 40813411 YUGHOFKDPXJNOD-TURZUDJPSA-N 494.935 4.858 50 10 JJGE COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc(Cl)c1O 97729879 UBKQUFZGEWPREJ-BRJLIKDPSA-N 458.301 4.724 50 10 JJGE C[C@H](NC(=O)/C(C#N)=C\N1CCN(c2cccc(Cl)c2)CC1)C12CC3CC(CC(C3)C1)C2 217053515 LTGZCCIOSUVTCS-XXFCKNNRSA-N 453.030 4.591 50 10 JJGE N#C/C(=C/Nc1ccc(I)cc1)C(=O)Nc1ccccc1C(F)(F)F 217064628 XDUHYEJFTLNZLA-KHPPLWFESA-N 457.193 4.768 50 10 JJGE O=C(N[C@@H]1CCCC[C@@H]1CCl)c1cc(I)ccc1Br 231601198 YIKHXKVNEUHQSB-NOZJJQNGSA-N 456.549 4.581 50 10 JJGE O=C(N[C@H]1CCCC[C@@H]1CBr)c1ccc(Br)cc1Br 231612638 UTFDHCMLIHUPIR-RNCFNFMXSA-N 454.000 4.895 50 10 JJGE CC[C@@H](C)N(CCBr)c1ncc(C(F)(F)F)cc1I 686115719 ZBMVSURODBRGQL-MRVPVSSYSA-N 451.068 4.705 50 10 JJGE CN(C[C@@H]1CCC[C@@H]1Br)C(=O)c1cc(Cl)ccc1I 689220889 ZDUXMDNPBVRUJO-CABZTGNLSA-N 456.549 4.580 50 10 JJGE O=C(N[C@@H]1CCC[C@@H](CBr)C1)c1scc(Br)c1Br 705404799 FUTPCRVHDVWDOS-HTQZYQBOSA-N 460.029 4.957 50 10 JJGE COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)cc1 1084335168 TZUUZOKRJZXACA-HZHRSRAPSA-N 466.541 4.628 50 10 JJGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)cc1OC 1615066827 RDXVTSIJCYHIDE-QGMBQPNBSA-N 475.413 4.804 50 10 JJGE Cc1c(C(=O)NC2CCCCC2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743724 GLUVBXQOMYMASP-UHFFFAOYSA-N 472.383 4.883 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)c1OC 1865700865 GHUHIGGLOLIPCO-HXUWFJFHSA-N 471.344 4.782 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1 1865713077 QIWXQOYTAKIOPG-QHCPKHFHSA-N 452.489 4.964 50 10 JJGE CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(OC)cc3)sc2c1 1866126411 PKTNWQOFMKWPMF-NBVRZTHBSA-N 498.630 4.661 50 10 JJGE CCC[C@H](NC(=O)c1cc(-c2ccc(C)c(C)c2)n(C)n1)C(=O)Nc1ccc(SC#N)cc1 1866825327 FAAAYPRGFQBBIU-NRFANRHFSA-N 461.591 4.814 50 10 JJGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)c2nc(C3CC3)n3ccccc23)c2ccccc2)cc1 1866861269 FGGWCZJFBIVKMT-QFIPXVFZSA-N 467.554 4.895 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C[C@@H]1Br 1893137100 OQSWPIPGVJBSJH-IAAUVJCUSA-N 485.422 4.839 50 10 JJGE CCN(C[C@@](C)(CI)OC[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)OC(C)(C)C 1997929797 NFEVNHYTUYNMFZ-IUVQAAGXSA-N 451.389 4.890 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2C[C@H]1CC[C@@H]2Br 2028276713 HHVUGTGLDAGGAG-PRJMDXOYSA-N 458.013 4.661 50 10 JJGE CC(C)C[C@H](CBr)CNC(=O)c1cc(Br)cc(Br)c1 2120741790 DUZAARPQONTADA-SNVBAGLBSA-N 456.016 4.999 50 10 JJGE O=C(NC[C@@]12CCC[C@@]1(CBr)C2)c1csc(Br)c1Br 2142941212 UNDYRQGJVIIXDL-STQMWFEESA-N 472.040 4.958 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CCC2(CC1)C[C@H]2CBr 2148910584 RTUAKJRBIHYHRN-JTQLQIEISA-N 466.011 4.849 50 10 JJGE CC1(C)CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)[C@H]1CBr 2148955486 KFXNGBJMTGCOQT-JTQLQIEISA-N 466.022 4.550 50 10 JJGE O=C(NCC1CC2(CC(Cl)C2)C1)c1ccc(I)c(Br)c1 2164523699 KQRZJPUPGBYVGY-UHFFFAOYSA-N 468.560 4.581 50 10 JJGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)c1C 2179861334 FYBHASGKWCAAOI-FQEVSTJZSA-N 452.414 4.568 50 10 JJGE CCn1cc(Br)c([C@H](Br)c2cc3c(cc2Br)OCC3)n1 2181185588 GNMSRMYHIVBFNO-CYBMUJFWSA-N 464.983 4.847 50 10 JJGE CCc1ccc(CBr)cc1S(=O)(=O)N1CCC[C@@H](OCc2ccccc2)C1 2186379467 ALDHQQIPXZVWQE-HXUWFJFHSA-N 452.414 4.514 50 10 JJGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cncc(CBr)c1 2267906484 VBXHMOQQHDCOKQ-OAHLLOKOSA-N 451.411 4.990 50 10 JJGE C[C@H](Cl)CN(C(=O)c1cc(I)ccc1Br)C1CCC1 2272427314 ZMOHBSWXCWYUMT-VIFPVBQESA-N 456.549 4.676 50 10 JJGE CC1(C)C[C@@H](Br)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2295309457 JRYMDNARYMBKCZ-NSHDSACASA-N 468.027 4.919 50 10 JJGE C[C@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@@]1(C)CBr 2295316939 FZXQNIZFPKMBQS-ZUZCIYMTSA-N 468.027 4.634 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCC(=O)Nc1ccccc1 2297334499 IPMLVLALJSWMRR-WMZHIEFXSA-N 461.562 4.705 50 10 JJGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(CC)cc1 2314593354 LQOWNDAJTCSDHL-OAQYLSRUSA-N 496.430 4.740 50 10 JJGE CC(C)COc1c(Cl)cc(C=NNC(=O)Cc2ccc3[nH]c(=N)sc3c2)cc1Cl 2323602613 MTQZPFSVSPQYIG-UHFFFAOYSA-N 451.379 4.743 50 10 JJGE COc1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)cc1F 2338722927 RQOOPBHAPXESRE-SECBINFHSA-N 456.935 4.577 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@@H]2CCOc3ccccc32)CC1 2340301098 WHHKGBCWKAMWLH-QGZVFWFLSA-N 473.351 4.732 50 10 JJGE C[C@@H]1Cc2cc([C@H](Br)c3c(Br)ncn3C)cc(Br)c2O1 2362494068 MDXDXIBJIBGOJL-HQJQHLMTSA-N 464.983 4.753 50 10 JJGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)CCC1CCCCC1 14029284 RZDYNVNFXYKOAJ-UHFFFAOYSA-N 460.427 4.535 50 10 JJGE CCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(Cl)cc1Br 14035847 XLCPGIMOUDTJPJ-UHFFFAOYSA-N 469.763 4.512 50 10 JJGE N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)N1CCN(c2ccccc2)CC1 21315666 PTUGHISBVXDEJX-SAPNQHFASA-N 462.893 4.764 50 10 JJGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1nc3ccccc3nc12 35549156 NWBNRVVJCZKRTQ-RPWUZVMVSA-N 469.372 4.727 50 10 JJGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc21 38650577 SYFXOLNSPVKFDA-RUZDIDTESA-N 476.916 4.941 50 10 JJGE O=C(NNc1ncnc(N2CCCc3ccccc32)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40647542 YRNNAHASCRKTDF-UHFFFAOYSA-N 459.293 4.533 50 10 JJGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc(Br)cc3)c(C)c21 40823542 XDKSNVAWDUCVND-KOEQRZSOSA-N 470.323 4.975 50 10 JJGE Cn1c(=O)n(C)c2cc([C@@H](Cl)c3ccc(Br)s3)c(Br)cc21 109883512 OOUIFMPGWYWUAZ-CYBMUJFWSA-N 450.583 4.792 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OC(=O)/C=C\c1ccc(OC(C)C)c(OC)c1 207009252 JEXHDFIUSTWLLS-YVLPXXINSA-N 478.545 4.541 50 10 JJGE C[C@@H]1CN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2ccc(Oc3ccccc3)cc2)CCN1 207966965 YTTGZVDAXFOYEO-KOSHJBKYSA-N 484.021 4.674 50 10 JJGE CN(C(=O)c1ccc(I)c(Cl)c1)[C@H]1CCCC[C@@H]1Br 232350716 JNTITNKZUDOKRM-GWCFXTLKSA-N 456.549 4.723 50 10 JJGE COc1cc(C=NNC(=O)CNc2ccc3ccccc3c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254488054 NIZQXVYNQFSTBZ-UHFFFAOYSA-N 498.495 4.538 50 10 JJGE Cc1nn(-c2ccccc2)c2nc(-c3cccnc3)cc(C(=O)NN=Cc3c(F)cccc3F)c12 254560242 SFKWXARIDPGAFA-UHFFFAOYSA-N 468.467 4.833 50 10 JJGE CCOc1cc(C=NNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccccc1C#N 254743842 LKHACEDXTJIVSR-UHFFFAOYSA-N 484.468 4.954 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccc(Br)s2)C1 382725125 PSXCIOJEWXZKCE-NXEZZACHSA-N 472.186 4.896 50 10 JJGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(Cl)ccc1I 686174554 CJOAGGHAFWNXQI-NVBBAKCQSA-N 468.560 4.721 50 10 JJGE BrCc1cc(Br)cc(Br)c1OCCOC[C@H]1CCCO1 693115768 IRHQTOXIYDGKPA-GFCCVEGCSA-N 472.999 4.681 50 10 JJGE O=C(NNC(=O)c1ccccc1OCc1ccc(F)cc1)N[C@@H]1C[C@H]1c1cccc(Br)c1 726718680 NWJFJZYMGBJEFV-LEWJYISDSA-N 498.352 4.667 50 10 JJGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)ccc1OCc1ccccc1 1083993260 MEFIPBWAXWOVPT-QFIPXVFZSA-N 467.363 4.992 50 10 JJGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCC 1084108053 RRAGVSKCOUTJIH-QFIPXVFZSA-N 489.410 4.939 50 10 JJGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1O)c1cn(Cc2ccc(Br)cc2)c2ccccc12 1084624004 HVUPGWKVPNBZOI-UHFFFAOYSA-N 493.317 4.830 50 10 JJGE O=C(NCC[C@H]1CCC[C@@H]1Br)c1cccc(Br)c1Br 1913759133 WTEUGCCBAJKPFK-KOLCDFICSA-N 454.000 4.895 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](Br)C12CCC2 1914408140 GQQGPWKJFBQRIU-LBPRGKRZSA-N 498.984 4.586 50 10 JJGE CC1(C)CN(C(=O)c2cc(Br)sc2Br)C[C@@H]1CBr 1914529433 RIHCXLCHMBBASG-ZETCQYMHSA-N 460.029 4.766 50 10 JJGE CN(C[C@@H](Cl)COCc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Br)c1 1916333199 PWUFMJKRHMCTDM-CQSZACIVSA-N 467.212 4.547 50 10 JJGE CC(N)=C(C#N)C(=O)COC(=O)c1c2c(nc3ccccc13)C(=Cc1cccc([N+](=O)[O-])c1)CCC2 2053505243 PEPKYDIWRHFZDF-UHFFFAOYSA-N 482.496 4.502 50 10 JJGE CN(c1ncc(I)cc1Br)[C@@H]1CCCCC[C@@H]1Br 2069528676 LBACBYKTWTUGCW-CMPLNLGQSA-N 488.005 4.981 50 10 JJGE COc1cc(F)c(Br)cc1[C@H](Br)c1cc(Br)n(C)n1 2094083215 YORVRNAGPLDYGM-LBPRGKRZSA-N 456.935 4.577 50 10 JJGE C[C@H](NC(=O)c1ccc(Br)cc1Br)[C@H]1CCC[C@@H]1Br 2111558019 LXHJWAWDIBGICI-XRNSZHNASA-N 454.000 4.894 50 10 JJGE C[C@H]1Cc2cc([C@@H](Br)c3c(Br)cnn3C)cc(Br)c2O1 2146617600 ZWHUGDPLAOMOGW-JVXZTZIISA-N 464.983 4.753 50 10 JJGE Cc1nc2c(cc1Br)nc(CCl)n2-c1cccc(I)c1 2153123959 OJZFHXGKHNVWOS-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE CN(Cc1ccccc1)[C@@]1(Cn2c(CCl)nc3cc(I)ccc32)CCOC1 2155112415 AITGYTVBZAVCGY-OAQYLSRUSA-N 495.792 4.671 50 10 JJGE O=C(c1csc(I)c1)N1CCC[C@]2(CBr)CCCC[C@@H]12 2165292303 AOFBNOFJHDCNDO-DOMZBBRYSA-N 468.198 4.913 50 10 JJGE Cc1csc(CBr)c1S(=O)(=O)N(C)[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2179815909 OSNRZBUGJKBSTB-KRWDZBQOSA-N 471.486 4.625 50 10 JJGE C[C@H](c1cscc1Br)N(C)S(=O)(=O)c1ccc(CBr)s1 2186582544 WJCWQFUNPCFLOK-MRVPVSSYSA-N 459.250 4.849 50 10 JJGE Cn1nc(Br)c([C@@H](Cl)c2cc(Br)c(Br)cc2F)n1 2219797911 HAKFJUVOOZLPTG-QMMMGPOBSA-N 462.342 4.570 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2[C@@H](Br)CCC[C@H]2C1 2283652995 BIZCDVUFWHIOMR-TUAOUCFPSA-N 468.560 4.580 50 10 JJGE Cc1ccc(C(=O)N(CCBr)CCC(C)(C)C)cc1I 2289897100 OOBVWTSZXMMXBF-UHFFFAOYSA-N 452.174 4.873 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CCCC[C@@H](CBr)C1 2340062064 VJGNAYKRVLQTBU-JTQLQIEISA-N 456.549 4.582 50 10 JJGE FC1(F)CC[C@@H]2[C@@H]([C@H](Br)c3cc(I)cc4c3OCC4)[C@@H]21 2355155155 RPKAHJVBVZZZQY-OJAKKHQRSA-N 455.080 4.953 50 10 JJGE CN(C(=O)c1ccc(Cl)cc1I)C1(CBr)CC(C)(C)C1 2365595909 OXMGKPPDKSRNJA-UHFFFAOYSA-N 470.576 4.970 50 10 JJGE Cc1ccc(C(=O)N(C[C@@H](C)Br)C2CCCC2)cc1I 2368847350 NXCRDOLTJQVWIN-GFCCVEGCSA-N 450.158 4.768 50 10 JJGE COc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(OC(=O)c4cccs4)c2)C(C#N)=C(N)O3)cc1 8567380 SGQIGSHKRCUYFG-FQEVSTJZSA-N 470.510 4.584 50 10 JJGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812085 WMVIRWHMCJNJHD-NLRVBDNBSA-N 482.334 4.779 50 10 JJGE COc1cccc(/C(C)=N/NC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)c1 58991986 GKIHVNXTPRSNEV-VFCFBJKWSA-N 485.613 4.694 50 10 JJGE C#CCOc1ccc(/C=N/NC(=O)c2ccc(N(CCC)CCC)cc2)cc1Br 59147055 ALIDJAKOVYWTHN-KOEQRZSOSA-N 456.384 4.851 50 10 JJGE CCCCOc1ccc(CCC(=O)Oc2ccc(/C=C(/C#N)C(=O)OC)cc2OC)cc1OCC 207297071 QCIUDLPVYLEDOC-QNGOZBTKSA-N 481.545 4.891 50 10 JJGE CN(C(=O)c1cc(Br)ccc1I)[C@H]1CCCC[C@@H]1Cl 234296244 WUMHJVJJDHTAJV-AAEUAGOBSA-N 456.549 4.676 50 10 JJGE O=C(NCCCCCCI)c1ccc(I)c(Cl)c1 236035606 SNQPIWBHQFAJEK-UHFFFAOYSA-N 491.538 4.670 50 10 JJGE CCCCCCCCOc1ccc(C=NNC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1 254384140 OBIDFFDWFQCXRI-UHFFFAOYSA-N 451.489 4.757 50 10 JJGE C=CCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(OCC)c2)cc1 254760429 ZAWMWLAASOSFDX-UHFFFAOYSA-N 474.513 4.642 50 10 JJGE CC(CBr)(CBr)NC(=O)c1scc(Br)c1Br 705517606 ZCINZBQGDDMXSO-UHFFFAOYSA-N 498.860 4.551 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)c(C)n1-c1ccc(F)cc1 759075270 AODYLJZVLFCBDQ-GLISRPLSSA-N 471.511 4.919 50 10 JJGE CCOc1cc(C=NNC(=O)[C@H](C)Sc2ncccn2)ccc1OCc1cccc(Cl)c1 1084454828 KXXMBTYCVCTMFX-INIZCTEOSA-N 470.982 4.739 50 10 JJGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746562 XGHWZEBQWGOCLI-UHFFFAOYSA-N 472.501 4.560 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)c1O 1865683475 FMRLTFJQQJYUPQ-QFIPXVFZSA-N 468.488 4.670 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cc(C)ccc1O)C(C#N)=C(N)O2 1865687304 OCVOEIOQDLLEKO-NRFANRHFSA-N 452.917 4.909 50 10 JJGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865707687 DCGKXIFQEBFQAR-OAQYLSRUSA-N 468.916 4.522 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cccc(F)c1)C(C#N)=C(N)O2 1865711203 SDONGZUBIPCOBP-LJQANCHMSA-N 453.315 4.945 50 10 JJGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(Br)cc1 1865714288 GGEJKZXZXFGFSW-GOSISDBHSA-N 451.324 4.559 50 10 JJGE CCC[C@H](NC(=O)CCc1csc(-c2ccccn2)n1)C(=O)Nc1ccc(SC#N)cc1 1867055633 GXWMVUFXUZIBEF-IBGZPJMESA-N 465.604 4.634 50 10 JJGE CC[C@](C)(NC(=O)CCc1csc(-c2ccccn2)n1)C(=O)Nc1ccc(SC#N)cc1 1867058015 RRVOSARHFMLUOZ-QHCPKHFHSA-N 465.604 4.634 50 10 JJGE O=C(CBr)c1cc(I)c(C(F)(F)F)c(OC(F)(F)F)c1 2055155119 FGEMMUNPEKUPFH-UHFFFAOYSA-N 476.936 4.786 50 10 JJGE CCC[C@@H](CBr)CNC(=O)c1ccc(Br)cc1I 2086140284 ZYEVZNWXQJFHOL-VIFPVBQESA-N 488.989 4.595 50 10 JJGE C[C@H]1CN(C(=O)c2cccc(Br)c2Br)C[C@@H](C)[C@@H]1Br 2092332918 LGPWGDQAFFPCOK-GDGBQDQQSA-N 454.000 4.703 50 10 JJGE C[C@H](Br)CCCc1cn(-c2cc(Br)ccc2Br)nn1 2132760269 DDFLNUYXNXZSNI-VIFPVBQESA-N 451.988 4.898 50 10 JJGE CN(C(=O)c1cc(I)ccc1Br)C1(CCCl)CCC1 2140953685 ZJHICLYRLLJUQS-UHFFFAOYSA-N 456.549 4.677 50 10 JJGE CC1(C)C[C@H](NC(=O)c2cc(I)ccc2F)C[C@H](Br)C1 2169668091 MIJCXQKTTUMAJT-GXSJLCMTSA-N 454.121 4.502 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CC[C@]2(CCC[C@@H]2Cl)C1 2207266685 GUYDGJJKMFBMMV-DZGCQCFKSA-N 468.560 4.677 50 10 JJGE C[C@H]1CCC[C@](CCl)(NC(=O)c2ccc(Br)cc2I)C1 2207269332 QJXWTSQABVSMSS-BONVTDFDSA-N 470.576 4.971 50 10 JJGE FC(F)(F)[C@@H]1CN(Cc2ccc(I)c(Cl)c2)C[C@H]1CBr 2208029995 OXMJWPCYEPLWJG-NXEZZACHSA-N 482.509 4.950 50 10 JJGE Cc1c(Br)sc(C[C@@H](Br)CN2C(=O)c3ccccc3C2=O)c1C 2241381038 MVQLVCWHONSYRW-LLVKDONJSA-N 457.187 4.730 50 10 JJGE C[C@@H](Cl)CN(C(=O)c1ccc(Br)cc1I)C1CCC1 2272443409 FIPFYFGIPMFQEW-SECBINFHSA-N 456.549 4.676 50 10 JJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@@H]2CCCO2)c(C)c1 2296707786 KKVWBJRVBVPBIF-VWLOTQADSA-N 468.557 4.615 50 10 JJGE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(C)cc2)cc1 2296720847 CYWGOFIDFSDBQS-UHFFFAOYSA-N 471.538 4.696 50 10 JJGE FC1(F)[C@@H]2COC[C@]21[C@H](Br)c1sc(Cl)cc1I 2300957383 NNYLHUMNRIDIIB-JISRMSBWSA-N 455.489 4.724 50 10 JJGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cc(Cl)ccc2Cl)c(OCC)c1 2314735938 KPIMDQLUBMBEMC-UHFFFAOYSA-N 464.301 4.847 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(C)cc2C)c(OC)c1 2314785727 KDATWRVHOSLGKW-UHFFFAOYSA-N 464.562 4.900 50 10 JJGE Brc1cc(CN2C[C@@H](Br)C3(CCC3)C2)ccc1I 2325227048 WLRSVYZAUUEVTF-CYBMUJFWSA-N 485.001 4.803 50 10 JJGE Clc1ccc(I)cc1CN1CCSC[C@H]1CCBr 2327402981 KODNZHGGGBKVNY-GFCCVEGCSA-N 460.606 4.647 50 10 JJGE FC(F)(CCl)C(F)(F)CNCc1ccc(I)c(Br)c1 2349825854 CQPZBRBVIUYZBA-UHFFFAOYSA-N 474.461 4.653 50 10 JJGE O=C(N[C@@H]1C[C@@H](CBr)C12CCC2)c1ccc(Br)cc1Br 2379721327 RVDWFPILHIEHHC-TVQRCGJNSA-N 466.011 4.895 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1cccc(Br)c1 38651482 ULTHPGMWTUSGMF-NRFANRHFSA-N 492.285 4.795 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)c(OC)c1 38656959 MWBPCKXCCLFEDC-RUZDIDTESA-N 492.915 4.560 50 10 JJGE CC[C@H](CCBr)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 137094000 ULOPZQKPWRELFF-MRVPVSSYSA-N 468.038 4.845 50 10 JJGE O=S1(=O)CCCC[C@H]1[C@H](Br)c1cc(Br)sc1Br 169048992 KITHYENZSDYDAS-IONNQARKSA-N 467.042 4.676 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cccc(C(C)C)c1 206410376 YETVLXSKZXPLKM-MTJSOVHGSA-N 474.513 4.619 50 10 JJGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OC(C)C)c(OC)c2)c(OC)c1 207009469 ZWHCXLPEQWUIJT-HGKZOJRLSA-N 478.545 4.543 50 10 JJGE O=C(NC[C@H]1CCCC[C@H]1Br)c1ccc(I)c(Cl)c1 232349148 MEYYWYYUSONLBR-GHMZBOCLSA-N 456.549 4.628 50 10 JJGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 252619624 LRKBFPWDUGKJAB-UHFFFAOYSA-N 455.511 4.566 50 10 JJGE CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)C(=NNC(=O)c3ccc(Cl)cc3)c3ccccc32)C1 254644388 JFBBJPXITIABBU-AFMDSPMNSA-N 464.997 4.679 50 10 JJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2cccc(C)c2)cc1 254844764 FUJFOPXPSIHDLZ-UHFFFAOYSA-N 468.509 4.905 50 10 JJGE ClCCc1nc2cnccc2n1-c1ccc(I)c(Br)c1 312309813 WYAFQULLIJDXGY-UHFFFAOYSA-N 462.516 4.569 50 10 JJGE CC[C@@H]1[C@@H](CBr)CCN1C(=O)c1cc(Br)cc(Br)c1 386343373 XJAFTMPADWJCDW-NOZJJQNGSA-N 454.000 4.847 50 10 JJGE C/C(=C/c1cccc(Cl)c1)C(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1 1464569385 ZDCGXBHTJSGIBY-MXDSONSJSA-N 459.977 4.518 50 10 JJGE C#CCCCC(=O)NNC(=O)Nc1ccc(Oc2ccccc2Br)c(Cl)c1 1465609877 IRWDPTYYGHXBFZ-UHFFFAOYSA-N 450.720 4.851 50 10 JJGE C=CCC[C@H](NC(=O)NNC(=O)c1cccc(OC(F)F)c1)c1ccc(C(F)(F)F)cc1 1685817103 GWOSINLXOUEMGB-KRWDZBQOSA-N 457.399 4.958 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)c(C)c1 1772744722 IJKAAUBWMOWJMW-UHFFFAOYSA-N 460.490 4.836 50 10 JJGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3C)cc1OC 1865693768 YOQIHKFGECFYQO-IBGZPJMESA-N 489.414 4.931 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)c1 1865712040 ONVPJLKORCJOOY-KRWDZBQOSA-N 460.843 4.830 50 10 JJGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)N2C(=O)c3ccccc3C2=O)n1 1872758648 JVWGTCFYCBFPKY-AQNJYJFJSA-N 465.918 4.949 50 10 JJGE Cc1cc2nc(CCl)n(-c3ccc(I)c(Br)c3)c2cn1 1917619423 QRVROHCKBPJLGO-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE CCN(C[C@](C)(CI)O[C@H]1COC2(CCCC2)C1)C(=O)OC(C)(C)C 2069129967 YLTPWBZEOSCZJA-QAPCUYQASA-N 467.388 4.555 50 10 JJGE C[C@H]1C[C@@H](Br)[C@H](C)CN1C(=O)c1cc(Cl)ccc1I 2093112979 VYCKOFUXRPJVSS-VDDIYKPWSA-N 456.549 4.579 50 10 JJGE C[C@@H]1CC[C@H](CCl)N(C(=O)c2cc(I)ccc2Br)C1 2110617007 OCJMGDLRLORABD-MWLCHTKSSA-N 456.549 4.533 50 10 JJGE O=S(=O)(c1cc(CBr)c(Cl)cc1Cl)N(Cc1ccccc1)[C@H]1CCOC1 2123252309 PBRBWLSAURRYTP-HNNXBMFYSA-N 479.223 4.868 50 10 JJGE CC(C)[S@](=O)(=NC[C@H](CBr)C1CCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2126849694 IVPOAQBMZVBNPV-PVRZRQTBSA-N 451.471 4.683 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1cc(Br)c(Br)s1 2139708994 SCPCAHLBBMVVHE-AZQAYCESSA-N 472.040 4.955 50 10 JJGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)CC(C)(C)C)c(CCBr)c1 2179835095 PKSBIDNWLDYNSY-UHFFFAOYSA-N 454.430 4.870 50 10 JJGE CN(C(=O)c1c(Br)cccc1Br)[C@H](CBr)CC1CC1 2226146882 JZAXEDRFMCXJER-JTQLQIEISA-N 454.000 4.847 50 10 JJGE Cc1cc(Br)c([C@H](Br)[C@@H]2CO[C@@H]3COC[C@H]32)c(C)c1Br 2235598917 JQAKTMZCAFISEU-PETRGTFGSA-N 469.011 4.926 50 10 JJGE C[C@H](Br)CN(C1CCC1)S(=O)(=O)c1cc(Br)ccc1Br 2288054361 WXAKQIWRJAOAII-VIFPVBQESA-N 490.055 4.538 50 10 JJGE CNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1 2293039154 JITLXYAZKPYJAQ-QGZVFWFLSA-N 466.777 4.819 50 10 JJGE CC(F)(F)C[C@@H](CBr)NCc1cc(I)ccc1Cl 2327400738 IHDVDZHDIWFXPX-JTQLQIEISA-N 452.508 4.843 50 10 JJGE Cc1cc(Br)c(NC(=O)C(C#N)=Cc2ccc(Br)cc2)c(C(=O)O)c1 2329662458 ZKIMSGBZTPXJES-UHFFFAOYSA-N 464.113 4.764 50 10 JJGE Clc1ccc(CN2C[C@H]3[C@H](Br)CCC[C@H]3C2)cc1I 2337226180 UWHZMIPYNRXTNN-YNEHKIRRSA-N 454.577 4.940 50 10 JJGE CN(C(=O)c1ccc(Cl)cc1I)[C@@H](CBr)CC1CC1 2340061593 PKMFEWNDZBEWMI-LLVKDONJSA-N 456.549 4.580 50 10 JJGE O=C(NC1(CBr)CC2(CCC2)C1)c1ccc(Cl)cc1I 2365594902 DJTGUYKLKDQRNB-UHFFFAOYSA-N 468.560 4.772 50 10 JJGE O=C(NC(=S)NNC(=O)c1ccccc1OCc1ccccc1)c1ccc(Cl)cc1Cl 14030836 ZHJNXWQEHMDOHX-UHFFFAOYSA-N 474.369 4.522 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccccc2C)cc1Br 14640717 XDFMQNVTOAPISS-UHFFFAOYSA-N 463.372 4.557 50 10 JJGE C/C(=N\NC(=O)COc1c(Br)cc(C)cc1Br)c1ccc(C)cc1 20072702 USMBMVMJQQVKDN-FYJGNVAPSA-N 454.162 4.748 50 10 JJGE Cc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1)CC3 39881541 OAAXORPDZPLZJT-UHFFFAOYSA-N 456.933 4.966 50 10 JJGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)c1 40529860 SRRJQSRGPUVSJJ-MRDQGFSESA-N 486.499 4.982 50 10 JJGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242442 PURHSASOKJZLBT-YDYXIROLSA-N 491.544 4.560 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C\c1ccc(C)cc1 206690947 HJACKINSZLNBEU-KGHHUICTSA-N 456.498 4.829 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CCC[C@H](CCBr)C1 232461098 DAEYDKSCJNNBHR-SNVBAGLBSA-N 454.000 4.849 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cccc([N+](=O)[O-])c3)cc2OCC)cc1 254478562 YANDQGQVUFWOEW-UHFFFAOYSA-N 491.500 4.765 50 10 JJGE O=C(NN=Cc1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)c1cccc(O)c1 254504453 QTYQYYWMFWKXGM-UHFFFAOYSA-N 450.501 4.825 50 10 JJGE CC(C)(C)C(=O)[C@H](Br)Cc1cc(Br)ccc1I 304183713 CDVGMAOIOHOBHY-SNVBAGLBSA-N 473.974 4.975 50 10 JJGE COc1cc(C=NNC(=O)c2ccc(Br)cc2)ccc1Oc1ccccc1[N+](=O)[O-] 1083935352 AVSZJOXLESRGBW-UHFFFAOYSA-N 470.279 4.922 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 1084059261 UPRZNHHLRUVRON-HNNXBMFYSA-N 457.361 4.728 50 10 JJGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCC 1084206313 YFDKTYJYLFWFMW-UHFFFAOYSA-N 478.286 4.599 50 10 JJGE Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 1084498496 GPAZACGDFHVOSZ-UHFFFAOYSA-N 475.911 4.989 50 10 JJGE C=CCC[C@@H](NC(=O)NNC(=O)c1cncn1-c1ccccc1)c1ccc(C(F)(F)F)cc1 1685816918 CDWIZBJBWUUXLX-LJQANCHMSA-N 457.456 4.543 50 10 JJGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1OC)CCC2 1772745533 AZGJSUVMQKUONR-UHFFFAOYSA-N 461.518 4.636 50 10 JJGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865698572 XVKXMRWHWQBJNX-JOCHJYFZSA-N 462.937 4.527 50 10 JJGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccncc2)C(C#N)=C(N)O3)cc1 1865701979 JRJOUVSXHNTOID-XMMPIXPASA-N 463.541 4.837 50 10 JJGE CCCN(CCC)c1cccc(C(=O)N[C@](C)(CC)C(=O)Nc2ccc(SC#N)cc2)n1 1866599384 BDSGQPMBYCPTQT-XMMPIXPASA-N 453.612 4.818 50 10 JJGE CCCC[C@@H](NC(=O)CCCc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(SC#N)cc1 1866790016 SHKGVVJJQDOIGQ-OAQYLSRUSA-N 467.591 4.667 50 10 JJGE CC1(C)[C@H](Br)CCCN1C(=O)c1ccc(Br)cc1Br 1887813172 CWRYINHDADOUCJ-GFCCVEGCSA-N 454.000 4.990 50 10 JJGE O=C(c1ncc(Br)cc1F)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2002340041 TYDIBPDEFYILLP-INIZCTEOSA-N 456.153 4.799 50 10 JJGE CC(C)[C@@H](Br)CN(C)C(=O)c1cc(I)ccc1Br 2048731715 RIEZWAPRFZJBBC-LBPRGKRZSA-N 488.989 4.545 50 10 JJGE O=C(c1scc(Br)c1Br)N1CC[C@]12C[C@@H](CBr)C2 2061798246 AAGROTPJIXYERB-HCJPZQEFSA-N 458.013 4.663 50 10 JJGE COc1cc(C(=O)N(C)C[C@H](Br)COCc2ccccc2)ccc1Br 2072061164 MXCVULNODBSUNG-INIZCTEOSA-N 471.189 4.510 50 10 JJGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1cccc(Br)c1Br 2104409244 WDJAKVHOIUDLHS-ULCXWNMLSA-N 451.984 4.503 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@@](=O)(=NC[C@H](CBr)C(C)(C)C)C2 2106787727 KAVGDOAIIRFMRT-ICUZJZPDSA-N 451.471 4.685 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CC[C@H](Br)C12CCC2 2142282210 APTTYZFJEVOZDS-LBPRGKRZSA-N 498.984 4.586 50 10 JJGE CN(Cc1ccccc1)C1CCN(S(=O)(=O)c2ccc(CBr)c(Cl)c2)CC1 2179793034 NZXUJSOMWUHISK-UHFFFAOYSA-N 471.848 4.520 50 10 JJGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)C(C)C)c(CCBr)c1 2179835450 UCGFTQNUMRDCEC-KRWDZBQOSA-N 454.430 4.868 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@@H](Br)[C@H]1CC2 2229872970 MCTOIQFZZSQACC-OPQQBVKSSA-N 498.984 4.584 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)cc2C=C(C#N)C(=O)NCc2ccco2)cc1OC 2295672645 GUXSFENKPCQLPX-UHFFFAOYSA-N 486.503 4.571 50 10 JJGE Cc1cccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(F)cc3)C2=O)c1 2296834981 IRQGJOUBBMAHKZ-XMMPIXPASA-N 471.557 4.877 50 10 JJGE CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)C(C#N)=C2Nc3ccccc3N2C)cc1 2297477606 PFLXQLGPKPSRJT-UHFFFAOYSA-N 466.607 4.757 50 10 JJGE CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccccc2C)cc1OC 2313518084 GHKOYGJXGRZUHZ-UHFFFAOYSA-N 462.287 4.553 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCC 2313555912 DPDAVYZKVCFKCF-UHFFFAOYSA-N 482.378 4.994 50 10 JJGE CC(C)CO[C@@H]1[C@H](Cl)C[C@H]1Oc1cc(Br)cc(I)c1 2338758114 POWHSVRDBFHAOF-MGPQQGTHSA-N 459.549 4.853 50 10 JJGE O=C(N[C@H](CBr)c1cccs1)c1ccc(Cl)cc1I 2340054238 KNQNLLCRPKHGSE-LLVKDONJSA-N 470.557 4.872 50 10 JJGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1C 10153175 GCEIXCJLZVNLQF-KRWDZBQOSA-N 477.399 4.719 50 10 JJGE CCOc1cc(/C=C(\C#N)c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1ccc(F)cc1 34988362 YCOYIAHQKIMLMW-QGOAFFKASA-N 484.487 4.955 50 10 JJGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1ccc(C(F)(F)F)cc1 40795548 BPOMJGSNRXMMAO-UHFFFAOYSA-N 487.269 4.650 50 10 JJGE CC(C)Cc1ccc([C@@H](C)C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 66199333 VMWGNIZWESZCQJ-CQSZACIVSA-N 467.791 4.631 50 10 JJGE COc1cccc(C(=O)Oc2ccc(N(CCBr)CCBr)cc2)c1 95719669 GWQUZVAKPOUIRG-UHFFFAOYSA-N 457.162 4.511 50 10 JJGE CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)CCl)cc1OC 97914648 SOBFRWJOWKKPCX-RUZDIDTESA-N 473.013 4.852 50 10 JJGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N\NC(N)=S)CC(C)(C)C2 101109905 INFOSSOVXMKZNY-DIBXZPPDSA-N 461.591 4.581 50 10 JJGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242389 BWLKFAJZBSMQCQ-NLTRVXJZSA-N 487.581 4.729 50 10 JJGE CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)OCC)cc2OC)cc1OC 206236056 QZPJRLJQSWPKMK-BOIKWEOWSA-N 465.502 4.581 50 10 JJGE N#C/C(=C/Nc1ccc(S(=O)(=O)O)cc1)C(=O)Nc1ccccc1Sc1ccccc1 217243274 DFTLQINBQVHFOC-NXVVXOECSA-N 451.529 4.543 50 10 JJGE O=C(NC[C@@H]1CCC[C@H](Br)C1)c1cc(Br)sc1Br 227759349 SCJLAALYINXGRK-SFYZADRCSA-N 460.029 4.957 50 10 JJGE O=C1Cc2cc([C@H](Br)c3sccc3I)c(Cl)cc2N1 311695888 LLJLWSRTLWIGQY-LBPRGKRZSA-N 468.541 4.985 50 10 JJGE CN(C)c1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1 382705472 FHCIVHAMLOMDSF-QUCCMNQESA-N 464.347 4.540 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N(CCBr)C(C)(C)C)cc1Br 690995288 GVEDWNYKCYADAZ-UHFFFAOYSA-N 492.071 4.704 50 10 JJGE C[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2I)[C@H]1CBr 708478647 XGOJRXUGZQITPI-RNCFNFMXSA-N 456.549 4.580 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3cc(C(=O)OC)ccc3Cl)o2)cc1 725446459 JEEXBSRUZKTCIF-QFIPXVFZSA-N 484.936 4.749 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)NCc2cccc(CN3CCCC3=O)c2)c(C)n1-c1ccc(F)cc1 915180417 FNUJQWLTYPRMLH-IWIPYMOSSA-N 470.548 4.579 50 10 JJGE CCOc1cc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)ccc1OC 1614687770 DLVGFAIYWUEJFV-RTBURBONSA-N 495.357 4.881 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865713978 AEYFIXCXMCMOSU-JOCHJYFZSA-N 483.459 4.569 50 10 JJGE C[C@@H](Br)[C@H](NC(=O)c1cc(Br)ccc1Br)C(F)(F)F 1882654016 ZNJBGSFSZHZFSL-ANLVUFKYSA-N 467.905 4.656 50 10 JJGE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)NC[C@H]1C[C@H](Br)C1 2020169050 PFZYNRXVXWPSBT-UMSPYCQHSA-N 462.182 4.699 50 10 JJGE N#CC(=C(OC(=O)Cc1c(Cl)cccc1Cl)C(F)(F)F)c1nnc2n1CCCCC2 2040437116 JYYLNJRUBDZHDS-UHFFFAOYSA-N 459.255 4.894 50 10 JJGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Br)c1c(Br)sc(Br)c1Cl 2054226361 JDCNYNYXKNNCKD-UELCQGJWSA-N 499.471 4.653 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CC[C@H](Br)[C@@H]2CC[C@@H]21 2069991365 MOZRILJNTQBWRI-ZKWXMUAHSA-N 458.013 4.661 50 10 JJGE C[C@H]1C[C@H](Br)[C@H](C)CN1C(=O)c1cc(Br)ccc1Br 2093110436 BXUDPPJPRVWHQC-ZDMBXUJBSA-N 454.000 4.846 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@@H]2CCC[C@H](C1)C2Br 2167780816 BCYLTEJHCDXMTD-XFLKPENQSA-N 466.011 4.847 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@@H](C(F)(F)CBr)C1 2197762768 KAHDIEOALTYKFG-MRVPVSSYSA-N 475.953 4.704 50 10 JJGE C[C@H]1C[C@H](C(F)(F)F)N(CC2(CBr)CC(F)C2)CCN1C(=O)OC(C)(C)C 2280360109 REMFIWYSWDDOFO-XCCIUEIHSA-N 461.338 4.762 50 10 JJGE COc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1 2296506795 FOGQBTGQZCLNTI-HSZRJFAPSA-N 455.539 4.760 50 10 JJGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3C)nc3ccccn3c2=O)cc1 2296544438 DWJRYELPQXMUIB-UHFFFAOYSA-N 466.497 4.740 50 10 JJGE O=C(NN=Cc1ccc(OCc2ccccc2)c(Cl)c1)c1cc(-c2ccccc2)nc(O)n1 2318418300 WBCQTONLMJQWFH-UHFFFAOYSA-N 458.905 4.846 50 10 JJGE BrCc1cnccc1OCc1cc(I)ccc1Br 2319166832 KJGLNXURLLXHEG-UHFFFAOYSA-N 482.941 4.923 50 10 JJGE COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C(C#N)=Cc1ccc(OC)c(OC)c1 2329702862 BQQWQEICVZDUAZ-UHFFFAOYSA-N 487.512 4.519 50 10 JJGE N#C/C(C(=O)N1CCCCC1)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 2269382 YJZKRPXAGWIEHK-VLBGROSNSA-N 496.430 4.888 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)cc1OCC 38679154 YHOZNXDVZNAHFY-HSZRJFAPSA-N 462.527 4.983 50 10 JJGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2)CCC3)c1 40811607 QNAVHWXNFNNFOL-MTDXEUNCSA-N 481.936 4.981 50 10 JJGE Cc1cc(/C=N/NC(=O)COc2cccc(Cl)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59249031 TWCFLVGXJQNOPC-OPEKNORGSA-N 460.317 4.628 50 10 JJGE Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)cc2)n1 97553518 JQCUOZRTYGALFO-LEWJYISDSA-N 466.994 4.604 50 10 JJGE O=C1CCc2cc([C@H](Br)c3cccc(I)c3)c(F)cc2N1 109872950 FUKWWPFMGPKDSY-MRXNPFEDSA-N 460.084 4.799 50 10 JJGE Cc1cn([C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O 201687326 DDLOCFSZSYGOPG-KZNAEPCWSA-N 470.759 4.545 50 10 JJGE in-vitro CC(C)(C)C[C@@H](Cl)CNC(=O)c1cc(Br)ccc1I 232502459 ONSMJLPPKCEVBM-SNVBAGLBSA-N 458.565 4.827 50 10 JJGE CCCCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 254386100 QOCSPXHIQCVTKR-UHFFFAOYSA-N 490.556 4.795 50 10 JJGE O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 254447125 RDVKXQYHBONNET-UHFFFAOYSA-N 473.460 4.995 50 10 JJGE C[C@@]1(CI)CC[C@H](c2cc(Br)c3c(c2)OCCCO3)O1 312967095 UWPJTTREMYELRT-DOMZBBRYSA-N 453.114 4.656 50 10 JJGE C[C@@H]1CC[C@H](CCl)CN1C(=O)c1cc(Br)ccc1I 688694126 CSPTVINUUVWDPT-NXEZZACHSA-N 456.549 4.533 50 10 JJGE C[C@H](Br)[C@@H]1CCCN(C(=O)c2ccc(I)c(Cl)c2)C1 689043487 LUVGLFPJJKEDLL-GXSJLCMTSA-N 456.549 4.580 50 10 JJGE Cc1nn(C)c2c1nc([C@H](C)Cl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705783827 SNSPLAANZYLPKD-IBGZPJMESA-N 464.013 4.849 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2cccnc2Cl)c(C)n1-c1ccc(F)cc1 729350410 AKQWLPYKYRXBQJ-YAJBTMAUSA-N 466.900 4.759 50 10 JJGE CC(=O)N(C)c1ccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 743714595 HCBFCDUFUMSMGI-RGEXLXHISA-N 472.936 4.646 50 10 JJGE COc1ccc(C(=O)NNC(=O)N[C@H](c2ccc(C(C)C)cc2)c2cccs2)cc1OC 913635821 IBALHXSVFVIYIE-JOCHJYFZSA-N 453.564 4.622 50 10 JJGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)CCc1nc(-c2cc(Br)cs2)no1 920107474 ZRLOBQSLKZOYMV-UHFFFAOYSA-N 464.297 4.736 50 10 JJGE COC(=O)c1ccc(C=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 1084146931 UTAYKEFWPFJYSU-UHFFFAOYSA-N 469.585 4.692 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)Nc2ccccc2Cl)c(C)n1-c1cccc(Br)c1 1084192521 SOTIKFPIKPGYQJ-UHFFFAOYSA-N 473.758 4.599 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705838 GWLCMKVZQMCPNA-FQEVSTJZSA-N 467.888 4.803 50 10 JJGE COc1ccc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1OCc1cccc(Cl)c1 1873793185 AVRUJKLQMNUWSA-IYAOEYEUSA-N 487.984 4.777 50 10 JJGE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1NCCSSCCNC(=O)OC(C)(C)C 1991591526 YSMDOBMHEYDDHK-IAGOWNOFSA-N 463.710 4.518 50 10 JJGE C[C@H](Br)C[C@@H]1CCCN1c1ncc(I)cc1Br 2015757426 TWRAXYUWEVDXQS-WPRPVWTQSA-N 473.978 4.591 50 10 JJGE CC(F)(F)C[C@@H](CBr)NC(=O)c1csc(Br)c1Br 2050367720 BKABCIKXJVSILC-YFKPBYRVSA-N 469.971 4.812 50 10 JJGE C[C@@H]1CCCN(c2ncc(I)cc2Br)[C@H]1CCBr 2069529321 POGXTYKYUFWBNM-SKDRFNHKSA-N 488.005 4.839 50 10 JJGE C[C@H]1C[C@@H](Br)CCN(C(=O)c2c(Br)cccc2Br)C1 2103292264 NKVPPFBHVKCEDD-UWVGGRQHSA-N 454.000 4.847 50 10 JJGE C[C@H](Cl)C[C@@H]1CCCN1C(=O)c1ccc(Br)cc1I 2142281678 SUXKKNSYANLLQA-ONGXEEELSA-N 456.549 4.676 50 10 JJGE C[C@H](Cl)[C@H]1CCCN(C(=O)c2ccc(Br)cc2I)C1 2142290146 YOLQIODZBCCOFB-UWVGGRQHSA-N 456.549 4.533 50 10 JJGE O=C(c1cc(Br)c(Cl)s1)N1C[C@@H](CBr)[C@@H](C(F)(F)F)C1 2172566332 GAMQVKGHHSLWTK-RITPCOANSA-N 455.521 4.809 50 10 JJGE Cn1nc(Br)c([C@@H](Br)c2cc(Br)sc2Br)n1 2210979697 ZADMMMFDDQCKDX-YFKPBYRVSA-N 494.832 4.648 50 10 JJGE CN(C(=O)c1cc(Br)ccc1Br)[C@H](CBr)CC1CC1 2226158804 AZLONYPYRDXWQC-NSHDSACASA-N 454.000 4.847 50 10 JJGE Cn1ncc([C@@H](Cl)c2c(F)cc(F)c(Br)c2F)c1I 2227802871 KRMUQQCGEJDFCN-SECBINFHSA-N 465.438 4.533 50 10 JJGE CCN(C[C@](C)(CBr)O[C@H]1CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2242040833 ZMBMIFOGKUGTOK-UGKGYDQZSA-N 455.437 4.688 50 10 JJGE CCC(CBr)(CBr)NC(=O)c1scc(Br)c1Cl 2246447703 AMTPNHZDRHXZTI-UHFFFAOYSA-N 468.436 4.832 50 10 JJGE C[C@@H](Br)CN(c1ncc(I)cc1Br)C1CCC1 2250503069 JAEKKNGRGGQLPX-MRVPVSSYSA-N 473.978 4.591 50 10 JJGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cncc(CBr)c1 2267906482 VBXHMOQQHDCOKQ-HNNXBMFYSA-N 451.411 4.990 50 10 JJGE CCO[C@@]1(COc2c(Br)cc(Br)cc2CBr)CCOC1 2287070032 DGBQXMCDZAIVJM-AWEZNQCLSA-N 472.999 4.681 50 10 JJGE FC1(F)[C@@H]2COC[C@]21[C@@H](Br)c1sc(Cl)cc1I 2300957382 NNYLHUMNRIDIIB-HFHMMWAZSA-N 455.489 4.724 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2CC[C@H]1C[C@@H]2Br 2337064331 QCPZAZAQEMFBJC-DVYJOKAKSA-N 451.984 4.600 50 10 JJGE O=C(N[C@@H]1C[C@@H](CBr)C12CCC2)c1cc(Br)c(Br)s1 2351630709 PPLBWVRDONIVRT-OIBJUYFYSA-N 472.040 4.957 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1[C@H]2CCC[C@H](Br)[C@H]1CC2 2365593060 RQGJYZBGBBAZGW-VHRBIJSZSA-N 468.560 4.865 50 10 JJGE C[C@H](Br)CN(C(=O)c1cc(I)ccc1F)C1CCCC1 2368852134 VSNBWKHPDXDSIZ-JTQLQIEISA-N 454.121 4.599 50 10 JJGE FC(F)(F)[C@@H]1CN(Cc2cc(I)ccc2Cl)C[C@@H]1CBr 2380508712 IFBPZHPMXOUYBC-GXSJLCMTSA-N 482.509 4.950 50 10 JJGE Cc1cc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)ccc1Cl 14650642 XFDJKJNNDGRPQP-UHFFFAOYSA-N 483.790 4.676 50 10 JJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OC(C)C)cc1 14668067 FYOUYTRIIBJVTP-OAHLLOKOSA-N 463.372 4.590 50 10 JJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)c1 38659814 WPPJFHSOCRZSIO-VWLOTQADSA-N 492.915 4.560 50 10 JJGE COc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241080 DTFIGCSZTKMLMU-FYAMCCBRSA-N 487.556 4.577 50 10 JJGE CC(C)(C)C[C@@H](Br)CNS(=O)(=O)c1cc(Cl)c(Br)s1 226266846 RZHBRVVHNNRRHF-SSDOTTSWSA-N 453.649 4.642 50 10 JJGE CCC[C@H](CCBr)CNS(=O)(=O)c1cc(Br)ccc1Br 227506772 FXZGAWWNAUUABD-SNVBAGLBSA-N 492.071 4.691 50 10 JJGE O=C(NC[C@@H]1CCCC[C@H]1Cl)c1cc(Br)ccc1I 236047574 PHLXJVIYBCGPHR-JOYOIKCWSA-N 456.549 4.581 50 10 JJGE CC(C)(COc1c(Br)cc(CBr)cc1Br)CS(C)(=O)=O 692823938 SBGKQAULBRGXBA-UHFFFAOYSA-N 493.055 4.556 50 10 JJGE BrCC(CBr)(Cc1sncc1Br)C1CCOCC1 719879754 QODIHAMBQOCAHF-UHFFFAOYSA-N 462.045 4.651 50 10 JJGE CC(C)C[C@@H](Br)CNC(=O)c1ccc(I)c(Br)c1 721613340 LAXUIBUPXDBAST-SNVBAGLBSA-N 488.989 4.593 50 10 JJGE C=CCCc1ccccc1NC(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 1676884760 CYZKBYHFPPQFMT-UHFFFAOYSA-N 452.518 4.519 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccnc2)CCC3)c(Br)c1 1772746837 HGHASWJFIAGLDS-UHFFFAOYSA-N 481.350 4.777 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)cc1O 1865681862 YSLOKSVZTMEXDA-JOCHJYFZSA-N 470.916 4.881 50 10 JJGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684505 QZJFMOZHANAALN-IBGZPJMESA-N 453.315 4.614 50 10 JJGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696284 DBZGBOVWKJDLCY-XMMPIXPASA-N 458.562 4.898 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)c1OC 1865700811 DVTWBUMHWBVNOR-MRXNPFEDSA-N 476.842 4.780 50 10 JJGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCNC(=O)[C@@H]2c2ccc(F)cc2)n1 1868342158 MEFGPZIYZWDNQX-QFIPXVFZSA-N 476.581 4.907 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1C 1873498365 GWYDQJZRIDNQAU-CVKSISIWSA-N 455.474 4.528 50 10 JJGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccccc2F)cc1 1873794919 JJNCZYCSPYFZAN-QYJQOTDOSA-N 457.546 4.794 50 10 JJGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)c1 1873920582 JEZUIBZQBKEIIQ-QOCHGBHMSA-N 475.526 4.782 50 10 JJGE Brc1ccc(I)cc1COCC1CC(Br)C1 1902301864 OKYRQUPZBVBPSX-UHFFFAOYSA-N 459.947 4.744 50 10 JJGE Cc1c(Br)sc([C@@H](Br)C2(S(C)(=O)=O)CC2)c1Br 2002551771 ORXVYSMOAJDWEN-MRVPVSSYSA-N 467.042 4.595 50 10 JJGE CN(c1ncc(Br)cc1Br)C1(CBr)CCSCC1 2051505111 VLQSPSAJEPCTMY-UHFFFAOYSA-N 459.045 4.704 50 10 JJGE C[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)[C@H](C)C[C@H]1Br 2093110624 DDBVGGXPSFCAJZ-FXPVBKGRSA-N 456.549 4.579 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@@H](Br)C2(CC2)C1 2094100940 XUWGEYYGHREZSJ-LLVKDONJSA-N 451.984 4.601 50 10 JJGE C[C@H](NC(=O)c1cc(Cl)ccc1I)[C@H]1CCC[C@H]1Br 2111558474 QCGANDVKGBBEKK-MKPLZMMCSA-N 456.549 4.627 50 10 JJGE Cc1c([C@@H](Br)[C@@H](C)c2ccncc2Br)nn(C)c1Br 2111932104 HEFDXRNBLGJWOC-CPCISQLKSA-N 451.988 4.888 50 10 JJGE CCn1cc(Br)c([C@H](Br)c2cc(Br)c3c(c2)CCO3)n1 2181186829 UNZJVOQKIUMUEM-GFCCVEGCSA-N 464.983 4.847 50 10 JJGE O=C(c1sccc1I)N1[C@H](CBr)C[C@@H]2CCCC[C@H]21 2232020786 UAUOJNJJXNWXNP-JBLDHEPKSA-N 454.171 4.521 50 10 JJGE C[C@@H](Br)CN(c1ncc(I)cc1Br)C(C)(C)C 2250591709 NFFBLWJSWJVBIR-MRVPVSSYSA-N 475.994 4.837 50 10 JJGE CC1(C)OCCN(Cc2c(Br)cccc2Br)[C@H]1CBr 2267679077 FGNPLQZZWHNSCX-ZDUSSCGKSA-N 456.016 4.586 50 10 JJGE CC1(C)[C@H](Br)CCCN1C(=O)c1ccc(Cl)c(I)c1 2268352005 YOHXWTFNXYTETL-GFCCVEGCSA-N 456.549 4.723 50 10 JJGE C=CC[C@@]1(CBr)CCN(C(=O)c2ccc(Cl)c(I)c2)C1 2287766157 WPNXADYRUZSKMK-HNNXBMFYSA-N 468.560 4.748 50 10 JJGE CO[C@H]1C[C@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C[C@H]1OC 2295329724 LZUBKMWKTPYOCN-QZKOUSHUSA-N 471.027 4.958 50 10 JJGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCCc3ccccc3)c(Oc3ccccc3Cl)nc12 2296542817 WZRVOCUBFOZGAU-UHFFFAOYSA-N 484.943 4.715 50 10 JJGE COc1ccccc1-c1csc(C(C#N)=C(O)CN2C(=O)c3ccc(Br)cc3C2=O)n1 2331282347 IHGVXOVJDGMRGL-UHFFFAOYSA-N 496.342 4.670 50 10 JJGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CNS(=O)(=O)c3ccc(C)cc3)n2)cc1 2331318723 UROGWKKZZDMBIU-UHFFFAOYSA-N 469.588 4.679 50 10 JJGE COc1ccnc(OCc2cc(I)ccc2Br)c1CCl 2367520855 YUGOSADRMGJJFG-UHFFFAOYSA-N 468.516 4.775 50 10 JJGE Cc1ccccc1C[C@@H]1S/C(=C(\C#N)C(=O)NCc2ccccc2)N(c2ccc(F)cc2)C1=O 1888724 AJTFVZDZUDSQMB-BSSRNLCFSA-N 471.557 4.877 50 10 JJGE CCOc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14019917 PAVLFYNPVUCKPF-UHFFFAOYSA-N 459.546 4.710 50 10 JJGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)c1 14644381 IXTIUKUIPVDTLA-CQSZACIVSA-N 483.790 4.528 50 10 JJGE N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)/C=C\c3ccc(Cl)cc3Cl)cc2)cc1 33547739 YKEPZBLVCCJBQT-WQLSENKSSA-N 466.324 4.772 50 10 JJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1OC 38681022 SQPKIDORCCEIDS-MUUNZHRXSA-N 498.535 4.771 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C)cc1C 40934553 LXVFKKLEAIRVAO-FYJGNVAPSA-N 474.513 4.503 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1sc2ccccc2c1Cl 41019189 BZUUVQGOUVENIH-FOWTUZBSSA-N 482.945 4.548 50 10 JJGE Cc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1cccc(Br)c1 58890480 XPSYHNZCZWAOTF-JOODZBNRSA-N 454.368 4.821 50 10 JJGE C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)[C@@H]1CBr 227190902 NFQDFVBGNBXMDV-RDDDGLTNSA-N 466.022 4.550 50 10 JJGE O=C(NC[C@@H]1CCC[C@H](Br)C1)c1cc(Br)cc(Br)c1 227761079 JDDXMKNZBJBJOJ-KOLCDFICSA-N 454.000 4.895 50 10 JJGE COc1cc(C=NNC(=O)COc2cccc3ccccc23)ccc1OC(=O)c1ccccc1 254415900 CCYGEFXPOYFGBV-UHFFFAOYSA-N 454.482 4.597 50 10 JJGE CC[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C[C@@H]1Br 399882017 UEXUKMZFXSNPJL-CBAPKCEASA-N 466.022 4.550 50 10 JJGE C[C@]1(CBr)CCCN(C(=O)c2ccc(I)c(Cl)c2)C1 688134899 ANNDGWNJDWDADY-CQSZACIVSA-N 456.549 4.582 50 10 JJGE CC1(C)C[C@H](NC(=O)c2ccc(F)cc2I)C[C@H](Br)C1 693899975 XUPZHWSJNOOCTM-GXSJLCMTSA-N 454.121 4.502 50 10 JJGE CO[C@@](C)(COCc1ccccc1)Cn1c(CCCl)nc2cc(Br)cnc21 702786006 WSNVRKRGFRXXDF-HXUWFJFHSA-N 452.780 4.597 50 10 JJGE CCC[C@@H](CCBr)NC(=O)c1cc(I)ccc1Br 716853192 BBTKDLPSZFJNLM-JTQLQIEISA-N 488.989 4.737 50 10 JJGE COCCn1c(C)cc(/C=C(/C#N)C(=O)Oc2cccc(C(=O)Nc3ccc(C)cc3)c2)c1C 727327500 HUWZVFKOPGYQFY-HAHDFKILSA-N 457.530 4.825 50 10 JJGE COC(=O)c1ccc(COC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 782094384 FKZGTBJMHRHJMU-DEDYPNTBSA-N 474.904 4.554 50 10 JJGE C[C@H]1CCCN(Cc2ccccc2CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)C1 918583370 FRVFMUSDLQCYPF-WCFTWNFSSA-N 492.627 4.919 50 10 JJGE Cc1ccc(C)c(N(CC(=O)NN=Cc2ccc3c4c(cccc24)CC3)S(=O)(=O)c2ccccc2)c1 1083997406 FWHAWQWNWNKDEN-UHFFFAOYSA-N 497.620 4.901 50 10 JJGE C/C(=C\c1cccc(Cl)c1)C(=O)NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 1654112169 IQLNVPLDWZOONR-SDNWHVSQSA-N 450.951 4.913 50 10 JJGE C=CC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 1683289201 PBAGVIGCOODPAV-IBGZPJMESA-N 459.575 4.527 50 10 JJGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680470 LVZDPMDYASTMBY-JOCHJYFZSA-N 486.915 4.831 50 10 JJGE Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 1865845307 PVXRSBOYWIULEQ-UHFFFAOYSA-N 478.401 4.969 50 10 JJGE CCOC(=O)c1c(C)nn(-c2cccc(F)c2)c1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 1866129087 BHPXNLNPYMHTCK-LFIBNONCSA-N 497.324 4.805 50 10 JJGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc(NS(C)(=O)=O)cc2)n1 1872758752 OVOHXRKGDFREBR-MNDPQUGUSA-N 461.952 4.793 50 10 JJGE COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1OCc1ccccc1 1873794855 DVSUKMLYPIVONB-WTFDWONZSA-N 469.582 4.664 50 10 JJGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C1COCCOC1 2024260646 UNINMKPNHBLPTN-MRVPVSSYSA-N 469.420 4.979 50 10 JJGE O=C(c1scc(Br)c1Br)N1CC[C@H](Br)CC12CC2 2050627099 XMXUSMLVZKGSPW-ZETCQYMHSA-N 458.013 4.805 50 10 JJGE Fc1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)c(F)c1 2079258529 ZLSRITUPXWPRQW-UHFFFAOYSA-N 466.973 4.669 50 10 JJGE C[C@](CBr)(NC(=O)c1ccc(Br)cc1Br)C(F)(F)F 2105104960 PKTPUUPSTSBITK-SNVBAGLBSA-N 467.905 4.657 50 10 JJGE CCOc1ccc([C@H](Br)c2cn(C)nc2Br)cc1Br 2116553994 HLGMAZWWVMDTAO-LBPRGKRZSA-N 452.972 4.828 50 10 JJGE COCc1cc(Br)c([C@@H](Br)c2c(Br)nn(C)c2C)s1 2131599618 RZAUQTCGVROGBL-JTQLQIEISA-N 473.028 4.946 50 10 JJGE O=C(N[C@@H]1CC[C@H]2C[C@@]21CBr)c1cc(Br)cc(Br)c1 2132116204 OZDMZXMLAAZGEC-MRCXROJRSA-N 451.984 4.505 50 10 JJGE C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(CBr)c2)CCN1Cc1ccccc1 2179795924 YDHSEEFOEOWHAV-MRXNPFEDSA-N 471.848 4.520 50 10 JJGE CC(C)(C)OC(=O)N1CC2(CCS(=O)(=NCc3ccc(CBr)cc3)CC2)C1 2182846090 ZHAGIVMWYOCWOV-UHFFFAOYSA-N 457.434 4.580 50 10 JJGE O=C(NCC[C@H]1CCCC[C@@H]1Cl)c1ccc(Br)cc1I 2207261128 KCXVHHIUMMSXRT-MFKMUULPSA-N 470.576 4.971 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2N(CCCCCI)C1 2220216249 RJAQINQALKMTAF-INIZCTEOSA-N 458.384 4.795 50 10 JJGE C=CC[C@@]1(CBr)CCN(c2ncc(I)cc2Br)C1 2259480886 NHYKNVFKPLNOSL-ZDUSSCGKSA-N 485.989 4.616 50 10 JJGE CC(C)CN(C[C@@H](C)Br)C(=O)c1ccc(Cl)c(I)c1 2272459843 LHAFRVDMVDKRSU-SNVBAGLBSA-N 458.565 4.826 50 10 JJGE C[C@@H](Br)CN(CC(C)(C)C)C(=O)c1cc(I)ccc1F 2288049836 SNTOBKSJWLMLJL-SNVBAGLBSA-N 456.137 4.702 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1CCCC[C@H]1CBr 2295307896 QHVUMDSPJXCEKK-SMDDNHRTSA-N 468.027 4.824 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H]2CC[C@@H](Br)[C@H]2C1 2308161671 WFPQZEKYDHXIOH-BWVDBABLSA-N 458.013 4.519 50 10 JJGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1C 2314594009 XLHZOIVPNHMXQC-HSZRJFAPSA-N 457.555 4.639 50 10 JJGE Cc1cc(I)ccc1NC=C(C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2318463278 ZZACDZPRTQASSZ-UHFFFAOYSA-N 482.665 4.619 50 10 JJGE CCOc1ccc(CCNC=C(C#N)C(=O)NC(c2ccccc2)c2ccccc2)cc1OCC 2324826020 DMEINESXQBZPQO-UHFFFAOYSA-N 469.585 4.929 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@@H](Br)[C@H]2CC[C@H]21 2331941112 SKBJPZLVRUYURE-OASPWFOLSA-N 451.984 4.600 50 10 JJGE Cc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1C 10153300 TVMVBVZGNKUVAW-LJQANCHMSA-N 454.611 4.892 50 10 JJGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(\C#N)C(=O)NCc2ccccc2)cc1 16739754 RHWCXSZLXFENSY-BSSRNLCFSA-N 453.567 4.738 50 10 JJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1 38658114 YXCADHQVVAJPOF-DEOSSOPVSA-N 469.453 4.597 50 10 JJGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Nc1cccc(Br)c1 40794878 DUIIFMDFFAGKPQ-UHFFFAOYSA-N 489.377 4.840 50 10 JJGE CCOC(=O)c1c(NC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCCC2 40840153 CRJFIDMOXKDVTA-UFFVCSGVSA-N 450.904 4.521 50 10 JJGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)NC)cc1 101240651 DTHRKBLRQJWYPD-ODENVGOISA-N 476.385 4.564 50 10 JJGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 101332205 IQPBWXVNJRHCCT-ZVHZXABRSA-N 466.541 4.796 50 10 JJGE CC(C)S(=O)(=O)CCC(CBr)(CBr)c1cccc(Br)c1 232696720 RSLJOUZEQGHAQF-UHFFFAOYSA-N 491.083 4.690 50 10 JJGE CCCCC(=NNC(=O)[C@@]1(C)CC1(Br)Br)c1ccc(OCC)cc1 254682658 KMNIUILRFKFXAX-QGZVFWFLSA-N 460.210 4.992 50 10 JJGE CC(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)=NNC(=O)c1cc(C)nc2c1c(C)nn2C 254814817 PVGWUKAZPDUXAN-TWVWUCKLSA-N 472.431 4.815 50 10 JJGE ClCCCOc1c(I)cc(Cl)cc1I 308589022 NMMQDDKQBYUZMS-UHFFFAOYSA-N 456.876 4.557 50 10 JJGE Cc1cccc(C(=O)N[C@@H](CBr)C2CCCCC2)c1I 386317320 XUPBNZVUVLTASK-AWEZNQCLSA-N 450.158 4.673 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c(C)n1-c1cccc(Cl)c1 726947663 FBVICDZMTGVTJB-WOJGMQOQSA-N 492.929 4.714 50 10 JJGE C[C@H](NC(=O)NNC(=O)c1cn(C)c2ccccc12)c1ccc(OCc2ccc(F)cc2)cc1 728601659 ARERCVIALDOALV-KRWDZBQOSA-N 460.509 4.602 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)NCc2c(Cl)cccc2Cl)c(-c2ccccc2)n1 914496446 APVHWIIMZHYFKA-ATVHPVEESA-N 450.329 4.994 50 10 JJGE COc1cccc(COc2ccccc2C=NNC(=O)COc2ccc(Br)cc2)c1 1084105293 HQJWRCKTIHZLPG-UHFFFAOYSA-N 469.335 4.566 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 1084324287 KUHBQYIKYLOYNQ-VWLOTQADSA-N 477.517 4.536 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(Br)c([N+](=O)[O-])c2)[C@@H](CBr)C1 1614620368 DTXXONYMBFCOQN-NWDGAFQWSA-N 464.154 4.703 50 10 JJGE O=[N+]([O-])c1ccc([C@H]2CN(Cc3ccccc3)C[C@H]2CBr)c(Br)c1 1614640641 CTCIOEUMKDTRFV-PBHICJAKSA-N 454.162 4.968 50 10 JJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)cc1OCC 1865691569 VPQAJSIYHYBZIZ-QHCPKHFHSA-N 474.561 4.984 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865713324 WMLSHTRYQBFTOY-DEOSSOPVSA-N 464.525 4.834 50 10 JJGE CN(C1(CBr)CCC1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1915006789 ZLCRERRTCPDQKB-UHFFFAOYSA-N 466.022 4.694 50 10 JJGE CC(C)([C@H](Br)c1sc(Br)cc1Br)S(C)(=O)=O 1922928994 FAOFIVLJGZDJEY-MRVPVSSYSA-N 455.031 4.532 50 10 JJGE O=C(NNC=C1C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21)c1ccc(Cl)cc1 2053612303 CVHSAIGYRFHTAA-UHFFFAOYSA-N 485.849 4.821 50 10 JJGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1cc(CCl)sc1Br 2095831741 RQPFZVYJALOFQD-KGLIPLIRSA-N 477.877 4.533 50 10 JJGE C[C@@H](Cl)C12CCC(CC1)N2C(=O)c1ccc(I)c(Br)c1 2153386576 PRJQLIAQRVNDPV-IWPPJYEWSA-N 468.560 4.818 50 10 JJGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCC[C@H](CCCBr)C1 2234186364 OXAGXWLIHNXNOL-VIFPVBQESA-N 465.660 4.740 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CCC[C@H](CBr)CC1 2268341508 DULIUPONCCVAIP-JTQLQIEISA-N 456.549 4.582 50 10 JJGE CCOC(=O)C(C#N)=Cc1ccc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)cc1 2297487602 HIWXCAQFJYUEBX-UHFFFAOYSA-N 459.502 4.522 50 10 JJGE O=S(=O)(N[C@H](CCCl)COCc1ccccc1)c1cc(Cl)c(Br)s1 2303761957 KVNSWSAVHPLZAA-GFCCVEGCSA-N 473.241 4.657 50 10 JJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC=C)C(=O)C(C#N)=C2C)cc1 2314617249 URGKCLCBRDHAME-UHFFFAOYSA-N 476.536 4.882 50 10 JJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1 2314634805 NLAXLVWPDQSSMR-RUZDIDTESA-N 486.911 4.964 50 10 JJGE COc1ccc(CCO[C@@](C)(CBr)CNC(=O)OC(C)(C)C)c(Br)c1 2317133735 VSSNCJJZJBGNHT-SFHVURJKSA-N 481.225 4.695 50 10 JJGE O=C(N[C@@H]1C[C@@H](CBr)C12CCC2)c1cccc(Br)c1Br 2379697428 SFHFZFZGCSUIRV-JOYOIKCWSA-N 466.011 4.895 50 10 JJGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 14037244 VHAJDGJCIKELJO-AWEZNQCLSA-N 498.432 4.521 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCC 21315641 QKTGEZQBKQTWKD-XMHGGMMESA-N 484.394 4.502 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1Oc1ccc([N+](=O)[O-])cn1 33900413 ZDKXJNPHIBBQDH-DHDCSXOGSA-N 450.838 4.990 50 10 JJGE COc1cc(/C=C(\C#N)c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1cccc(C)c1 34988297 CWJDPWXSUDEOFP-CPNJWEJPSA-N 466.497 4.734 50 10 JJGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OCC)c1 38650539 NFNCMPDADYBWFM-RUZDIDTESA-N 456.498 4.921 50 10 JJGE Cc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3cc(C)cc(C)c3)nc3ccccn3c2=O)c1 39858770 QYRLLYUDBDTBNK-HKWRFOASSA-N 450.498 4.958 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-])c1cccc2ccccc12 40658744 QXPYWAXYUFGODH-UHFFFAOYSA-N 484.394 4.937 50 10 JJGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)cc1OC 40853613 WEQRFMTXPQBPCP-XSFVSMFZSA-N 494.544 4.773 50 10 JJGE Cc1c(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c2ccccc2n1Cc1ccc(Br)cc1 59396284 WVIYOHXYAFHREK-YMFQVDJJSA-N 478.390 4.963 50 10 JJGE COc1cc(Cl)c(/C=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1OC 66202185 TUMPOFNONQUXOX-VULFUBBASA-N 451.910 4.682 50 10 JJGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242431 YXVVICXMOINLPA-HVBJHMBASA-N 491.544 4.560 50 10 JJGE CCC(CC)N(CCCl)S(=O)(=O)c1cc(Br)c(C)cc1Br 155819333 ZLLUDBOFAFGPGY-UHFFFAOYSA-N 461.647 4.938 50 10 JJGE O=c1[nH]c2ccc([C@@H](Br)c3cc(Br)ccc3Br)cc2[nH]1 161083117 KEMIOLQMXIYIFJ-CYBMUJFWSA-N 460.951 4.866 50 10 JJGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)cc1 205648423 RTLKCHVNULTMFV-PMKSQJLDSA-N 484.508 4.549 50 10 JJGE CC(=NNC(=O)[C@@]1(C)CC1(Br)Br)c1ccc(NC(=O)c2ccc(C)o2)cc1 252603650 FSSZNWHPUQULNW-GOSISDBHSA-N 497.187 4.577 50 10 JJGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cccc3ccccc23)c(OC)c1 252624399 PNHJPOXCRFCKDT-RHBGXZGJSA-N 479.536 4.778 50 10 JJGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2C2CCCCC2)cc1OC 254401833 BKANWEIPJFDHDM-UHFFFAOYSA-N 479.606 4.710 50 10 JJGE CC(=NNC(=O)CSc1cc(C)c(Br)cc1C)c1ccc(-n2ccnc2)cc1 254753189 VVPPWFVGRWMNEY-UHFFFAOYSA-N 457.397 4.884 50 10 JJGE Nc1cc(Br)ccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CBr 394686614 HWJWYPXLTQMKLE-YOEHRIQHSA-N 468.189 4.778 50 10 JJGE C[C@@H](Br)C[C@@H](C)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 398592075 QHKOCIMHRSAYTC-HTQZYQBOSA-N 468.038 4.844 50 10 JJGE O=C(CBr)c1cc(Br)c(C(F)(F)F)cc1I 575691525 KQCQJMVJXFZAEH-UHFFFAOYSA-N 471.836 4.650 50 10 JJGE C[C@H](CC(CBr)(CBr)c1cccc(Br)c1)CS(C)(=O)=O 706477359 HVPUUYCDXWFEKK-LLVKDONJSA-N 491.083 4.548 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2ncccn2)c(C)n1-c1cc(Cl)ccc1Cl 821774043 DVIGBYPQMMJNIY-ZXMBATIKSA-N 484.343 4.668 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC2CCN(Cc3ccccc3)CC2)c(-c2ccccc2)n1 920135065 GHXIVNBFPLAYNP-ITYLOYPMSA-N 479.584 4.826 50 10 JJGE COc1cccc(COc2ccccc2C=NNC(=O)[C@H](C)Oc2ccccc2Br)c1 1084333739 XJKPSWSOSIVAAM-KRWDZBQOSA-N 483.362 4.954 50 10 JJGE C[C@@H](COc1ccccc1F)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 1321947234 AVQXUIJBWYKPKE-AMRJIULGSA-N 477.927 4.747 50 10 JJGE CC(C)Oc1ccc(S(=O)(=O)NNC(=O)c2ccc(-c3ccc4ccccc4c3)s2)cc1 1860405321 IOTPQFICIDXSDL-UHFFFAOYSA-N 466.584 4.979 50 10 JJGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(N(C)C)cc1)C(C#N)=C(N)O2 1865683754 OSCLGNYOYJHSOL-NRFANRHFSA-N 454.361 4.831 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccc[nH]2)C(C#N)=C(N)O3)cc1 1865709349 AFLQODYFWXCUTI-OAQYLSRUSA-N 457.921 4.807 50 10 JJGE CCOCCOCCOc1c(Br)cc(CBr)cc1Br 2087541997 OQZCNKUTNJRUBB-UHFFFAOYSA-N 460.988 4.538 50 10 JJGE C[C@H]1CCCN(C(=O)c2cccc(Br)c2Br)[C@@H]1CBr 2092333193 ODLIDTODFGOXSO-JOYOIKCWSA-N 454.000 4.847 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@H]2C[C@H]1CC[C@@H]2Br 2094096096 ULWLEBRFVOLUPF-BBBLOLIVSA-N 451.984 4.600 50 10 JJGE CC(C)[S@](=O)(=NC[C@@H](CBr)C(C)(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2126848567 DYXBGGKNCMLJPN-YQHYCNIYSA-N 453.487 4.929 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1[C@H]2CC[C@@H]1C[C@@H](CBr)C2 2184575042 QEQHTTPFFYEIQU-CFWWUVRLSA-N 466.011 4.990 50 10 JJGE C=CC[C@]1(CCl)CCN(C(=O)c2ccc(I)c(Br)c2)C1 2287748000 NQGHNUAWKXDHDT-OAHLLOKOSA-N 468.560 4.701 50 10 JJGE Cc1cc(NS(=O)(=O)c2ccc(NC=C(C#N)c3nc(-c4ccccc4)cs3)cc2)no1 2297482039 VNWLQIFPJBPDSG-UHFFFAOYSA-N 463.544 4.884 50 10 JJGE CC(C)[C@H](CBr)N(C)C(=O)c1ccc(Br)cc1I 2318851758 BPAVFRAQJOJODF-LBPRGKRZSA-N 488.989 4.545 50 10 JJGE Clc1ccc(I)cc1CN1CCS[C@@H](CCBr)C1 2327402569 HSMQBNJLZGSIIZ-LBPRGKRZSA-N 460.606 4.647 50 10 JJGE BrCc1cc(Br)c(OC[C@@H]2[C@H]3COCC[C@H]32)c(Br)c1 2331290438 SJGKOORYYJDDTE-VWYCJHECSA-N 454.984 4.768 50 10 JJGE COc1ccc(C(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1OC 2331412483 BDWVHULNZVSLDJ-UHFFFAOYSA-N 454.504 4.803 50 10 JJGE COc1ccc(-c2csc(C(C#N)=Cc3cc4c(cc3[N+](=O)[O-])OCCO4)n2)cc1OC 2331418120 KABHMXBCXYTAFH-UHFFFAOYSA-N 451.460 4.571 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@H]2CC[C@H](Br)[C@@H]1C2 2355761270 RNLFNDYVHRELFX-IIMNLJJBSA-N 466.011 4.990 50 10 JJGE COc1cc(CBr)cc(OCc2cc(I)ccc2Cl)n1 2380345460 AEPHWPLUJWMVNZ-UHFFFAOYSA-N 468.516 4.822 50 10 JJGE CN(C)c1ccc2c(c1)[S@@](=O)S[C@]2(c1ccccc1)c1ccc(N2CCOCC2)cc1 15776416 AFBYYCFQHHQJLE-OOWIMERYSA-N 450.629 4.651 50 10 JJGE O=C(N/N=C\c1ccc2c(c1)OCO2)c1csc(-n2nc(-c3ccccc3)cc2C(F)(F)F)n1 33434051 HQAIRATZYCAGLM-KALUYTGESA-N 485.447 4.507 50 10 JJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1 38650615 DJUAXSHCVOHICL-HHHXNRCGSA-N 470.525 4.986 50 10 JJGE COc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3cc(C)cc(C)c3)nc3ccccn3c2=O)c1 39993041 DQYGLDMASJZWSF-XMHGGMMESA-N 466.497 4.658 50 10 JJGE CCCCOc1ccc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2N)cc1 40754850 YBPKSSNBHCXVCS-UHFFFAOYSA-N 471.359 4.501 50 10 JJGE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)c1 40812191 FSJOVOIZSMACDF-ZXVVBBHZSA-N 460.490 4.836 50 10 JJGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40812995 OXXQZXRZFTUTRL-OVVQPSECSA-N 476.489 4.536 50 10 JJGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814611 CRLZVAWDLKYCPF-ZXVVBBHZSA-N 480.908 4.801 50 10 JJGE CC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c(Br)c1 40951348 SFCJPYRBAPVLJS-OEAKJJBVSA-N 462.344 4.964 50 10 JJGE CCn1c2ccccc2c2cc(C=NNC(=O)c3cc(-c4ccc(OC)c(OC)c4)n[nH]3)ccc21 254834858 TZQGUYWAHHRSOO-UHFFFAOYSA-N 467.529 4.986 50 10 JJGE COc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccc(C)cc1 263628601 FKKRYASFMCJLCM-UHFFFAOYSA-N 494.547 4.609 50 10 JJGE COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)cc1Br 382685368 CYJCFWSALWFWRQ-OLZOCXBDSA-N 496.183 4.843 50 10 JJGE COc1cc(C[C@@H](Br)c2scc(Br)c2Br)ncn1 705465753 ROMAHRDPKIIFRN-SSDOTTSWSA-N 456.985 4.750 50 10 JJGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(F)cc1 725380056 OBXADLOYHPUPIT-HSZRJFAPSA-N 450.510 4.767 50 10 JJGE CCn1c(CCNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)nc2ccccc21 744093031 ICXZBYJYGIFXNT-CAPFRKAQSA-N 497.990 4.753 50 10 JJGE N#CCCCOc1cccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1 918633920 GXLWPFTXSFKCDY-PGMHBOJBSA-N 450.502 4.692 50 10 JJGE Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=NNC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)o1 1083900772 SPVBVUATDVZGPH-UHFFFAOYSA-N 497.514 4.924 50 10 JJGE CC#CCCCC(=O)NNc1c(Br)cc(Br)cc1Br 1126488025 AYLDHBYXJVHISZ-UHFFFAOYSA-N 452.972 4.611 50 10 JJGE C=CCn1cc2ccc(NC(=O)NNC(=O)c3cc4c(s3)CC[C@H](C(C)(C)C)C4)cc2n1 1311238227 XZMWPULMHUPVTH-KRWDZBQOSA-N 451.596 4.901 50 10 JJGE CC(=O)c1cccc(OCc2cc(C(=O)NNc3nc4cc(Cl)ccc4cc3C)no2)c1 1466413397 GLEUHRSGMZKGTJ-UHFFFAOYSA-N 450.882 4.723 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865687195 LRKMDJOWWKGJSJ-XMMPIXPASA-N 482.515 4.978 50 10 JJGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)/C=C/c1ccc([N+](=O)[O-])s1 1865759733 PLSBLNKJOROSFC-FPYGCLRLSA-N 477.329 4.808 50 10 JJGE CC1(C)[C@H](Cl)CCCN1C(=O)c1ccc(I)c(Br)c1 1887637884 YUWAZNZQBNMUEA-GFCCVEGCSA-N 456.549 4.676 50 10 JJGE CN(C[C@H](Cl)COCc1ccccc1)S(=O)(=O)c1c(Cl)cccc1Br 1916332775 KPDCQHSODYTEEX-AWEZNQCLSA-N 467.212 4.547 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H]1CBr)c1csc(Br)c1Br 2032953023 BBTIHAVTFGTPIG-SFYZADRCSA-N 460.029 4.814 50 10 JJGE COCc1cc(Br)c([C@@H](Br)c2cc(Br)n(C)n2)s1 2033079595 IRUDNBJMZYEQBB-JTQLQIEISA-N 459.001 4.637 50 10 JJGE C[C@]12CN(C(=O)c3cc(Br)c(Br)s3)C[C@@]1(CBr)C2 2046797580 JUTVPHMQVWULFQ-RYUDHWBXSA-N 458.013 4.520 50 10 JJGE FC(F)(F)c1c(I)cc(CBr)cc1I 2060240675 PSHAXAZZENOVJU-UHFFFAOYSA-N 490.826 4.810 50 10 JJGE O=C(N[C@H]1CCC[C@@H]1CCCl)c1cc(Br)ccc1I 2090559305 JHTIKFSRPQEEPZ-RNCFNFMXSA-N 456.549 4.581 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 2094595517 SDMHDVGRDZYJMS-XHNCKOQMSA-N 472.040 4.909 50 10 JJGE COc1cc(F)c([C@H](Br)c2cnn(C)c2Br)cc1Br 2138161715 RLOABKNJDBHPBJ-NSHDSACASA-N 456.935 4.577 50 10 JJGE CC1(C)[C@@H](Br)CC[C@@H]1NC(=O)c1cc(Br)ccc1Br 2142134785 JUDPEJWXTYBEOH-RYUDHWBXSA-N 454.000 4.894 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@H](Br)C(F)(F)F)C[C@@H]1c1ccccc1 2185529657 OVJCDFBBDHMUMU-OAGGEKHMSA-N 451.327 4.553 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1cc(Br)cc(Br)c1 2204565619 WABSJZHVTYZGAZ-PWURMNTRSA-N 466.011 4.894 50 10 JJGE C[C@@H](CBr)CC1CN(C(=O)c2cc(Br)sc2Br)C1 2222966788 NVIIEZLLRCSALN-SSDOTTSWSA-N 460.029 4.766 50 10 JJGE C[C@@]1(CNC(=O)c2cc(Br)ccc2I)CCC[C@H]1Cl 2271298035 CDHFPPLHAAFXNX-OCCSQVGLSA-N 456.549 4.581 50 10 JJGE C[C@@H]1CCc2c(sc(NC(=O)C(C#N)=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2C(N)=O)C1 2296833129 FAUMZBJJOAKNFO-CYBMUJFWSA-N 476.514 4.686 50 10 JJGE N#CC(C(N)=O)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1 2296835076 VAEKGTIIXLFZRV-MRXNPFEDSA-N 452.750 4.558 50 10 JJGE Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cccc(I)c3)c2)cc1 2297672244 VCSBEWSQROZHBF-UHFFFAOYSA-N 483.309 4.616 50 10 JJGE O=C(NN=Cc1c(F)cccc1Cl)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 2323651811 IHFOWJVDNSNPHG-UHFFFAOYSA-N 452.700 4.760 50 10 JJGE CCN(CC)c1ccc(C=NNC(=O)c2cc(-c3ccccc3)nc(N3CCCCC3)n2)cc1 2323756751 YUUBFMPTJSAPTK-UHFFFAOYSA-N 456.594 4.744 50 10 JJGE C[C@]12CN(Cc3ccc(I)c(Br)c3)C[C@]1(CBr)C2 2325220324 HOBUCSSWRXFKPK-UONOGXRCSA-N 485.001 4.661 50 10 JJGE CC(C)CN1C[C@@H](Br)[C@@H](Cc2ccc(Cl)c(I)c2)C1 2337219013 OPGFACWMUPSKKX-QWHCGFSZSA-N 456.593 4.838 50 10 JJGE Cc1nc(Br)c([C@H](Br)[C@@H](C)c2ccncc2Br)n1C 2337270983 RAUHNMYWDHCGMT-WRWORJQWSA-N 451.988 4.888 50 10 JJGE FC(F)(F)[C@@H]1CN(Cc2ccc(Cl)c(I)c2)C[C@@H]1CBr 2362381970 ZNXLMQCXEMARLE-VHSXEESVSA-N 482.509 4.950 50 10 JJGE Cc1ccc(C(O)(C(=O)NN(C(=O)/C=C/c2ccco2)c2ccccc2)c2ccc(C)cc2)cc1 1955411 DUWDFWUDWXEHFQ-VHEBQXMUSA-N 466.537 4.910 50 10 JJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(OCCOc2ccccc2)cc1 14039490 ZHMZYXOXCRNPNY-INIZCTEOSA-N 489.355 4.680 50 10 JJGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2OC)c1 38658952 ZABJWJRFOJJCNL-RUZDIDTESA-N 486.524 4.930 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccccc2OCc2cccc(F)c2)cc1 58895464 UEZMVURJARUZJZ-VNIQIGACSA-N 450.510 4.767 50 10 JJGE N#C/C(=C\c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)NCc1ccc2c(c1)OCO2 58978698 DIEZFTYYBQPQNS-VXLYETTFSA-N 460.873 4.511 50 10 JJGE Cc1ccc(Cn2cccc(C(=O)N/N=C\c3ccccc3COc3ccccc3)c2=O)cc1 169919955 WMGLUAUOVIJOFA-MIXAMLLLSA-N 451.526 4.548 50 10 JJGE O=C(N[C@@H]1CCCC[C@H]1CCl)c1cc(Br)ccc1I 231604364 VTFCLXTXNQGORW-TVQRCGJNSA-N 456.549 4.581 50 10 JJGE CC(=NNC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1)c1cccc([N+](=O)[O-])c1 254700228 KAJDTCLXORDRMK-UHFFFAOYSA-N 455.474 4.718 50 10 JJGE O=c1sccn1CCC(CBr)(CBr)c1cccc(Br)c1 700211038 HZTHYAUTVYFNAB-UHFFFAOYSA-N 484.051 4.790 50 10 JJGE CCO[C@H]1CCC[C@@H](OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C1 721655288 WJAUOUKIVHBSPX-JKSUJKDBSA-N 467.388 4.555 50 10 JJGE Cc1cc(O[C@H](C)C(=O)NN=Cc2cc(Br)c(O)c(Br)c2)ccc1Cl 725274247 HHELRUVZYHQKGL-SNVBAGLBSA-N 490.579 4.797 50 10 JJGE Cc1csc([C@@H](C)NC(=O)NNC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)n1 727942577 QNVFNFBPXCQRAI-QGZVFWFLSA-N 460.559 4.889 50 10 JJGE COCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)c1C 853509810 DPQICCOWNGGYOC-ZSLRJWJGSA-N 473.573 4.621 50 10 JJGE Cc1cc(C=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)n1-c1ccccc1 1084588433 FAIRRGAQYZJPFC-UHFFFAOYSA-N 486.597 4.683 50 10 JJGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)c1 1772747593 RABIGVQRGUNEIE-UHFFFAOYSA-N 475.501 4.732 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 1865709963 LFOPNIYMKQDOMM-OAHLLOKOSA-N 461.787 4.671 50 10 JJGE CC(C)(C)OC(=O)N[C@H](CBr)Cc1cc(Br)c(Br)o1 1880753413 HJYJSRWBIPWKJS-ZETCQYMHSA-N 461.976 4.635 50 10 JJGE CC1(C)[C@H](Br)CCCN1C(=O)c1cccc(Br)c1Br 1887806842 LSYYGINVPMRNGL-LLVKDONJSA-N 454.000 4.990 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 1992382508 VQGVWLUUMRUFRJ-MRXNPFEDSA-N 463.710 4.518 50 10 JJGE O=C(c1csc(Br)c1Br)N1CCC[C@H](CBr)CC1 2032955611 BKDWCPVIXIHEAV-QMMMGPOBSA-N 460.029 4.910 50 10 JJGE O=C(c1scc(Br)c1Br)N1CCC[C@@](F)(CBr)C1 2039789857 TWPVTWFNKPQRQB-LLVKDONJSA-N 463.992 4.612 50 10 JJGE COc1c(Br)cc(C)cc1[C@H](Br)c1cn(C)nc1Br 2138996206 AJTBFUARICTLIT-NSHDSACASA-N 452.972 4.746 50 10 JJGE Brc1cccc(Br)c1CN1CCC2(CC1)C[C@H](Br)CO2 2173134078 UVNOBRPDPGFTPO-NSHDSACASA-N 468.027 4.730 50 10 JJGE CC1(C)CN(S(=O)(=O)c2ccc(CBr)c(Cl)c2)CCN1Cc1ccccc1 2179790601 GQFAGAGNMFSOFC-UHFFFAOYSA-N 471.848 4.520 50 10 JJGE C[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2Cl)[C@H](C)CN1Cc1ccccc1 2179792618 IOFAKEPQTLNGCH-JKSUJKDBSA-N 471.848 4.518 50 10 JJGE CC(C)(C)[C@H]1[C@@H](Br)CCN1C(=O)c1ccc(I)c(Cl)c1 2185099794 KINDPRBIBONAIB-GXFFZTMASA-N 470.576 4.969 50 10 JJGE Cc1nn(C)c(Br)c1[C@H](Br)c1cc2c(cc1Br)OCC2 2185753805 JJHYKDNCMLCVKL-CYBMUJFWSA-N 464.983 4.673 50 10 JJGE CC(C)N(CCCCCI)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2214705661 VHLCPUOKEOFACS-KRWDZBQOSA-N 452.421 4.949 50 10 JJGE COc1ccc(-n2c(Cl)nc(Cl)c2CBr)cc1I 2254597512 JCMGSTHWAVIZOI-UHFFFAOYSA-N 461.912 4.687 50 10 JJGE CCN(C[C@](C)(CI)OCCc1ccccc1F)C(=O)OC(C)(C)C 2263391608 SIQVMDSYRKIVAC-IBGZPJMESA-N 465.347 4.836 50 10 JJGE CC1(C)[C@@H](NC(=O)c2ccc(Cl)c(I)c2)CC[C@H]1Br 2268347240 TWDOFENCDNAJMV-NEPJUHHUSA-N 456.549 4.627 50 10 JJGE Cc1cc(Br)c([C@@H](Br)C2CC(S(C)(=O)=O)C2)cc1Br 2269873552 ITLFDFYPUAEIAA-RPTIHFLNSA-N 475.040 4.779 50 10 JJGE C[C@H](Cl)c1nc(I)c(CCc2ccccc2)c(I)n1 2271190451 ATMUUEUGQAGNHL-VIFPVBQESA-N 498.533 4.771 50 10 JJGE CCCN(C[C@@H](C)Br)c1ncc(C(F)(F)F)cc1I 2272326337 GNSLMNPDCFKNAK-MRVPVSSYSA-N 451.068 4.705 50 10 JJGE CCOC(=O)C(C#N)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C)cc1 2293039271 WCEMCIGAOMTJBB-LJQANCHMSA-N 471.376 4.747 50 10 JJGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(CC)cc1 2314592977 FKCQUBXGQIPYPQ-NRFANRHFSA-N 451.979 4.631 50 10 JJGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccccc4)cs3)CC2=O)cc1 2331304258 VYGKKPFGVOZMFV-GOSISDBHSA-N 459.527 4.833 50 10 JJGE CC(C)[C@@H](Br)C(C)(C)NS(=O)(=O)c1cc(Br)ccc1Br 2366100526 QPDYAVIJOKOULU-GFCCVEGCSA-N 492.071 4.688 50 10 JJGE ClCc1nc2cncc(Br)c2n1CCC12CC(I)(C1)C2 2381357113 SQUSGGHDZXXSGD-UHFFFAOYSA-N 466.548 4.680 50 10 JJGE CC(C)c1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14040276 CBWZTOSYJYDIOM-MRXNPFEDSA-N 491.426 4.864 50 10 JJGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Br 14644493 BOFYIYOFAJOEAD-KBPBESRZSA-N 491.769 4.638 50 10 JJGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1c(C)cccc1C 14648247 ZVYYIROINPOWGV-UHFFFAOYSA-N 477.399 4.865 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)cc1 14834038 HKLCWUQWTRSVKI-OVCLIPMQSA-N 459.999 4.648 50 10 JJGE C=CCc1ccccc1OCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 20161210 ZIWDBEOLIBTLJI-STBIYBPSSA-N 454.505 4.936 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OC(=O)c1ccc(OC)cc1 33339011 AHKKZABPUSTHRD-RGEXLXHISA-N 460.461 4.998 50 10 JJGE CCCCCOc1ccc(/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1OC 38606677 XVKNWCGSRDSWLI-RCCKNPSSSA-N 454.567 4.672 50 10 JJGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1 38682172 SENFFMXMVRKNIX-DEOSSOPVSA-N 489.509 4.519 50 10 JJGE O=C(NNc1ncnc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-])c1ccc(Cl)cc1 40646575 KQAFRRLHENQNDA-UHFFFAOYSA-N 453.673 4.846 50 10 JJGE Nc1c(NNC(=O)c2ccc(Cl)cc2)ncnc1Nc1cc(C(F)(F)F)ccc1Cl 40682679 CUTZTVWTVAEJEO-UHFFFAOYSA-N 457.243 4.885 50 10 JJGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)C1=O 101332784 VVMFRQBAUZWYOG-HZHRSRAPSA-N 466.541 4.859 50 10 JJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1C 102859636 TUVHMEAQHADDMQ-YHHBSCGTSA-N 468.557 4.615 50 10 JJGE O=C(NC[C@H]1CCC[C@H]1CBr)c1cc(Br)c(Br)s1 126436066 AMNLVNBHNGXHOS-JGVFFNPUSA-N 460.029 4.814 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C=C\c1ccc(C)cc1 206396687 KFZOZJUFAUAIPN-CMEWWFFFSA-N 452.510 4.846 50 10 JJGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCC)c(OC)c2)c(OC)c1 207108619 KXPZKUKUWBGPQZ-JFCNABASSA-N 478.545 4.545 50 10 JJGE COc1cc(C=NNC(=O)[C@@H](OC)c2ccccc2)ccc1OCc1ccc(Br)cc1 252598906 DEIZEWFTBAONEV-QHCPKHFHSA-N 483.362 4.875 50 10 JJGE O=C(CSc1nnc(-c2ccccc2)n1C1CCCCC1)NN=Cc1ccc([N+](=O)[O-])cc1 254349264 KHNYZKXGOKFJTC-UHFFFAOYSA-N 464.551 4.601 50 10 JJGE CCOc1ccccc1C=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(OC)cc1 254715808 TVSJBGFEMIRSMB-UHFFFAOYSA-N 487.585 4.584 50 10 JJGE BrCC(CBr)(Cc1csnn1)c1ccc(Br)cc1 310923330 KCXBZTGHUXKSHK-UHFFFAOYSA-N 455.013 4.571 50 10 JJGE O=C(N[C@H]1CCC[C@H](CBr)C1)c1ccc(I)c(Cl)c1 388120113 JREXSXCJIIIWNL-ONGXEEELSA-N 456.549 4.628 50 10 JJGE CCC[C@H](CCBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 716956208 TUSYUZHEZQFECN-SNVBAGLBSA-N 492.071 4.752 50 10 JJGE C[C@H](Sc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 1084234141 NSHNNQZVSDUCAM-KRWDZBQOSA-N 467.978 4.988 50 10 JJGE Cn1ccnc1Sc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 1084422599 IZZMBAMMNLAEGT-UHFFFAOYSA-N 450.307 4.550 50 10 JJGE C#CCOc1ccc(C=NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 1084498048 DSVNAUJKKHDYRB-GFCCVEGCSA-N 470.150 4.686 50 10 JJGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNc1ccc(F)cc1)CCC2 1772750621 DXJJZWOJRLEWIF-UHFFFAOYSA-N 454.889 4.608 50 10 JJGE CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@H]3C(=O)C[C@@]21C 1848432528 BZFJMQRTSOJYLN-JGEUHHPESA-N 472.698 4.795 50 10 JJGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681792 WZKYMWAJSKKPAW-HSZRJFAPSA-N 450.498 4.780 50 10 JJGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684747 XHBPPXWPSOSLAF-LJQANCHMSA-N 453.315 4.614 50 10 JJGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1C(=O)O)C(C#N)=C(N)O2 1865704059 LSQQPMSPXFAFCG-LJQANCHMSA-N 469.328 4.717 50 10 JJGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714009 AVHBHQRACBEKMP-XMMPIXPASA-N 482.540 4.919 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(NC(C)=O)c3)n2)c(OC)c1OC 1872759648 VHEWRHKTIGTTMS-JZJYNLBNSA-N 451.504 4.744 50 10 JJGE Cc1ncnc(N(Cc2ccccc2)[C@H](C)CCBr)c1I 1888807775 NGWAPBRBFPOXEO-GFCCVEGCSA-N 460.157 4.570 50 10 JJGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)C(=O)c2ccc(CBr)cc2)C1 1982826928 PHWYKJLIMXQIDW-UHFFFAOYSA-N 475.383 4.775 50 10 JJGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N(Cc1ccccc1)CC(F)F 2034755288 CKEJFFHBLNNRAZ-UHFFFAOYSA-N 452.748 4.952 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CCC[C@](F)(CBr)C1 2101310063 JRPMVDDJXQGUFL-ZDUSSCGKSA-N 457.963 4.551 50 10 JJGE C[C@H]1CN(Cc2cc(Br)ccc2Br)C[C@H](CCBr)O1 2122801943 XPQIUIMASNLTFD-GWCFXTLKSA-N 456.016 4.586 50 10 JJGE COc1cc(F)c([C@H](Br)c2cn(C)c(Br)n2)cc1Br 2138163760 YTYDCGVRSQHERU-NSHDSACASA-N 456.935 4.577 50 10 JJGE Clc1cc(CN2C[C@@H]3CCC[C@@H](Br)[C@H]3C2)ccc1I 2142948544 BOQKIQIWSNNNSV-RWMBFGLXSA-N 454.577 4.940 50 10 JJGE Cc1cc(CBr)cc(S(=O)(=O)N(C)C2CC(OCc3ccccc3)C2)c1C 2179854701 XHAFXCVPKOLGSC-UHFFFAOYSA-N 452.414 4.567 50 10 JJGE Cc1cc(C(=O)N2CCC[C@H](CCBr)CC2)ccc1I 2207098191 URQLUFIHTQRCHT-CYBMUJFWSA-N 450.158 4.627 50 10 JJGE Cc1ccc(C(=O)N2CCCC[C@H]2C[C@H](C)Br)cc1I 2232830579 ZHRRBSHWMGUSDD-JSGCOSHPSA-N 450.158 4.768 50 10 JJGE CN(C(=O)c1ccc(Cl)c(I)c1)[C@@H]1CCCC[C@@H]1Br 2268345580 GSKSJTIUUDMOML-GXFFZTMASA-N 456.549 4.723 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CC2(CC[C@@H]1CBr)CC2 2283651501 IATWVAVFOUASNY-LLVKDONJSA-N 468.560 4.724 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@@H](Br)C2(CC2)C1 2295308336 WJXWWZJWTAWTGS-CYBMUJFWSA-N 466.011 4.530 50 10 JJGE COc1cc(C=C2C(=O)N(C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314617681 RIXTYGXSVCBBIT-UHFFFAOYSA-N 457.313 4.803 50 10 JJGE CC(C)[C@H](CBr)N(C)C(=O)c1cc(I)ccc1Br 2318854131 CUMJHUSLZOOFBO-LBPRGKRZSA-N 488.989 4.545 50 10 JJGE COc1ccc(C=NNC(=O)CSc2nc(O)c3c(-c4ccc(C)cc4)csc3n2)cc1OC 2320488231 MGFKKNZDWJZOOF-UHFFFAOYSA-N 494.598 4.632 50 10 JJGE CC(C)(CI)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 2326671097 ASTDHWJYECWXQC-KRWDZBQOSA-N 458.384 4.742 50 10 JJGE CC(C)[C@H](Br)C(C)(C)NC(=O)c1ccc(I)c(Cl)c1 2340407573 UTVWVSYBYIWYND-LBPRGKRZSA-N 458.565 4.873 50 10 JJGE CC(C)[C@@H](Br)C(C)(C)NC(=O)c1cc(Cl)ccc1I 2340413677 UENBSDNJTZAXGE-GFCCVEGCSA-N 458.565 4.873 50 10 JJGE COc1ccc(/C=N/NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 12491206 PYMDIKGPLMVNMR-FOKLQQMPSA-N 492.167 4.903 50 10 JJGE COc1cc(C=NNC(=O)CC2(C)OCCCO2)ccc1OCc1ccc(Cl)cc1Cl 13143505 UJDRHBXBTFHIOJ-UHFFFAOYSA-N 467.349 4.574 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc(OC)c1OC 38660457 FFERCDYDBMFSAO-QHCPKHFHSA-N 492.915 4.803 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCC)c2)cc1 38684887 REOYKIYNQOATOH-RUZDIDTESA-N 456.498 4.921 50 10 JJGE CCCCCCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1 100153695 AUGQLHWCMFTJMG-UHFFFAOYSA-N 453.583 4.833 50 10 JJGE CC(C)[C@@H](CI)NC(=O)c1ccc(Br)cc1C(F)(F)F 232697249 VASDJGOOCHQKGB-LLVKDONJSA-N 464.063 4.657 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CCC[C@@H]1CCCCl 236037731 CFGBFSDLQKOGSZ-NSHDSACASA-N 456.549 4.677 50 10 JJGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(C)cc2)c(OC)c1 254501209 MLYTZGSYXVQUER-UHFFFAOYSA-N 495.620 4.930 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2c(F)cccc2Br)C1 382693271 QWDMFZPQLNCLRW-GHMZBOCLSA-N 484.147 4.974 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cc(F)cc(F)c2)C1 382708489 VSNJDVOTAKFEIX-CRAIPNDOSA-N 457.258 4.752 50 10 JJGE C[C@@H]1C[C@H](Br)CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 401605913 FOKZMRNPTXABFM-APPZFPTMSA-N 466.022 4.550 50 10 JJGE O=C(NCC(F)(F)F)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238507 UIOVIFIPPPVNEN-CQSZACIVSA-N 458.811 4.759 50 10 JJGE CC(=NNC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)cc1 725756772 CNCGXKOAWVSBPW-VWLOTQADSA-N 497.599 4.900 50 10 JJGE CC(CCc1ccccc1)=NNC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 1083885853 UMLOAEAABBEXEG-UHFFFAOYSA-N 454.618 4.743 50 10 JJGE CC(C)Cc1ccc([C@@H](C)C(=O)NN=C2C(=O)N(CCOc3ccccc3)c3ccccc32)cc1 1084080079 HTNOFXSXAVPGIW-OAQYLSRUSA-N 469.585 4.935 50 10 JJGE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)c1 1772748233 ZQLGGFTYRODIQW-UHFFFAOYSA-N 474.517 4.765 50 10 JJGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)cc1O)C(C#N)=C(N)O2 1865681248 IRRUOVNVGJMLGH-IBGZPJMESA-N 457.317 4.761 50 10 JJGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3C)cc1OC 1865693844 ZTQGSZCFEULNOA-SFHVURJKSA-N 475.387 4.541 50 10 JJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865701235 PPVFMWZFJFAMLQ-LJQANCHMSA-N 471.344 4.977 50 10 JJGE COCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)C[C@H]1C 1868342363 TUINSJXYQDBLDG-HDICACEKSA-N 454.644 4.636 50 10 JJGE COCCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)C[C@H]1C 1868565155 JJYKFAUXCFYPCN-BGYRXZFFSA-N 489.649 4.791 50 10 JJGE N#C/C(=C(/O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(Cl)s2)cs1 1872758380 XQWUCLTXVJAVRZ-KAMYIIQDSA-N 486.918 4.912 50 10 JJGE O=C(N[C@H]1CCC[C@H]1CCBr)c1cc(Br)c(Br)s1 2030111101 KMGOJNIWTNBPHR-CBAPKCEASA-N 460.029 4.957 50 10 JJGE CC(C)[C@@H](Br)CCNC(=O)c1ccc(Br)cc1I 2086146372 YUDFPJYILXDMCP-NSHDSACASA-N 488.989 4.593 50 10 JJGE COC[C@@H](C)OC[C@H](Br)CCc1c(Br)cccc1Br 2099443030 NAXHXJMHCIGFGI-GHMZBOCLSA-N 459.016 4.959 50 10 JJGE CN(C(=O)c1ccc(Br)cc1I)[C@H]1CCCC[C@@H]1Cl 2142285639 RZAFYICNUPWCLB-AAEUAGOBSA-N 456.549 4.676 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(F)(F)F)CCN1C[C@@H](CBr)CC1CC1 2169172273 NJLOQGUOOZKFQO-OAGGEKHMSA-N 457.375 4.965 50 10 JJGE CC1(C)C[C@@H](CBr)CN(C(=O)c2ccc(I)c(Cl)c2)C1 2172584896 HHFVWCDVFNOUCR-JTQLQIEISA-N 470.576 4.828 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNc1ccc([N+](=O)[O-])c(Br)c1 2221892607 VEHPOGOSVGMVJB-UHFFFAOYSA-N 452.396 4.675 50 10 JJGE C[C@H](Br)C12CCC(CC1)N2C(=O)c1ccc(Cl)c(I)c1 2283664285 XLHBTPMSHLIECW-IEBVAXJPSA-N 468.560 4.865 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@H](Br)CC12CC2 2295309271 HJUHFKJNBBEPBD-NSHDSACASA-N 466.011 4.673 50 10 JJGE COc1cc(C=NNC(=O)CNc2cccc(C)c2)ccc1OC(=O)c1ccccc1Br 2297324528 AKYULICBPZCKQD-UHFFFAOYSA-N 496.361 4.548 50 10 JJGE BrCC[C@@H]1CCCN1Cc1ccc(I)c(Br)c1 2306219384 LMKYVUAUZMBECU-NSHDSACASA-N 472.990 4.803 50 10 JJGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(-c2ccco2)cs1 2314519571 TVXFYUFPPVHPID-UHFFFAOYSA-N 479.499 4.849 50 10 JJGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2)cc1 2314634263 RKDZBBBUUIHABL-AREMUKBSSA-N 454.482 4.541 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc(OC)c1OC 2314634311 BAJCWVBGVYOJAL-AREMUKBSSA-N 484.508 4.549 50 10 JJGE N=c1[nH]c2ccc(CC(=O)NN=Cc3ccc(OCc4ccccc4)c(Cl)c3)cc2s1 2323602672 RRVPVPYXTYEZEH-UHFFFAOYSA-N 450.951 4.634 50 10 JJGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NN=Cc4cccc(Cl)c4Cl)c(=O)c23)C1 2325903219 HAPWNMCRSCPRDL-VXGBXAGGSA-N 463.390 4.601 50 10 JJGE CCOc1cc(OCC)cc(C(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)c1 2326843786 JRCLZLLRRYBPSB-UHFFFAOYSA-N 477.948 4.818 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CCC[C@@H]1CCCBr 2340064328 PEGLBLXVBKSEAT-NSHDSACASA-N 456.549 4.724 50 10 JJGE Cc1ccc2nc(N(/N=C/c3ccccc3)C(=O)c3cccc(N4C(=O)CCC4=O)c3)sc2c1 9149208 DYSLIKYKHUIHDU-JVWAILMASA-N 468.538 4.939 50 10 JJGE CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 9873950 NPKCWHAYIZWUQY-ZIAGYGMSSA-N 483.790 4.610 50 10 JJGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)CN1C(=O)c2ccccc2C1=O 33377660 GCVCYTGUSTXRDO-PDGQHHTCSA-N 472.884 4.614 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OC 35085371 OBHNWTNINZAGPW-SDQBBNPISA-N 480.702 4.964 50 10 JJGE CCc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813004 RNPQWCDDKJCZSN-NHFJDJAPSA-N 460.490 4.781 50 10 JJGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NCc5cccnc5)c(C)c43)coc2c1C 40826631 WLUXQSGYWUEZIE-DFKUXCBWSA-N 484.556 4.675 50 10 JJGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 58889899 AJHDFYLUACGZAO-CHVMBPBASA-N 497.935 4.800 50 10 JJGE CCn1c2ccccc2c2cc(NC(=O)COC(=O)/C(C#N)=C\c3cc(C)n(CCOC)c3C)ccc21 96447659 NZDCRBZEVRFANQ-JCMHNJIXSA-N 498.583 4.968 50 10 JJGE O=S(=O)(NC[C@H]1CCCC[C@H]1CBr)c1cc(Cl)c(Br)s1 136731315 LFGRCKLCZWHBGA-DTWKUNHWSA-N 465.660 4.644 50 10 JJGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2OC)cc1 205648748 AJSDQXYGDJUXBW-MUWWFZSRSA-N 484.508 4.549 50 10 JJGE CCOc1cc(/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 214330956 OBWLYSMLEGGKOC-YKNQWPHKSA-N 490.531 4.575 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CCCCC[C@H]1CCl 236040023 MVWQSBNSEBCBJK-NSHDSACASA-N 456.549 4.677 50 10 JJGE CCC(=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1ccc(O)cc1 254292875 CHMGXJLYQLYYRM-UHFFFAOYSA-N 471.586 4.971 50 10 JJGE O=S(=O)(c1cc(CCl)ccc1Br)N1CCC(OCc2ccccc2)CC1 383737768 AGPDNXQOGHVBJP-UHFFFAOYSA-N 458.805 4.558 50 10 JJGE CC[C@@H]1[C@H](CCl)CCN1C(=O)c1cc(I)ccc1Br 385636133 JHQMPBYTSYXICQ-TVQRCGJNSA-N 456.549 4.533 50 10 JJGE CC1(CBr)CCN(c2ncc(C(F)(F)F)cc2I)CC1 686108603 JDTMWLZHWXWRHZ-UHFFFAOYSA-N 463.079 4.706 50 10 JJGE C[C@@H]1CCCN(C(=O)c2scc(Br)c2Br)[C@@H]1CBr 688645946 BFEPOSYLUVUYSX-VXNVDRBHSA-N 460.029 4.909 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@H]2CC[C@@H](Br)[C@H]1C2 721566752 PSPYFIHPCSIMLV-GAJTVXKRSA-N 466.011 4.990 50 10 JJGE Cc1occc1C(=O)NC1CCN(C(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)CC1 727332975 OANCXGFFLUOJCX-CJLVFECKSA-N 462.594 4.840 50 10 JJGE O=C(NN=Cc1cc(Br)ccc1O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 1083995626 JIEBVSQRKUPNQN-UHFFFAOYSA-N 472.726 4.824 50 10 JJGE C=CCOc1c(Cl)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1Cl 1084472136 YKUUJPHESOYYNZ-FQEVSTJZSA-N 451.350 4.921 50 10 JJGE CN(C)C(=O)/C(C#N)=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 1084645582 QRKGMFBVGNMTLD-MKMNVTDBSA-N 464.703 4.585 50 10 JJGE Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 1565517831 OUZDAGABTJCKJJ-UHFFFAOYSA-N 475.501 4.775 50 10 JJGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(O)cc2O)c1 1865681894 ZNRFRKWTEKDDJX-DEOSSOPVSA-N 464.525 4.845 50 10 JJGE Cc1ccc(O)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)c1 1865687329 OSCYYXIWKLPPMW-QGZVFWFLSA-N 478.833 4.975 50 10 JJGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1ccc(F)cc1 1865693721 QHZHOYFXKZJPAK-QFIPXVFZSA-N 462.525 4.648 50 10 JJGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865699651 ZDYYLYRCGFJIKQ-OAQYLSRUSA-N 457.921 4.758 50 10 JJGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714822 RACFVIAUSCCCQZ-IBGZPJMESA-N 486.315 4.633 50 10 JJGE C[C@H]1c2ccc(CNC(=O)/C(C#N)=C/c3ccc(Cl)cc3)n2CCN1C(=O)OC(C)(C)C 1866127957 OPYXDYALSGYBDD-HZGBGQKMSA-N 454.958 4.677 50 10 JJGE Cc1c(/C(O)=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1873941009 RPWPPWPZLIOQJS-SDXDJHTJSA-N 453.392 4.793 50 10 JJGE CCCNCc1cc(Br)c(OC[C@H]2C[C@@H]2Br)c(Br)c1 1887832905 LEFITFVEMGUZED-MNOVXSKESA-N 456.016 4.873 50 10 JJGE O=C(c1cc(I)ccc1O)N(Cc1ccccc1)C1(CCl)CCC1 1915768201 JCXAAHICAPQXEP-UHFFFAOYSA-N 455.723 4.801 50 10 JJGE ClCCc1nc2cc(I)ccc2n1-c1csnc1Br 1926861813 JWLLWWWFHKTHDD-UHFFFAOYSA-N 468.545 4.630 50 10 JJGE BrCC[C@@H]1CSCCN1Cc1ccc(Br)cc1Br 2031403710 SNIANNOSSUUIRS-GFCCVEGCSA-N 458.057 4.914 50 10 JJGE FC(F)(F)Oc1ccc(CCl)c(I)c1I 2060225357 AUCKHDFQJPUGCA-UHFFFAOYSA-N 462.374 4.533 50 10 JJGE O=C(NC[C@@H](Br)CC(F)(F)F)c1cccc(Br)c1Br 2119066532 VQSBPKSGUIMXKT-LURJTMIESA-N 467.905 4.657 50 10 JJGE F[C@@H]1CCO[C@@H]1CC(CBr)(CBr)c1cccc(Br)c1 2122535258 WAPYMHGBPCNAFY-CHWSQXEVSA-N 458.991 4.994 50 10 JJGE Cc1sc(CBr)cc1S(=O)(=O)N1CCCC[C@@H](N(C)Cc2ccccc2)C1 2179818830 DTIOUULCNWJEFJ-GOSISDBHSA-N 471.486 4.627 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCCCCC(F)(F)F)C1 2216438667 MKPGSOZBSNRSGX-HNNXBMFYSA-N 465.294 4.940 50 10 JJGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(Br)c(O)cc1O 2248032554 MYMWZHNPIIAZJQ-GFCCVEGCSA-N 457.162 4.676 50 10 JJGE CC[C@H]1[C@@H](CBr)CCN1C(=O)c1ccc(Cl)c(I)c1 2268346446 QKUACJLPRVRYFW-MFKMUULPSA-N 456.549 4.580 50 10 JJGE C[C@]1(CNC(=O)c2ccc(Cl)c(I)c2)CCC[C@@H]1Br 2271302359 SZTVAPCWYOMJJZ-GXTWGEPZSA-N 456.549 4.628 50 10 JJGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(F)cc3)C2=O)cc1 2296835028 OKAMDHVBRFLIOG-XMMPIXPASA-N 471.557 4.877 50 10 JJGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1c(F)cccc1Br 2303545957 ZKSVCCRBWHBJCH-AWEZNQCLSA-N 459.153 4.688 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@](C)(F)C(C)(C)F)CC1 2307673027 DHDLLKRXUJVRGS-MRXNPFEDSA-N 461.331 4.684 50 10 JJGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1ccc(OCc2ccc(C)cc2)cc1 2314617851 BWNXVCHHQNSWPY-UHFFFAOYSA-N 458.558 4.981 50 10 JJGE CSCC[C@H](Cl)CCNCc1ccc(I)c(Br)c1 2325207504 PWVXSNZFNFOZDU-LLVKDONJSA-N 462.622 4.894 50 10 JJGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1Cl 2331377497 FOLUQYRCQSKVMV-GFCCVEGCSA-N 495.944 4.958 50 10 JJGE CC(C)(C)C[C@H](Br)CNC(=O)c1ccc(Cl)cc1I 2340056044 VUZZLKHDIFKDNH-VIFPVBQESA-N 458.565 4.874 50 10 JJGE CC(C)C[C@H](CBr)CN=[S@@]1(=O)CC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 2353824696 NFFQGMSLQUPWNL-LLFIXNMYSA-N 451.471 4.685 50 10 JJGE CC[C@]1(C)[C@H](Br)CCN1c1ncc(C(F)(F)F)cc1I 2361986752 HYCVJNURKBGOGQ-ZYHUDNBSSA-N 463.079 4.847 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CC[C@H]2CC[C@@H](Br)[C@H]1C2 2365598458 QOZHBFZRBIOPEU-GAJTVXKRSA-N 468.560 4.723 50 10 JJGE COc1ccc(/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1COc1ccccc1[N+](=O)[O-] 33307352 PSIJMFLEMKBLPM-ZHZULCJRSA-N 450.472 4.521 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)Nc2nccs2)c(C)n1-c1ccc(I)cc1 34895032 XWFYMZSXBCSBOD-GDNBJRDFSA-N 474.327 4.701 50 10 JJGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1 38700678 YFOXOUJTDABSTI-XMMPIXPASA-N 482.517 4.952 50 10 JJGE O=C(CC[C@H](O)c1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 58886861 GFOPQEQPRKVINB-QMFLXTPQSA-N 472.295 4.581 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 58893136 SUMWBGLGOUWAQD-LPGPRXSPSA-N 471.897 4.871 50 10 JJGE C[C@H](NC(=O)/C(C#N)=C\Nc1ccc(I)cc1)C12CC3CC(CC(C3)C1)C2 217054056 UNIAYJCFMKDNGJ-ZTNMFLNZSA-N 475.374 4.832 50 10 JJGE C[C@H](Br)CCCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 227803185 YGKSPXXQLANPRC-ZETCQYMHSA-N 454.011 4.598 50 10 JJGE O=C(N[C@H]1CCCC[C@H]1CBr)c1cc(Br)c(Br)s1 231612120 FOVUOMQAWALYEU-CBAPKCEASA-N 460.029 4.957 50 10 JJGE COc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)c(OC)c2)cc1 252627872 SDCOZPOOWXRYPN-UHFFFAOYSA-N 454.482 4.840 50 10 JJGE CCO[C@@H]1[C@H](Br)C[C@H]1Oc1cc(Br)c(OC)cc1Br 252855924 LPZISYRXHNSDDR-OASPWFOLSA-N 458.972 4.540 50 10 JJGE Cc1ccc(Cn2c(SCC(=O)NN=Cc3ccc(N(C)C)cc3)nc3ccccc32)cc1 254507313 JVINGLCZQCEXID-UHFFFAOYSA-N 457.603 4.701 50 10 JJGE CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc([N+](=O)[O-])cc2)cc1 263627627 VGDFDTDNLAYNBN-RGNUTHIZSA-N 486.528 4.695 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 398729165 KMVSEAWMTASWQZ-GARJFASQSA-N 466.011 4.847 50 10 JJGE O=c1sccn1CCC(CBr)(CBr)c1ccc(Br)cc1 700211357 LBJWFVBZAIMOKB-UHFFFAOYSA-N 484.051 4.790 50 10 JJGE COc1cc(F)c(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1OC 730503818 HOZSGOFDILTLTA-YBEGLDIGSA-N 479.899 4.819 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)OCCOc2ccc(F)cc2)c(-c2ccc(Cl)cc2)n1 782086818 GUWHZETWHJEKAD-JXAWBTAJSA-N 464.884 4.785 50 10 JJGE CC1=C(C(=O)NN=Cc2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)NC(=S)N1 1084096932 OUHGNMCBTCFYDB-KRWDZBQOSA-N 453.782 4.590 50 10 JJGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 1084644849 FBCMATCSBLHYID-JOCHJYFZSA-N 496.947 4.590 50 10 JJGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3C)cc1OC 1865691144 KKUJJUPRGYIENH-IBGZPJMESA-N 475.387 4.677 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865712012 NSDWSOOBKFRHEN-DEOSSOPVSA-N 482.515 4.973 50 10 JJGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 1865713092 QOMDNWVCRISPEJ-IBGZPJMESA-N 470.316 4.927 50 10 JJGE CCCCC1CCC(C(=O)NNC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)CC1 1865758298 SWHGSNPRMPQBPB-UHFFFAOYSA-N 453.583 4.832 50 10 JJGE CC(C)NCc1cc(Br)cc(Br)c1OC[C@H]1C[C@@H]1Br 1887832120 AEHJFZVXZZSTIF-PWSUYJOCSA-N 456.016 4.872 50 10 JJGE COc1cc(C)c([C@H](Br)c2c(Br)cnn2C)cc1Br 1901694862 AEURBOZJKXZFSH-LBPRGKRZSA-N 452.972 4.746 50 10 JJGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(I)ccc1O 1915075339 CTUXRMHCHSCYOP-CQSZACIVSA-N 488.163 4.813 50 10 JJGE ClCc1cn(-c2cc(Br)c(I)c(Br)c2)cn1 1938593344 CTFCQVKEOCYONC-UHFFFAOYSA-N 476.337 4.741 50 10 JJGE O=C(c1csc(Br)c1Br)N1[C@H]2CC[C@H]1[C@@H](CBr)C2 2039482929 NRHKHOGVYVHRTG-FJXKBIBVSA-N 458.013 4.661 50 10 JJGE O=C(CBr)c1cc(I)c(C(F)F)cc1OC(F)(F)F 2060389118 GRPATOBGLDMAHU-UHFFFAOYSA-N 458.946 4.705 50 10 JJGE BrCC(CBr)(Cc1nncs1)c1ccccc1Br 2066504207 ZXXUCARYWFWDCR-UHFFFAOYSA-N 455.013 4.571 50 10 JJGE O=C(NC[C@@H](CBr)C(F)(F)F)c1c(Br)cccc1Br 2105267833 BNWIQGVDGGERDA-ZCFIWIBFSA-N 467.905 4.515 50 10 JJGE C[C@@H](CCCCCI)NC(=O)c1ccc(F)cc1I 2117891667 AJJKZMMVVYJKIT-JTQLQIEISA-N 489.110 4.544 50 10 JJGE C[C@@H]1C[C@@H](C(F)(F)F)N(C[C@H](Br)C(F)(F)F)CCN1C(=O)OC(C)(C)C 2121770322 GTTYHNANVXCCDK-VWYCJHECSA-N 457.253 4.574 50 10 JJGE COc1c(Br)cc(C)cc1[C@H](Br)c1cc(Br)n(C)n1 2139014991 LVHSBNQNAGZOOG-LBPRGKRZSA-N 452.972 4.746 50 10 JJGE CCCN1CCC[C@@H]([C@@H](Cl)c2cc(Br)sc2Br)S1(=O)=O 2145775582 HGDBFEKCVHHWQQ-ONGXEEELSA-N 465.660 4.757 50 10 JJGE CC[C@@H](CCCBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 2154041930 LTZMNXBDMWELMY-JTQLQIEISA-N 492.071 4.752 50 10 JJGE C[C@@]1(CBr)CC(F)(F)CN1C(=O)c1c(Br)cccc1Br 2159047454 UQRGXMSUMSDBLP-LBPRGKRZSA-N 475.953 4.846 50 10 JJGE C[C@](CI)(OC[C@H]1C[C@]12CCOC2)c1ccccc1Br 2198370563 QGNXDZYHNLWGDS-WQVCFCJDSA-N 451.142 4.543 50 10 JJGE O=S(=O)(N[C@H]1C[C@@H](CCBr)C1)c1c(Cl)cc(Br)cc1Cl 2199060567 VBCVVECFDCJLRW-OTSSQURYSA-N 466.022 4.598 50 10 JJGE COc1cc(NC(=O)OCc2ccccc2)c(C(=O)O)cc1OCC1CC(Br)C1 2268341736 LELVZJMEPSQTFH-UHFFFAOYSA-N 464.312 4.694 50 10 JJGE C[C@H]1C[C@@H](Br)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2277934507 JMJFZLPAMKHKHH-ONGXEEELSA-N 454.000 4.529 50 10 JJGE C[C@H](Br)COCc1cn(-c2c(Br)cc(Cl)cc2Br)nn1 2295835643 PKMRMXANMHVKQZ-ZETCQYMHSA-N 488.405 4.746 50 10 JJGE COC[C@]1([C@H](Br)c2sc(Cl)cc2I)CCCO1 2301086448 ODCPZRHLQQWECG-MNOVXSKESA-N 451.551 4.638 50 10 JJGE CN(C)C(=O)C(C#N)=Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 2313567119 GQDWJOXNXADZOP-UHFFFAOYSA-N 464.703 4.585 50 10 JJGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 2320506776 RHKHUAZBOQBJMT-UHFFFAOYSA-N 488.565 4.763 50 10 JJGE Cc1cccc(Cn2cccc(C(=O)NN=Cc3ccccc3OCc3ccccc3)c2=O)c1 2323620275 RZVONGZZEIEHTJ-UHFFFAOYSA-N 451.526 4.548 50 10 JJGE CN(C)c1ccc([C@@H](CNC(=O)C(C#N)=Cc2cccc(Br)c2)N2CCCCC2)cc1 2329694573 MQXQJBLJFVYFQE-XMMPIXPASA-N 481.438 4.765 50 10 JJGE CC(C)(C)OC(=O)NCC1CC([S@@](C)(=O)=NC[C@@](C)(CBr)C(C)(C)C)C1 2352113329 MUWNEGPZZXYFBY-DRHPXXQESA-N 453.487 4.835 50 10 JJGE CCOC(=O)/C(C#N)=C1/S[C@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(C)cc1 2888296 AOAMTNHLIFEAIC-AZZGVMCLSA-N 471.376 4.747 50 10 JJGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc2ccccc2c1 14768476 KFCKYSLKWYEVEV-AREMUKBSSA-N 454.526 4.891 50 10 JJGE N#CC1=C(S)N[C@@](O)(c2ccccc2)[C@H]([n+]2ccc3ccccc3c2)[C@H]1c1cccc(F)c1 19805030 ICNIBQNMSZJXDY-ZWEKWIFMSA-O 454.550 4.705 50 10 JJGE CCOc1cc(/C=C2/C(=O)N(CCOC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 38606247 VWUNQMQGMIDBMF-FYJGNVAPSA-N 480.948 4.556 50 10 JJGE COc1c(C)cccc1C(=O)N/N=C1/C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 59153638 IVCHOLFKHPCFIU-SZXQPVLSSA-N 468.340 4.991 50 10 JJGE O=C(CSCc1ccccc1Cl)N/N=C1/C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 59158918 RXERRWHALXJLAW-SLEBQGDGSA-N 494.960 4.549 50 10 JJGE O=C(CCCc1ccccc1)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 59165802 BFMPERFUEZFKBB-GNVQSUKOSA-N 490.401 4.882 50 10 JJGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)N/N=C/c1ccc(Cl)c(Cl)c1 71433554 KWQYBGSIQTWFSM-YCPBAFNGSA-N 457.342 4.582 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2cccc(C=NNC(=O)CSc3nc4ccccc4s3)c2)cc1 254428941 QFAFDWHXESWZSC-UHFFFAOYSA-N 497.623 4.615 50 10 JJGE COc1ccc(/C=C(\C#N)C(=O)N=C2N=C3C=CC(Br)=CN3Cc3ccccc32)cc1 254488126 ROBKIEPIALALFX-OHVPFIQRSA-N 473.330 4.596 50 10 JJGE C=CCc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)/C=C/c2ccccc2)c(OC)c1 254867024 YUPKTJFICJGCJC-OKJXZHNYSA-N 470.525 4.572 50 10 JJGE C[C@H]1CCN(C(=O)c2cc(Br)ccc2Br)C[C@@H]1CBr 700431625 ITPNMVWYWKOMDN-UWVGGRQHSA-N 454.000 4.705 50 10 JJGE C[C@@]1(CBr)CCCCN1C(=O)c1cc(Br)cc(Br)c1 723012324 OYLMDIOOLBMFSN-AWEZNQCLSA-N 454.000 4.991 50 10 JJGE Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 1084183403 JVFYQCSOFDGNBL-UHFFFAOYSA-N 456.329 4.970 50 10 JJGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cccc5cccnc45)c(C)c32)cc1 1772745508 CYRDUDODLPNPGE-UHFFFAOYSA-N 468.513 4.868 50 10 JJGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865698905 FWYRHJQSEQHLCK-OAQYLSRUSA-N 457.921 4.758 50 10 JJGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865701251 QFBWFMINDPGUTG-OAQYLSRUSA-N 464.953 4.773 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1ccc(C(=O)O)cc1 1865709036 MAQQQIKRLHPBPP-JOCHJYFZSA-N 466.472 4.654 50 10 JJGE COc1ccccc1CCC(=O)NNC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C 1865758917 AMLZEVDXXFHMQY-UHFFFAOYSA-N 458.345 4.766 50 10 JJGE COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc1OCc1ccccc1 1873794954 KTPQLRAODUMZDQ-WTFDWONZSA-N 469.582 4.664 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@]2(CCC[C@H]2Br)C1 1918939153 NLELADGOJJFSON-UKRRQHHQSA-N 468.560 4.724 50 10 JJGE Cc1cc(Br)ccc1S(=O)(=O)N(Cc1ccccc1)C[C@H](C)Br 1995132911 WBXAGJQJUAURLQ-AWEZNQCLSA-N 461.219 4.732 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@H]([S@](C)(=O)=NCC2(CBr)CCCCC2)C1 2106787057 XRPLXHWSISLIHT-DXPJPUQTSA-N 451.471 4.829 50 10 JJGE CC(C)(CCl)CCCNC(=O)c1ccc(Br)cc1I 2142287119 KUQMSYLSWQAOPX-UHFFFAOYSA-N 458.565 4.829 50 10 JJGE CCn1ncc(Br)c1[C@H](Br)c1cc(Br)c2c(c1)CCO2 2150663514 HSDVLFHHYGURCD-GFCCVEGCSA-N 464.983 4.847 50 10 JJGE BrCCOCC1CCN(Cc2ccc(Br)cc2Br)CC1 2167395070 HGGATNGNXVVNDH-UHFFFAOYSA-N 470.043 4.835 50 10 JJGE CN([C@@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CCBr)s1 2179820132 USFBOXMRWBRAPI-MJGOQNOKSA-N 472.470 4.690 50 10 JJGE CCOc1ccc(-n2c(C)cc(C=C(C#N)C(=O)O[C@H](C)C(=O)N(C)c3ccccc3)c2C)cc1 2297335574 PCWSRFHRIASKAF-OAQYLSRUSA-N 471.557 4.995 50 10 JJGE CC1(C)OCCO[C@@H]1[C@H](Br)c1sc(Cl)cc1I 2300949270 JWVALPLGGZTPFV-PSASIEDQSA-N 451.551 4.636 50 10 JJGE CN(CCCCCI)C1C[C@@H]2C[C@H](C1)CN(C(=O)OC(C)(C)C)C2 2301753998 DFKDYQLWFSVNQO-SJPCQFCGSA-N 450.405 4.559 50 10 JJGE O=C(c1scc(Br)c1Br)N1[C@H]2CC[C@H](C2)[C@H]1CBr 2310106593 VTJRAJTXWHELNE-BKPPORCPSA-N 458.013 4.661 50 10 JJGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(C(C)C)cc2)C(=O)N1c1ccc(OCC)cc1 2314593351 LOFLWPUOVIRYKC-XMMPIXPASA-N 475.614 4.937 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@H]2CC[C@H]1C[C@]2(C)NC(=O)OC(C)(C)C 2327662001 BNWDXWCQKRGEPQ-JFNLIGNMSA-N 489.748 4.954 50 10 JJGE O=[N+]([O-])c1ccc(CBr)cc1OCc1sccc1I 2338754642 JFEGWPUGBDUWSP-UHFFFAOYSA-N 454.083 4.735 50 10 JJGE Cc1ccc(N/C(SCC(=O)N2CCOCC2)=C(/C#N)c2nc3ccccc3s2)cc1 3220859 OVLUEPSFKKSBFI-RELWKKBWSA-N 450.589 4.501 50 10 JJGE Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)o1 9260313 BQWHXMUPMGYKJV-FOKLQQMPSA-N 451.529 4.805 50 10 JJGE COc1ccc(-c2ccc(/C=C3\C(=O)N(CCc4ccccc4)C(=O)C(C#N)=C3C)o2)c([N+](=O)[O-])c1 13898143 HADANSXSOWEXJW-HMAPJEAMSA-N 483.480 4.698 50 10 JJGE CC(C)COc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1Br 14652916 ITIANIKWSZBTSM-UHFFFAOYSA-N 460.155 4.866 50 10 JJGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc2ccccc2c1 14768472 KFCKYSLKWYEVEV-SANMLTNESA-N 454.526 4.891 50 10 JJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1 38658058 UJXWADNDYBAHBU-MHZLTWQESA-N 468.509 4.762 50 10 JJGE O=C(COc1cccc(Br)c1)N/N=C/c1cccn1-c1ccc(Br)cc1 59250317 QBHIUBTUUMNPPW-WSDLNYQXSA-N 477.156 4.531 50 10 JJGE CC1=C(C(=O)N/N=C/c2ccc(Cl)cc2Cl)[C@@H](c2ccc(Br)cc2)NC(=O)N1 59385520 IXVGRAJECBNFGV-WFBSDAATSA-N 482.165 4.534 50 10 JJGE CC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccc(C)cc2)cc1 59500493 FYKWUYZZOIRSBD-WGARJPEWSA-N 494.345 4.699 50 10 JJGE O=C1Cc2cc([C@@H](Br)c3ccc(I)c(Cl)c3)ccc2N1 232343140 IRAVNYOGEMLNFT-OAHLLOKOSA-N 462.512 4.924 50 10 JJGE O=C(NC[C@@H]1CCCC[C@@H]1Br)c1ccc(Br)cc1Br 232460373 RWOIVEIQUKMHRG-CABZTGNLSA-N 454.000 4.895 50 10 JJGE O=S(=O)(c1c(Cl)cccc1Br)N(CCBr)Cc1ccccc1 309942061 HKCOIHRIYIESON-UHFFFAOYSA-N 467.610 4.688 50 10 JJGE O=C(N[C@H]1CCC[C@@H](CBr)C1)c1cc(Br)sc1Br 385058874 QKDCOUTXPCOERH-SFYZADRCSA-N 460.029 4.957 50 10 JJGE Clc1ccc(I)c(CN2C[C@H]3C[C@H](Br)CC[C@H]3C2)c1 405314889 WGXMQOTYCBWSIZ-DMDPSCGWSA-N 454.577 4.940 50 10 JJGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N(CCBr)CC1CC1 688388539 BNJQJHPABLDNRS-UHFFFAOYSA-N 466.022 4.552 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1083938452 OYZPECLZBFKKPH-CNHKJKLMSA-N 463.877 4.690 50 10 JJGE CCOc1cc(C=NNC(=O)COc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1 1084340433 XNOJSTHQKWKUGM-UHFFFAOYSA-N 468.937 4.855 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](CCl)C1 1614642105 LQJNFLNFBRGSBF-MAUKXSAKSA-N 453.720 4.948 50 10 JJGE CCN(CC)c1ccc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)c(O)c1 1614703866 JALSHMUOJSZGOM-GHTZIAJQSA-N 464.391 4.889 50 10 JJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccn2)cc1OCC 1865691515 UQNAUZPEEMCWJW-QHCPKHFHSA-N 459.550 4.625 50 10 JJGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1F 1865691677 YITVYQGBXLMBET-LJQANCHMSA-N 470.426 4.872 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)ccc1OCc1ccccc1 1865693412 JQAVMSDQZBQLBE-SANMLTNESA-N 479.540 4.772 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1OC 1865694737 AKHORQPKKZQVEB-QFIPXVFZSA-N 450.926 4.519 50 10 JJGE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccccc1OCc1ccc(Cl)cc1 1865701308 RXFVLAWYMHOFPL-KRWDZBQOSA-N 460.843 4.889 50 10 JJGE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705684 BWWYJNMZUQZIJA-IBGZPJMESA-N 456.289 4.673 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc(Cl)c1O 1865706982 KLUSFZNATJZIDU-INIZCTEOSA-N 476.842 4.536 50 10 JJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 1865713327 WOLVSPRIXJFBEV-SFHVURJKSA-N 456.289 4.868 50 10 JJGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)N2C(=O)c3ccccc3C2=O)n1 1872754870 MSHFIDMIVZWMGH-DSGGYQJVSA-N 459.527 4.913 50 10 JJGE CCCNCc1cc(Br)c(OC[C@@H]2C[C@H]2Br)c(Br)c1 1887832907 LEFITFVEMGUZED-WDEREUQCSA-N 456.016 4.873 50 10 JJGE ClCc1nc2cc(I)ccc2n1[C@]12C[C@H]1CN(Cc1ccccc1)C2 2038347525 WREOZLOHYUDHDC-YWZLYKJASA-N 463.750 4.611 50 10 JJGE COc1ccc(C=C(C#N)S(=O)(=O)c2cc(Br)ccc2Br)cc1 2040461355 LXQNHEWIWCXJBD-UHFFFAOYSA-N 457.143 4.559 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CC2(CCC2)C[C@@H]1CBr 2151514981 BWYKNDYJJFLJDL-LLVKDONJSA-N 468.560 4.724 50 10 JJGE CN(Cc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(CBr)c(Cl)c2)C1 2179861687 LCDPCDQVAUPRQV-SFHVURJKSA-N 471.848 4.520 50 10 JJGE FC(F)(F)CC1(CBr)CCN(c2ccc(I)cn2)CC1 2188333959 FAZRLDHSLBSEAO-UHFFFAOYSA-N 463.079 4.620 50 10 JJGE CN(c1cccc(Cl)c1)S(=O)(=O)c1cc(CBr)sc1Br 2204445536 MKNOJUFMQLCVCW-UHFFFAOYSA-N 459.612 4.884 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CCC[C@H](CCCl)CC1 2207264661 IDJVSLDMVKHHQK-LLVKDONJSA-N 470.576 4.925 50 10 JJGE CCC(CBr)(CBr)NC(=O)c1sc(C)c(Br)c1C 2218965223 NJTUEWFIKQYVPZ-UHFFFAOYSA-N 462.045 4.796 50 10 JJGE CCn1cc([C@H](Br)c2ccc3c(c2Br)CCO3)nc1Br 2238079652 NYWFROPLHNBTQR-CYBMUJFWSA-N 464.983 4.847 50 10 JJGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cc(F)c(Br)cc1F 2255882168 KBOCAARODMJMTQ-CYBMUJFWSA-N 477.143 4.780 50 10 JJGE C=CC[C@@H](Br)[C@@H]1CCN1C(=O)c1scc(Br)c1Br 2314217406 TYLZOLODAHTQEF-APPZFPTMSA-N 458.013 4.827 50 10 JJGE C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl 2333172514 UDJQOKVZFMMKGS-MBIFOIBRSA-N 484.976 4.716 50 10 JJGE CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)/C(C#N)=C2/Nc3ccccc3N2C)cc1 9445462 PFLXQLGPKPSRJT-DAFNUICNSA-N 466.607 4.757 50 10 JJGE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(Cl)cc1Cl 14038576 AOHXLILKSNKMGK-HNNXBMFYSA-N 459.329 4.654 50 10 JJGE CC(C)(C)c1ccccc1OCC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14666767 YWQUGKLCEBLZFU-UHFFFAOYSA-N 453.366 4.676 50 10 JJGE COc1cc(/C=N/NC(=O)Cn2cc(Br)cn2)ccc1OCc1cccc2ccccc12 20228668 HIDSYNOVLZHMTL-RPPGKUMJSA-N 493.361 4.537 50 10 JJGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1 38651592 PFKBBPLQTPKUKU-DEOSSOPVSA-N 491.341 4.960 50 10 JJGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813351 BXMJWANBCHBBLO-NLRVBDNBSA-N 466.881 4.872 50 10 JJGE CCOc1ccccc1C(=O)Oc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OC 206394255 VOTUHWNTSRKIPS-QNGOZBTKSA-N 456.498 4.536 50 10 JJGE CCOc1ccccc1N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216504182 TUUKANQTWFAHEH-LVWGJNHUSA-N 466.585 4.838 50 10 JJGE C[C@@H](Br)C[C@H]1CCCN1C(=O)c1cc(Cl)ccc1I 311373564 SHAMTNPFMFXWGY-MWLCHTKSSA-N 456.549 4.723 50 10 JJGE O=C(N[C@@H]1CCC[C@@H](CBr)C1)c1ccc(Br)cc1Br 311391095 CZRXDXTZEKPMLT-MWLCHTKSSA-N 454.000 4.895 50 10 JJGE C[C@H](Br)C[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 312435626 WFVBJSMCYGLALT-DTWKUNHWSA-N 465.660 4.881 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(F)c(F)c2)C1 382696100 KSLUIWWOXFNRSS-HOTGVXAUSA-N 457.258 4.752 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2ccc(Br)nc2)C1 382699010 BVBHNMXDVBYUFN-HZPDHXFCSA-N 454.162 4.591 50 10 JJGE C[C@@H]1[C@H](Br)CCCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 384436923 FBONNWSTMZWXRJ-VXNVDRBHSA-N 466.022 4.692 50 10 JJGE BrCc1cc(Br)c(OCCOC2CCOCC2)c(Br)c1 701316149 BFKWARFRNBGFSJ-UHFFFAOYSA-N 472.999 4.681 50 10 JJGE O=C(NNC(=O)c1ccccc1OCc1ccc(F)cc1)N[C@@H](c1ccccc1)c1nccs1 729057072 OUUBIPXAQZOICZ-QFIPXVFZSA-N 476.533 4.595 50 10 JJGE CC(=NNC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1)c1ccc(F)cc1 1084166369 SENSYZRJSNZFLS-UHFFFAOYSA-N 467.566 4.563 50 10 JJGE Cc1cc(C(=O)NN=Cc2ccc(OCc3ccccc3C#N)c(I)c2)c(C)o1 1084180805 NLGWMOOCRQATBG-UHFFFAOYSA-N 499.308 4.716 50 10 JJGE CCCOc1ccc(C=NNC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 1084492463 YCJHETXISVLIDJ-UHFFFAOYSA-N 470.617 4.557 50 10 JJGE C=C(Cl)CSc1nc(C)c(CC(=O)NNC(=O)c2c(Cl)cccc2Cl)s1 1264925333 AIORZJORMOKRTH-UHFFFAOYSA-N 450.800 4.607 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1OC 1865696102 XMLRZEBXEPBNIM-OAQYLSRUSA-N 481.350 4.569 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865709502 WPJVNZZDBUFWHP-HSZRJFAPSA-N 496.498 4.662 50 10 JJGE Cc1ccc(S(=O)(=O)NC/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872747338 XVEXCXPHWJEYKU-ZPHPHTNESA-N 490.404 4.652 50 10 JJGE COc1cc(/C(O)=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c([N+](=O)[O-])cc1OC 1873940846 KBVBJBJFAHXBOM-RGEXLXHISA-N 454.420 4.594 50 10 JJGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CCCS(=O)(=O)C2)c1Br 1922929518 JYCCYYKIJYYNJY-APPZFPTMSA-N 481.069 4.842 50 10 JJGE CC1(C)[C@H](CBr)CCN1C(=O)c1cc(Br)sc1Br 2034122341 IMOIIYRTPHPZFM-ZETCQYMHSA-N 460.029 4.909 50 10 JJGE COc1cc(F)cc(Cn2nc(CBr)c(I)c2C(F)(F)F)c1 2079241057 MWKPVGYHARPEJZ-UHFFFAOYSA-N 493.036 4.597 50 10 JJGE CC1CC(CBr)(N(C)C(=O)c2ccc(Br)cc2Br)C1 2108307165 UPOPZIWQRLDJPP-UHFFFAOYSA-N 454.000 4.847 50 10 JJGE CC(C)(C)OC(=O)NCC[S@](=O)(=NC[C@@H](CBr)C1CCC1)c1ccccc1 2163652082 QCCXPNGDQNATKQ-XGCWNURASA-N 459.450 4.849 50 10 JJGE O=S1(=O)CCc2cc([C@@H](Cl)c3cc(Br)sc3Br)ccc21 2170066162 FQDOPQAYBDTRMH-GFCCVEGCSA-N 456.608 4.931 50 10 JJGE Brc1ccc(Br)c(CN2C[C@H](Br)C[C@@]3(CCCO3)C2)c1 2175149056 FRHCJHLOWQLRNC-HIFRSBDPSA-N 468.027 4.730 50 10 JJGE C[C@H](Cl)CCCc1cn(-c2ccc(Br)cc2I)nn1 2231620606 KLERUBZZOQKWDO-VIFPVBQESA-N 454.537 4.584 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 2257994918 NFWULPTYTLSKAJ-QGFMHUBQSA-N 489.748 4.954 50 10 JJGE CCCN1CCC[C@@H]([C@@H](Br)c2scc(Br)c2Cl)S1(=O)=O 2279292422 JVOMXYYHUUKYER-VHSXEESVSA-N 465.660 4.804 50 10 JJGE CC[C@H](C)[C@@H](CI)NCc1ccc(Cl)c(I)c1 2300238914 QWCOKFPTBGBCPR-TVQRCGJNSA-N 477.555 4.884 50 10 JJGE Cc1cc(-c2ccc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)o2)cc([N+](=O)[O-])c1C 2313545998 VBQWEOKRUXJMGD-UHFFFAOYSA-N 456.502 4.727 50 10 JJGE CCOC(=O)c1ccc(NC(=O)COc2ccc(C=C(C#N)c3nc(O)c4ccccc4n3)cc2)cc1 2314432545 BUJCCIMUZFRXIE-UHFFFAOYSA-N 494.507 4.594 50 10 JJGE N#CC(=C(O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(F)c(F)c2)cs1 2331351647 MBLCDHPOMRENSG-UHFFFAOYSA-N 451.454 4.957 50 10 JJGE Brc1ccc(Br)c([C@@H](Br)[C@H]2COC3(CCC3)CO2)c1 2338788995 AGYIGLKMMIJECP-CHWSQXEVSA-N 454.984 4.986 50 10 JJGE FC1(F)CCN(Cc2ccc(Cl)cc2I)C[C@@H]1CBr 2341028871 ZIBFLRUGQHSXLF-JTQLQIEISA-N 464.519 4.797 50 10 JJGE CCCn1nc(Br)nc1C[C@@H](Br)c1ccccc1Br 2353740990 XBTYJKACBYNRHP-LLVKDONJSA-N 451.988 4.892 50 10 JJGE CCCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 14029478 FHZCFMVEBKUSHS-UHFFFAOYSA-N 459.546 4.891 50 10 JJGE COc1ccc(/C=C(\C#N)C(=O)Nc2sccc2C#N)cc1COc1cc(F)ccc1[N+](=O)[O-] 20258586 DTSXDRVOOXBVDO-LZYBPNLTSA-N 478.461 4.800 50 10 JJGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1cccc2ccccc12 20805540 VAGRLIOEFYWVHL-WKTMJKCCSA-N 470.602 4.860 50 10 JJGE O=C(N/N=C/C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1)c1ccc(Br)cc1 32695854 KOSDTXCXBFVERW-YGCGRPBFSA-N 466.379 4.628 50 10 JJGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCCc3ccccc3)c(Oc3ccccc3Cl)nc12 34864878 WZRVOCUBFOZGAU-SILNSSARSA-N 484.943 4.715 50 10 JJGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)c1 38651578 UBWLBAMSAULJLT-QFIPXVFZSA-N 477.314 4.895 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@H]1c1ccc(F)cc1 38652716 PXXTXVKEFSZZSS-HSZRJFAPSA-N 450.853 4.682 50 10 JJGE COc1ccc(-c2csc(-c3ccc(CNC(=O)CCBr)cc3)n2)cc1OC 170483204 UYTXFFJXWCLOFJ-UHFFFAOYSA-N 461.381 4.896 50 10 JJGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)C1=O 214353275 WCHCNMPSFADSFK-IWIPYMOSSA-N 464.525 4.635 50 10 JJGE COc1ccc(Br)cc1C=NNC(=O)c1cccc(NC(=O)c2ccc(C)cc2)c1 252609358 HSJORKBGRZVUAQ-UHFFFAOYSA-N 466.335 4.782 50 10 JJGE C[C@@H]1O[C@H](C)[C@H]([C@@H](Br)c2cc(I)cc3c2OCC3)[C@H]1C 312371128 PSVJGITXVSKPCP-TXFSYDTDSA-N 451.142 4.722 50 10 JJGE O=C(N[C@H](CCl)C1CCCC1)c1cc(Br)ccc1I 386174957 ZRUYOSMDDXJTRC-CYBMUJFWSA-N 456.549 4.581 50 10 JJGE CC[C@@H]1[C@H](CBr)CCN1C(=O)c1ccc(I)c(Cl)c1 386210511 DGWDBUNIBYEALB-GXFFZTMASA-N 456.549 4.580 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)OCc2nc3ccccc3[nH]2)c(-c2ccc(Cl)cc2)n1 818027590 CLJYCOQKNPLZTG-ATVHPVEESA-N 456.893 4.644 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(-c2ccccc2)n1 918685253 GJCYQDKHNBXJBX-FOQVZNEXSA-N 495.427 4.960 50 10 JJGE C/C(=C\c1ccc(Cl)cc1)C(=O)NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 1160341119 FSPIJOKAMPXBOI-WYMLVPIESA-N 450.951 4.913 50 10 JJGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=NNC(=O)COc3ccccc3)CCC4)c2n1 1772749951 SNDVXRASJCCUSN-UHFFFAOYSA-N 483.524 4.899 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc(OC)c1OC 1772752537 WNJCFYPBBRJFIT-UHFFFAOYSA-N 499.361 4.671 50 10 JJGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1O 1772754998 FYGQUWJCTANOOK-UHFFFAOYSA-N 492.420 4.919 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)c1O 1865684763 XNASKJLGRBXSSJ-QHCPKHFHSA-N 464.525 4.839 50 10 JJGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1cccc(Cl)c1 1865693087 LCTLRVUVWMKKFV-JOCHJYFZSA-N 464.953 4.909 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872746096 RINWAGGQHBNOPG-DQVIVYRFSA-N 459.527 4.932 50 10 JJGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)CC1=O 1872749122 CBDNCEZITNZRAT-VSGPLIKPSA-N 459.527 4.751 50 10 JJGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccccc3)n2)cc1Cl 1872756517 NKOUGNSCAKUICO-SDXDJHTJSA-N 455.923 4.703 50 10 JJGE CC(C)(C)OC(=O)N1CC(N(C[C@@H](CBr)CC2CC2)OCc2ccccc2)C1 1884742748 AFFKJTTVAJSQKJ-LJQANCHMSA-N 453.421 4.851 50 10 JJGE O=C(NCC[C@@H]1CCC[C@@H]1Cl)c1cc(I)ccc1Br 1913712612 DRYWEGSNTXHHFO-ZANVPECISA-N 456.549 4.581 50 10 JJGE CC[C@H](C[C@@H](C)Br)Nc1ncc(I)cc1Br 1988534078 FRJOYFFLYBSREP-VXNVDRBHSA-N 461.967 4.813 50 10 JJGE CN1C(=C(C#N)C(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)Sc2ccccc21 2040463757 MMDDGQDTEIRIFT-UHFFFAOYSA-N 470.963 4.940 50 10 JJGE O=C(CBr)c1ccc(OC(F)(F)F)c(C(F)(F)F)c1I 2055150838 SCTWAEGNMBQQHF-UHFFFAOYSA-N 476.936 4.786 50 10 JJGE BrC[C@H]1CC2(CCC2)CN1c1ncc(I)cc1Br 2069533579 JODAZBZYDNYOFI-SNVBAGLBSA-N 485.989 4.593 50 10 JJGE COC[C@]12C[C@]([C@H](Br)c3cc(Br)sc3Br)(CO1)C2 2085223333 YDMLQATXJJRLRD-YUSALJHKSA-N 461.013 4.905 50 10 JJGE CC(C)(CBr)CCNC(=O)c1ccc(Br)cc1I 2086150177 XNWPRSAUSVMVAE-UHFFFAOYSA-N 488.989 4.595 50 10 JJGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cn(C)c(Br)n1 2089722372 IZTIFUXPEBTILQ-GFCCVEGCSA-N 452.972 4.746 50 10 JJGE C[C@H]1CCN(C(=O)c2c(Br)cccc2Br)C[C@@H]1CBr 2094094502 CMEOAQSHBZXJJJ-UWVGGRQHSA-N 454.000 4.705 50 10 JJGE CCn1nccc1COc1c(Br)cc(Br)cc1CBr 2094281400 XLHSRNMCJRXSPB-UHFFFAOYSA-N 452.972 4.902 50 10 JJGE CC1CC(CBr)(N(C)C(=O)c2c(Br)cccc2Br)C1 2108309088 QHLZKWWACKJVCL-UHFFFAOYSA-N 454.000 4.847 50 10 JJGE C[C@H]1C[C@H](CBr)CCN1C(=O)c1c(Br)cccc1Br 2115831135 HXVRHEDWLGUJEC-VHSXEESVSA-N 454.000 4.847 50 10 JJGE C[C@@]1(CC(CBr)(CBr)c2ccccc2Br)COCCO1 2174170882 ICUUSDKWSXESDG-CQSZACIVSA-N 471.027 4.672 50 10 JJGE O=S(=O)(c1cc(F)c(Cl)c(CBr)c1)N1CCC[C@@H](OCc2ccccc2)C1 2186388309 CPZCIOBVWDJVQF-MRXNPFEDSA-N 476.795 4.744 50 10 JJGE BrC[C@H]1C[C@H]2[C@@H](C1)OCCN2Cc1cc(Br)ccc1Br 2199771295 ALODGHLPRLSSMH-NZVBXONLSA-N 468.027 4.586 50 10 JJGE Brc1cccc([C@@H](CI)OCC23CCC(CC2)OC3)c1 2203670594 XLISAYGWHLFWHU-HWOWSKLDSA-N 451.142 4.901 50 10 JJGE COc1ccc(Br)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)CCBr 2220399650 MFZYRVRQUAKSLQ-AWEZNQCLSA-N 491.245 4.822 50 10 JJGE Cc1cc(Br)c([C@@H](Br)c2nn(C)nc2Br)c(C)c1F 2264465339 ZJTVELIAVHZKGO-SECBINFHSA-N 455.951 4.580 50 10 JJGE CN(C[C@H]1CCC[C@@H]1Br)C(=O)c1ccc(Cl)c(I)c1 2268339932 JWECADLMOSARMN-MNOVXSKESA-N 456.549 4.580 50 10 JJGE Cc1cccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(F)cc3)C2=O)c1 2296834980 IRQGJOUBBMAHKZ-DEOSSOPVSA-N 471.557 4.877 50 10 JJGE O=C(C=Cc1cccc2ccccc12)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1 2313620676 KGTLPRXUDCDVGV-UHFFFAOYSA-N 481.577 4.621 50 10 JJGE COc1cccc(NC(=O)C(C#N)=Cc2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)c1 2314533096 OMLNVYVNAPDQHP-UHFFFAOYSA-N 480.524 4.966 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 2314753304 YDNOFMQHZJDUOM-UHFFFAOYSA-N 495.875 4.682 50 10 JJGE Clc1nccc(N2CCC[C@@]3(CN(Cc4ccccc4)CCO3)C2)c1CBr 2370827205 HOHNFYFOYCVRLF-OAQYLSRUSA-N 450.808 4.501 50 10 JJGE CCCOc1ccc(C(=O)NNC(=O)COc2ccc([C@@H](C)CC)cc2)cc1Br 14647378 WIDXZOQROZPJNM-HNNXBMFYSA-N 463.372 4.591 50 10 JJGE O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1)NNC(=O)c1ccc(Cl)cc1 20922882 HMDMVWPVPORQNP-UHFFFAOYSA-N 498.395 4.794 50 10 JJGE COC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)cc2)c(OC)c1 33378239 OWQQSNDXDZQODP-WZWYAIDGSA-N 469.493 4.973 50 10 JJGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccco2)cc(C)c1Cl 38657482 IULUCYUHWGHINQ-JOCHJYFZSA-N 450.878 4.752 50 10 JJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3)nc3c(C)cccn3c2=O)cc1 39858500 MZUPNVNLVCJOAW-SILNSSARSA-N 494.507 4.518 50 10 JJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cc(Cl)ccc2Cl)c(OCC)c1 40867287 KPIMDQLUBMBEMC-OQLLNIDSSA-N 464.301 4.847 50 10 JJGE N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)N1CCN(c2ccccc2)CC1 59676669 UQPHZRIZDFTSBE-SAPNQHFASA-N 462.893 4.764 50 10 JJGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)NC)cc1 101240434 QZPVMIZUYWPROE-ODENVGOISA-N 460.386 4.728 50 10 JJGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1C 101242623 POTJOOSXTRVWAP-HVBJHMBASA-N 475.545 4.778 50 10 JJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 101340284 KJFVPAMZTULRDA-PXLXIMEGSA-N 483.480 4.698 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1[C@H]2CC[C@@H]1CC(Br)C2 123647843 RUVJWEALSPUKIF-IEESLHIDSA-N 458.013 4.804 50 10 JJGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(OC)cc2)cc1 254865724 LLRWFNWFNLDRJQ-UHFFFAOYSA-N 487.585 4.584 50 10 JJGE CCOc1ccc([C@@H](Br)c2nn(C)cc2Br)c(Br)c1 693123468 UBCISKZOOYQCBG-GFCCVEGCSA-N 452.972 4.828 50 10 JJGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)C(=O)Nc2cccc(Br)c2)c1C 725409954 BJFUEBPUJIRYOW-UHFFFAOYSA-N 467.367 4.562 50 10 JJGE BrC[C@H](CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)C1CC1 1653837704 SAGQRGQQJJLSFG-XMMPIXPASA-N 457.456 4.831 50 10 JJGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1ccccc1)CCC2 1772749061 PRBJPOZKIAFSQS-UHFFFAOYSA-N 465.937 4.902 50 10 JJGE CCCc1nn(CC(C)C)c2c1[C@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865697009 NAAIPFIPZCLKDW-LJQANCHMSA-N 489.414 4.880 50 10 JJGE Cc1ccc(-c2ccc(C(=O)NNC(=O)CCC(=O)c3ccc(Br)cc3)c(C)n2)cc1C 1865756197 LKRCZLXFONIUOY-UHFFFAOYSA-N 494.389 4.860 50 10 JJGE Cc1cccc(OCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)c1C 1865759889 XDUVRYXSDRFJIC-UHFFFAOYSA-N 458.345 4.821 50 10 JJGE CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(F)cc3)sc2c1 1866128074 VRRWHPMZIKIIQD-GHRIWEEISA-N 486.594 4.792 50 10 JJGE COc1cc(OC)c(OC)cc1/C=C(\C#N)c1nc(-c2ccc(OC)c(OC)c2OC)cs1 1872795210 SVBFZLVYNNJIIS-OQLLNIDSSA-N 468.531 4.926 50 10 JJGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@@H]1C[C@@H]1Br 1877420553 ZCECJQJKFICQIQ-IRBZQWRBSA-N 485.422 4.792 50 10 JJGE ClCCc1nc2cc(I)ccc2n1C[C@H]1C[C@H](Br)C1 1887942495 MEBHGFSYSGKUKE-MGCOHNPYSA-N 453.549 4.596 50 10 JJGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1c(F)cccc1Br 1916383624 MRRTXGFUCZRRLS-CQSZACIVSA-N 459.153 4.641 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCCN(C(=O)OC(C)(C)C)C1(C)C 1987925926 FQVDADDEOYEFGP-MRXNPFEDSA-N 463.710 4.660 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H](C2CC2)[C@@H](Br)C1 2030221287 OJCPJLGIDJRPMK-APPZFPTMSA-N 458.013 4.519 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H](Br)CC12CCC2 2038062888 XRTTXMSSSUVOKD-SSDOTTSWSA-N 458.013 4.805 50 10 JJGE CCN(CC)c1ccc(C=C2CCC(C=NNC(=O)c3ccoc3C)=C2N2CCOCC2)cc1 2040465055 VKBWPQLSODTUSS-UHFFFAOYSA-N 462.594 4.614 50 10 JJGE BrCC(CBr)(Cc1cnsc1Br)C1CCOCC1 2055662691 RSLSGDUAOWYWBE-UHFFFAOYSA-N 462.045 4.651 50 10 JJGE CC1(C)CCN(c2ncc(I)cc2Br)C[C@@H]1CBr 2069532788 XFWMNUAZYPPANK-VIFPVBQESA-N 488.005 4.696 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@@H]2[C@H]3CC[C@H]4[C@@H](C3)C[C@H]42)C1 2077680557 LDHRKTBAPVSNKR-RVVRHLEGSA-N 461.384 4.642 50 10 JJGE CC1(C)C[C@@H](CBr)CN1C(=O)c1ccc(I)c(Cl)c1 2127824723 VPPMRXNRLWCFQR-VIFPVBQESA-N 456.549 4.580 50 10 JJGE CC(C)(C)[C@H](CCCl)NC(=O)c1ccc(Br)cc1I 2142284437 CDIFLOWCKBGECF-LBPRGKRZSA-N 458.565 4.827 50 10 JJGE C[C@@H](c1cc(Br)cs1)N(C)S(=O)(=O)c1cc(CBr)cs1 2186572492 FLCCTBJMTCZGRE-QMMMGPOBSA-N 459.250 4.849 50 10 JJGE C[C@H]1CCC[C@](CI)(OCCOCCOCCOCc2ccccc2)C1 2227781466 XJEUDNSAQQSEJO-FPOVZHCZSA-N 476.395 4.637 50 10 JJGE Cc1c(Br)sc([C@@H](Br)[C@H]2C[C@H](S(C)(=O)=O)C2)c1Br 2257535724 UPAKHUGAYJBEDZ-ZKWXMUAHSA-N 481.069 4.841 50 10 JJGE CC1CC(CBr)(CN2CC[C@H](C(F)(F)F)C[C@H]2CNC(=O)OC(C)(C)C)C1 2280053472 AMOZPMKFJWJLEG-DIODGJHASA-N 457.375 4.965 50 10 JJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCOC)cc1Cl 2293039309 MMKCUVPTOVGALU-UHFFFAOYSA-N 464.953 4.651 50 10 JJGE C=CCc1cc(C=C(C#N)C(=O)NC[C@@H]2CCCO2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 2294143931 VKHBRBWEMZWYMB-DEOSSOPVSA-N 491.544 4.503 50 10 JJGE CC(C)[C@@H]1[C@H](Br)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2295312206 VBQLKYZPRBGUIQ-UKRRQHHQSA-N 468.027 4.775 50 10 JJGE CCOC(=O)CCCc1ccc(C(C)=NNC(=O)COc2ccc(Cl)cc2Cl)cc1 2297672086 CFIBHNDCCFVTQU-UHFFFAOYSA-N 451.350 4.798 50 10 JJGE Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)c1 2297710115 SAICFQUVDHMDEY-UHFFFAOYSA-N 484.188 4.878 50 10 JJGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 2314611261 RTNKEUITNQECAG-UHFFFAOYSA-N 481.512 4.696 50 10 JJGE COc1ncc(Br)c(C)c1CN(C)C[C@H](Br)COCc1ccccc1 2319570796 FJAUDKMODQKKLE-INIZCTEOSA-N 472.221 4.573 50 10 JJGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3cccc(NC(C)=O)c3)c(OC)c2)cc1OC 2320506093 BMDPQXKIMOYBRX-UHFFFAOYSA-N 472.497 4.954 50 10 JJGE CCCCO[C@H]1[C@@H](Oc2cc(Br)cc(I)c2)C[C@H]1Cl 2338756914 DYMGURFDFKNHOA-HZSPNIEDSA-N 459.549 4.998 50 10 JJGE CCCO[C@@H]1[C@H](Cl)C[C@H]1OCc1ccc(I)c(Br)c1 2350039401 LNRFJFRCDHKINP-MRVWCRGKSA-N 459.549 4.745 50 10 JJGE BrCCN(Cc1cc(Br)ccc1Br)C1CCOCC1 2353650416 WZKDRMWMAYTMNA-UHFFFAOYSA-N 456.016 4.588 50 10 JJGE CC(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)c(Br)c1 12580278 JVJYRVYQKOPTQT-UHFFFAOYSA-N 497.389 4.845 50 10 JJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(F)cc3)c(OCC)c2)C1=O 38606628 YOAQQWSCINLXAP-HZHRSRAPSA-N 492.547 4.822 50 10 JJGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816102 BSRUFTKOHGQBRW-MTDXEUNCSA-N 474.542 4.686 50 10 JJGE CCCOc1ccccc1/C=C(\C#N)C(=O)Oc1ccc(N2C(=O)c3ccccc3C2=O)cc1 40949069 HKJRVOZPXLBMPZ-KNTRCKAVSA-N 452.466 4.789 50 10 JJGE CCCOc1ccc(/C=N/NC(=O)COc2ccc(CCC)cc2Br)cc1OC 40960087 APRQOCYPMHWGSQ-ZVHZXABRSA-N 463.372 4.728 50 10 JJGE O=C1OC(=O)[C@@H]2[C@@H]1[C@H](c1ccccc1)N(c1ccc(Cl)cc1Cl)C21C(=O)c2ccccc2C1=O 105573938 XKCXHDNMLSAONS-HKBOAZHASA-N 492.314 4.689 50 10 JJGE O=C1CCc2cc([C@@H](Br)c3csc(I)c3)c(F)cc2N1 124424626 UMBZMTKFFPVFBI-AWEZNQCLSA-N 466.113 4.861 50 10 JJGE CCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)c2cc(-c3cccs3)nc(O)n2)cc1 169923489 NSFLBAQESOTKBO-WGOQTCKBSA-N 457.559 4.701 50 10 JJGE Cc1ccc(N(CC(=O)NN=Cc2c(O)ccc3ccccc23)S(=O)(=O)c2ccccc2)cc1C 254403041 PAPLPXJWDNVJSB-UHFFFAOYSA-N 487.581 4.508 50 10 JJGE COc1cc(C=NNC(=O)c2cc3c(s2)CC[C@H](C)C3)ccc1OCC(=O)N1[C@@H](C)CCC[C@H]1C 254490890 IJAZJUMLNZEFSA-GBESFXJTSA-N 497.661 4.814 50 10 JJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc4ccccc4c3)cc2OC)cc1 254747232 WOGGDNUQVBHZEU-UHFFFAOYSA-N 484.508 4.605 50 10 JJGE CCOC(=O)c1c(NC(=O)NN=Cc2ccc(OC)c(Br)c2)sc2c1CCCC2 256017636 XPBVVQSBDDAJEK-UHFFFAOYSA-N 480.384 4.730 50 10 JJGE O=C(N[C@@H](CBr)C1CCCC1)c1ccc(I)c(Cl)c1 386343805 LXPZNMVNVCDZDR-ZDUSSCGKSA-N 456.549 4.628 50 10 JJGE C[C@@H](Br)[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2I)C1 689041854 AQZYVIBTXPCLDU-NXEZZACHSA-N 456.549 4.580 50 10 JJGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3nn(C)cc3Br)c2O1 720043092 NANAEURWOMYUDN-JVXZTZIISA-N 464.983 4.753 50 10 JJGE COc1cc(C=NNC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccc(Br)cc1 1084430062 VQBTVYIQNQOQKJ-UHFFFAOYSA-N 483.318 4.529 50 10 JJGE Cc1c([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cccc1[N+](=O)[O-] 1614628818 FBBDDWZOPBMIFE-FUHWJXTLSA-N 480.302 4.690 50 10 JJGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C#N)=C(N)O2 1865680855 YCSOMPAFNSGEKD-HXUWFJFHSA-N 471.344 4.820 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865684518 ZPPGTUCEEQMFJE-XMMPIXPASA-N 463.541 4.832 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1OCC 1865688999 HENRBOUSUYTWMF-QFIPXVFZSA-N 450.926 4.850 50 10 JJGE CCC[C@H](NC(=O)[C@H](Cc1ccncc1)c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866704611 YXVBEACYGLZFEF-RPWUZVMVSA-N 458.587 4.905 50 10 JJGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CCCS2(=O)=O)c1Br 1922906572 KUXPOOGWWVUWAR-XPUUQOCRSA-N 467.042 4.595 50 10 JJGE BrC[C@@H](Nc1ncc(I)cc1Br)C1CCCC1 2015758976 OYHBLHZUECMUGR-LLVKDONJSA-N 473.978 4.814 50 10 JJGE Brc1cc(I)cnc1N1CC[C@]2(CCC[C@@H]2Br)C1 2069533100 FHMPCUFHKPHWKS-WCQYABFASA-N 485.989 4.593 50 10 JJGE BrC[C@H]1CCN(c2ncc(I)cc2Br)C12CCC2 2070129760 KOSGYWPEOICRFK-SECBINFHSA-N 485.989 4.593 50 10 JJGE C[C@H](CCBr)CCNC(=O)c1ccc(Br)cc1I 2086150715 FBHHLGYHGXCENC-SECBINFHSA-N 488.989 4.595 50 10 JJGE Cn1ncc(Br)c1COc1c(F)cc(Br)cc1CBr 2087325274 LQBKJVYFADFXEA-UHFFFAOYSA-N 456.935 4.558 50 10 JJGE C[C@H]1CCCN(C(=O)c2cccc(Br)c2Br)[C@H]1CBr 2092333192 ODLIDTODFGOXSO-CABZTGNLSA-N 454.000 4.847 50 10 JJGE Fc1cc2c(cc1I)nc(CCl)n2[C@]12C[C@H]1CN(Cc1ccccc1)C2 2099679976 WGXSEDPSMRTPAE-XOBRGWDASA-N 481.740 4.750 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CCC([C@H](F)CBr)CC1 2106952386 LLMDEIVONKIRRA-SECBINFHSA-N 478.019 4.858 50 10 JJGE O=C(NC[C@]1(CBr)C[C@@H]1C(F)(F)F)c1cc(Br)c(Br)s1 2192577239 CPUAZEYPDJZKJW-OIBJUYFYSA-N 499.972 4.966 50 10 JJGE Cc1cc(CBr)ccc1S(=O)(=O)N1CC[C@]1(C)CCOCc1ccccc1 2197754616 QCEWZXPHDMEBPJ-OAQYLSRUSA-N 452.414 4.650 50 10 JJGE O=C(c1cccc(F)c1I)N1CCCC[C@H]1CCCBr 2206649947 CBXLKXREWYBNJC-NSHDSACASA-N 454.121 4.600 50 10 JJGE Cc1cc(F)c(Br)cc1C(=O)N(C)C[C@@H](Br)COCc1ccccc1 2258018099 ZALCRDKISSJHAK-OAHLLOKOSA-N 473.180 4.949 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CCC[C@H]1CCCBr 2295315781 PWXLBBZCUVFCDG-CQSZACIVSA-N 468.027 4.920 50 10 JJGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(F)cc(Br)c1 2303545381 QNYVSUMFOOIJSY-KRWDZBQOSA-N 459.153 4.688 50 10 JJGE C[C@H]1C[C@@H](Br)CCN1Cc1ccc(I)c(Br)c1 2306223504 GMVVBSJUGYLNRA-ONGXEEELSA-N 472.990 4.802 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2C=C(C#N)C(=O)NCc2ccccc2)cc1 2313541056 OGGHDYVJQIKAPW-UHFFFAOYSA-N 466.946 4.640 50 10 JJGE N#CC(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NCc1ccc2c(c1)OCO2 2324868104 GDYRFOYETQENIE-UHFFFAOYSA-N 457.330 4.589 50 10 JJGE CS(=O)(=O)c1ccc([C@@H](Br)c2sc(Cl)cc2I)cc1 2338558091 GGXYHXDNNIPTGB-LLVKDONJSA-N 491.597 4.894 50 10 JJGE O=C(c1ccc(Br)cc1I)N1C[C@H]2CC(Cl)C[C@@H](C2)C1 2364246754 NBRHXIUYVGGCCQ-NXEZZACHSA-N 468.560 4.533 50 10 JJGE CC12CC(C1)[C@@H](CO[C@@H](CI)c1cccc(Br)c1)CO2 2365846344 XMVSHYRPHKDXBH-AYDDYBHNSA-N 451.142 4.757 50 10 JJGE BrCCCN1CCCN(Cc2cccc(Br)c2Br)CC1 2366632966 KUBMMCFQJSZCFW-UHFFFAOYSA-N 469.059 4.504 50 10 JJGE COc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)c1 33301337 OMWNZALRECYKAJ-NDENLUEZSA-N 458.470 4.527 50 10 JJGE O=C(/C=C\c1cccc2ccccc12)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 33569265 QKBYZBDWSJAGPX-ZCXUNETKSA-N 481.577 4.768 50 10 JJGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)c1nc2ccccc2n1C 33588007 QMZFSYXXKXFLKF-OBGWFSINSA-N 463.497 4.755 50 10 JJGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1Br 38678571 RQUOYPGYSBAEGK-XMMPIXPASA-N 491.341 4.960 50 10 JJGE Cc1ccc2cccc(Nc3ncnc(NNC(=O)c4ccc(Cl)cc4Cl)c3N)c2n1 40758672 FYQRXGOBYDZSEC-UHFFFAOYSA-N 454.321 4.723 50 10 JJGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1NN(c1ccccc1)c1ccccc1 40777855 KGFVZVQRQDPNPJ-UHFFFAOYSA-N 490.365 4.743 50 10 JJGE COc1ccccc1C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1 58871224 JICUIJYFINQJQA-AFUMVMLFSA-N 469.335 4.809 50 10 JJGE COc1ccc(/C=C(/C#N)C(=O)Nc2sccc2C(=O)OC(C)C)cc1Cn1nc(C)cc1C 96438299 ZVZLMMSFLJBAEP-ODLFYWEKSA-N 478.574 4.729 50 10 JJGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(OC)cc1 101241720 RQNXYCDBHVIDHE-LBMWUGKUSA-N 488.396 4.730 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C\c1ccc(F)cc1 206689152 QPWNIIUNBFKWHB-KYASWKSUSA-N 460.461 4.660 50 10 JJGE C[C@H](NC(=O)/C(C#N)=C\NCCc1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2 217060086 NOZDZPNWDFFYRS-IWXZPIAGSA-N 456.428 4.710 50 10 JJGE C[C@@]1(CI)CC[C@@H](c2cc(Br)c3c(c2)OCCCO3)O1 312967098 UWPJTTREMYELRT-WFASDCNBSA-N 453.114 4.656 50 10 JJGE Cn1ncc([C@@H](Br)c2cc(Br)c3c(c2)CCCO3)c1Br 709737574 JKOYAMXSGPZNOD-LBPRGKRZSA-N 464.983 4.754 50 10 JJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=CC(Cl)(Cl)Cl 1084265550 DUWVLQJZGJCERE-LLVKDONJSA-N 496.251 4.682 50 10 JJGE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NNc2ccccc2C)c1 1638464513 ULSDTBKFGJYDRF-UHFFFAOYSA-N 455.967 4.787 50 10 JJGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)ccc1F 1865701882 HFSPBCDMYLWWAB-GOSISDBHSA-N 469.314 4.698 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1 1865713066 QBEBUNMNFCUGBY-HSZRJFAPSA-N 452.489 4.964 50 10 JJGE CC/C(=C\C(=O)N[C@@H](C)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867122756 MDGYDAJHFDDQOK-AYYGCFCKSA-N 488.407 4.968 50 10 JJGE COc1cc(Br)c([C@H](Br)[C@H]2C[C@H]2Br)c(OC)c1OC 1887726075 WMSMUXRYSBMWJM-MVKOHCKWSA-N 458.972 4.694 50 10 JJGE Clc1ncn(-c2ccc(I)cc2Br)c1CBr 1982517180 TXCUNYMGNKBGPO-UHFFFAOYSA-N 476.337 4.788 50 10 JJGE CC[C@H](C)[C@@H](CI)NCc1ccc(I)c(Cl)c1 2026564035 PKABODMTXULTDS-TVQRCGJNSA-N 477.555 4.884 50 10 JJGE CCn1ncc(Br)c1[C@H](Br)c1cc(Br)c(OC)s1 2034635373 LGOLTQAOEVSBEN-SECBINFHSA-N 459.001 4.982 50 10 JJGE CC[C@H](C)[C@@H](CBr)NC(=O)c1cc(Br)ccc1I 2081237039 UGCXBNNOAOAFKQ-QPUJVOFHSA-N 488.989 4.593 50 10 JJGE Cc1cc(Br)c([C@H](Br)[C@@H]2CO[C@@H]3COC[C@@H]32)cc1Br 2101883583 AESTZIKYALTYFZ-MHWZDGSBSA-N 454.984 4.617 50 10 JJGE O=S(=O)(c1ccc(Cl)c(CBr)c1)N(Cc1ccccc1)C[C@@H]1CCCO1 2123200182 DOXRMGFPPMWRFR-KRWDZBQOSA-N 458.805 4.605 50 10 JJGE CC1(C)CC[C@@H](CBr)N1C(=O)c1ccc(I)c(Cl)c1 2140849767 IWYIDLKULPVUAT-JTQLQIEISA-N 456.549 4.723 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CCC[C@H](CCCl)CC1 2149737846 KFZCFZSRRMWSRO-LLVKDONJSA-N 470.576 4.925 50 10 JJGE CN([C@H]1CCCCC[C@@H]1Br)S(=O)(=O)c1cc(Cl)c(Br)s1 2172544350 QMLWJDAHRZTHKZ-WPRPVWTQSA-N 465.660 4.881 50 10 JJGE Fc1ccc2nc(CCl)n(C[C@@H]3COCCN3Cc3ccccc3)c2c1Br 2194650263 QPFDSDMECYCWOE-OAHLLOKOSA-N 452.755 4.578 50 10 JJGE C[C@H]1[C@@H](Cl)C[C@H]2CC[C@H]1N2C(=O)c1ccc(Br)cc1I 2207275460 LWVNXLYPZIWEKX-LGYCOIBBSA-N 468.560 4.674 50 10 JJGE C[C@H]1CCCN(C(=O)c2ccc(Cl)c(I)c2)[C@H]1CBr 2268345878 ONLRCCHYBNXATO-ZANVPECISA-N 456.549 4.580 50 10 JJGE O=C(c1csc(I)c1)N1CCC2(CC[C@H](Br)C2)CC1 2272327192 OEDVRKJJNYBECD-NSHDSACASA-N 454.171 4.523 50 10 JJGE COc1cc(OC)c([C@H](Cl)c2cc(I)sn2)cc1Br 2278040979 SGYQILHPXQWKLB-LBPRGKRZSA-N 474.545 4.856 50 10 JJGE O=C(NC1(CBr)CC2(CCC2)C1)c1ccc(Cl)c(I)c1 2283662525 CKNZZZOQGSLBNK-UHFFFAOYSA-N 468.560 4.772 50 10 JJGE CN(C(=O)Cc1cc(Br)cc(Br)c1)[C@@H](CBr)CC1CC1 2295313417 JMRQRYIDQPBHSQ-CQSZACIVSA-N 468.027 4.776 50 10 JJGE COc1ccc(-c2nn(CCC#N)cc2C=C(C#N)C(=O)N(C)CCOc2cc(C)cc(C)c2)cc1 2297435333 LLVRWDHFFDRBNQ-UHFFFAOYSA-N 483.572 4.534 50 10 JJGE CC1(C)OC[C@@H](Cc2ccc(I)c(Br)c2)[C@@H]1Br 2306216749 JLGNEAHMUZPZSU-SKDRFNHKSA-N 473.974 4.785 50 10 JJGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccccc1 2314618120 HOMWEGQDESBCCN-UHFFFAOYSA-N 480.568 4.947 50 10 JJGE Cc1cc(Br)cc(CBr)c1OCc1ncc(I)cn1 2353069936 CBMZDQTUHAQSPT-UHFFFAOYSA-N 497.956 4.626 50 10 JJGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1OCc1ccccc1 14652841 OREXRIAZXPPSIU-UHFFFAOYSA-N 483.362 4.892 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(/N=N/c3ccccc3)cc2)c1[N+](=O)[O-])c1cccnc1 40645908 MZICZUAHADFBAC-BYYHNAKLSA-N 455.438 4.696 50 10 JJGE C=CCOc1c(Cl)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Cl 59565566 VPNUIFQIMZEIKY-JVWAILMASA-N 455.341 4.944 50 10 JJGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1=O 101334130 PGIXODGYYNGARQ-DMGPTTAYSA-N 481.512 4.838 50 10 JJGE CCCOc1ccccc1/C=C/C(=O)Oc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1OC 207004237 OMZDBVVDMMQCAS-YLEGLNDPSA-N 486.524 4.919 50 10 JJGE O=C(c1cc(Br)ccc1I)N(CCCCl)C1CCC1 236030146 MZXQUTMNKGANCY-UHFFFAOYSA-N 456.549 4.677 50 10 JJGE COC(=O)c1ccc(-c2ccc(C=NNC(=O)c3cccc(Br)c3)o2)cc1Cl 252600511 DSAQDOCUIFBFGR-UHFFFAOYSA-N 461.699 4.913 50 10 JJGE CCc1ccc2c(c1)C(=NNC(=O)c1c(-c3ccccc3)nc3n(C)c4ccccc4n13)C(=O)N2CC 254442007 SYXNXFZIFNAHEZ-UHFFFAOYSA-N 490.567 4.556 50 10 JJGE CCCC(=O)[C@H](Br)Cc1cc(I)ccc1Br 300903504 MTCJWDCUAJMOBO-LLVKDONJSA-N 459.947 4.729 50 10 JJGE C[C@@H]1CCCN(C(=O)c2cc(I)ccc2Br)[C@H]1CCl 688668605 VCXNEDKCCQHWCG-RNCFNFMXSA-N 456.549 4.533 50 10 JJGE CN(Cc1cc(Br)cs1)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 918586760 HADGEGBBKUJMRZ-LICLKQGHSA-N 480.391 4.853 50 10 JJGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681793 WZKYMWAJSKKPAW-QHCPKHFHSA-N 450.498 4.780 50 10 JJGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3CCC)cc1OC 1865691868 CTZIMCUOULFFAH-IBGZPJMESA-N 475.387 4.770 50 10 JJGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1ccccc1F 1865693289 MWDRYZJWYVTSBK-JOCHJYFZSA-N 462.525 4.648 50 10 JJGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1ccccc1Cl 1865693879 RKFXRWHOTAVJIR-NRFANRHFSA-N 450.926 4.519 50 10 JJGE CC1(C)C[C@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(CCl)cc2Br)CO1 1915480054 HIRMIQWCQYAULL-KRWDZBQOSA-N 472.832 4.946 50 10 JJGE CC1(NC(=O)c2ccc(I)c(Br)c2)CCC(Cl)CC1 1924729617 ATSVHFWRLLSIJW-UHFFFAOYSA-N 456.549 4.724 50 10 JJGE C[C@H]1CCCC[C@H]1NC(=O)C(C#N)=Cc1cccc(C=C(C#N)C(=O)N[C@H]2CCCC[C@H]2C)c1 2040458633 YEXSDQJWSVTYMB-CVFFRKHJSA-N 458.606 4.890 50 10 JJGE CCN(C[C@@](C)(CI)O[C@H]1[C@H]2CC[C@H]3[C@@H](C2)C[C@H]31)C(=O)OC(C)(C)C 2077677094 AHLOKNSOOPDLLR-GJGMQZNTSA-N 463.400 4.888 50 10 JJGE O=C(N[C@H]1C[C@@H]([C@@H](F)CBr)C1)c1scc(Br)c1Br 2078359705 CMDGHUOHLPRPNZ-BBVRLYRLSA-N 463.992 4.515 50 10 JJGE FC(F)(F)c1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)nc1 2078928618 DQVPFSWIMZICMC-UHFFFAOYSA-N 499.978 4.804 50 10 JJGE COC[C@H](C)OC[C@@H](Br)CCc1cc(Cl)ccc1I 2099447869 SNTPKZUUTOLNOA-JQWIXIFHSA-N 461.565 4.692 50 10 JJGE O=C(N[C@H](CBr)c1ccsc1)c1ccc(I)c(Cl)c1 2119039742 OERRCXAJHVRQFE-GFCCVEGCSA-N 470.557 4.872 50 10 JJGE C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)ccc1Cl 2179789335 PEMWHMWVPVNUFM-MRXNPFEDSA-N 471.848 4.520 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Br)C2 2190677086 GSEVGAQVJRDVDZ-RNJOBUHISA-N 469.974 4.690 50 10 JJGE Brc1cccc([C@H](CI)OC[C@@H]2CC23CCOCC3)c1 2198365527 GCWDYMJPAKBBNO-ZFWWWQNUSA-N 451.142 4.759 50 10 JJGE Br[C@H](c1cc(I)sn1)c1ccc([C@@H]2CCOC2)s1 2223721819 CYZAAMWKUQKVAQ-JMCQJSRRSA-N 456.168 4.797 50 10 JJGE ClC[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncc(I)cc1Br 2231986465 WROMBGQCAAZKSE-XHVZSJERSA-N 455.565 4.825 50 10 JJGE N#CC(C(=O)NCc1ccccc1)=C1C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 2313637858 HQMRRXPWAYSUAB-UHFFFAOYSA-N 472.342 4.589 50 10 JJGE FC(F)(F)C[C@H](CBr)NCc1ccc(Cl)cc1I 2318542077 VLXIWGQXANJLBK-SECBINFHSA-N 456.471 4.750 50 10 JJGE BrC[C@@H]1[C@H]2CC[C@@H](C2)N1Cc1ccc(I)c(Br)c1 2325207423 BOIFXMAUCUMMLG-COPLHBTASA-N 485.001 4.802 50 10 JJGE CCOc1cc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCc1ccccc1F 2328829448 CORRUHAIUXAFSP-NRFANRHFSA-N 485.556 4.653 50 10 JJGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)CN3C(=O)COc4ccc(Cl)cc43)n2)c1 2331325448 ZXOOYMJQYZDMTJ-UHFFFAOYSA-N 483.933 4.699 50 10 JJGE FC(F)(F)[C@H]1[C@H](Cl)CCCN1c1ncc(I)cc1Br 2344080026 SHJQPAFZWIMZMX-RKDXNWHRSA-N 469.470 4.587 50 10 JJGE FC1(F)CCN(Cc2ccc(I)c(Br)c2)C[C@@H]1CCl 2349830112 QLKPQSVBXKTBNA-JTQLQIEISA-N 464.519 4.750 50 10 JJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCC)c(OC)c2)sc2c1CCCC2 1959308 MXGHSJWWJXSXFY-FOWTUZBSSA-N 454.548 4.757 50 10 JJGE Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(OC(=O)c4cccs4)c2)C(C#N)=C(N)O3)cc1 9490015 QSGZMABYPWSTHA-FQEVSTJZSA-N 454.511 4.884 50 10 JJGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl 10683423 CIBGWBPFDJWIBJ-JXFKEZNVSA-N 459.974 4.577 50 10 JJGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1 14030137 MSPUDHRZXRDSGP-UHFFFAOYSA-N 461.996 4.683 50 10 JJGE C/C(CCc1ccccc1)=N\NC(=O)CNc1ccc(Br)cc1Br 20074864 WBGSOMLMEKQPAW-LPYMAVHISA-N 453.178 4.748 50 10 JJGE CC(C)/C(=N/NC(=O)COc1ccc(Br)cc1Br)c1ccccc1 34954094 OBNVBKKWMYHYBD-PYCFMQQDSA-N 454.162 4.767 50 10 JJGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)c1 38684928 NUPDHFCKCVWONM-LMKMVOKYSA-N 474.488 4.815 50 10 JJGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2OC)cc1Cl 38688654 OFMIEVHVFFFTQR-HSZRJFAPSA-N 492.915 4.803 50 10 JJGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1Oc1ccc(Br)cc1 40793536 KAMNZMNVHSBYLM-UHFFFAOYSA-N 469.126 4.677 50 10 JJGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1OC)CCC2 40813129 DPNQLDJOGYZFQT-OGLMXYFKSA-N 481.936 4.981 50 10 JJGE O=C(COc1ccccc1)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 40840316 DWGAWGPABRHPLS-QYQHSDTDSA-N 498.764 4.549 50 10 JJGE CCc1ccc(OCCCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1 40935149 ARCVLJOWYDUZJO-OQKWZONESA-N 458.514 4.830 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccccc2OCCC)c(OC)c1 40994149 HCMOSDDYJDOGRM-WTZKAOCRSA-N 462.546 4.926 50 10 JJGE CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)CCl)cc1OC 97914647 SOBFRWJOWKKPCX-VWLOTQADSA-N 473.013 4.852 50 10 JJGE CN1C(=O)CCc2cc([C@@H](Br)c3csc(I)c3)ccc21 124437359 SDVFHPZDIQNSCQ-OAHLLOKOSA-N 462.150 4.746 50 10 JJGE COc1cc(Br)cc(/C=N\NC(=O)Cc2cc(Cl)ccc2SC)c1OC 169922663 HVEHHXLRWFHKTA-FBHDLOMBSA-N 457.777 4.534 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1c(C)ccc(C)c1C 206738184 QMNBMDPPSCVORB-XKZIYDEJSA-N 488.540 4.811 50 10 JJGE O=C(NCC1(CCl)CCCC1)c1cc(I)ccc1Br 236015229 AQYNSCVSHNVYEJ-UHFFFAOYSA-N 456.549 4.583 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CCC(CCBr)CC1 401151757 XFDOMOJSHKFEIJ-UHFFFAOYSA-N 454.000 4.849 50 10 JJGE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CCl)sc1Br 720024693 DVTDIYIPDVJUSV-INIZCTEOSA-N 491.904 4.782 50 10 JJGE CC(C)(C)N(CCBr)C(=O)c1ccc(I)c(Br)c1 721506257 DBLVIMBKRYJUJU-UHFFFAOYSA-N 488.989 4.689 50 10 JJGE O=C(NCC1(CBr)CCCCC1)c1cccc(F)c1I 721671667 GUNGLNZVUNJHDQ-UHFFFAOYSA-N 454.121 4.506 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)c2cccc(C(F)(F)F)c2)c(-c2ccccc2)n1 761414366 GGXSWGBSUAVYAO-UNOMPAQXSA-N 478.430 4.816 50 10 JJGE Cc1ccccc1NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 782092143 COHNJCBNTLKGBR-WRDGEJPTSA-N 487.947 4.903 50 10 JJGE C[C@@H](C(=O)N/N=C/c1ccccc1Cl)n1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 1615714312 YZMVASYUPLZKOX-OTCWMEENSA-N 490.795 4.742 50 10 JJGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(Cl)cc4)c(C)c32)c1 1772748619 BMCHJGSBONVJSK-UHFFFAOYSA-N 451.910 4.973 50 10 JJGE COc1ccc(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)cc1OC 1858837633 CSPDVLAPRCUUKJ-HNNXBMFYSA-N 493.545 4.722 50 10 JJGE COc1ccc(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1 1865759905 XSFYXUPNWOVXTD-LFYBBSHMSA-N 456.329 4.847 50 10 JJGE CCC[C@@H](NC(=O)Cc1nc(-c2ccccc2C)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866644643 ZVCDKZRVFDARKR-OAQYLSRUSA-N 462.575 4.998 50 10 JJGE Cc1c(OC(=O)C(Cl)Cl)ccc2c1O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 1871386520 ZDAVDDOGJDKQEX-UUASQNMZSA-N 455.677 4.840 50 10 JJGE O=C(NN=CC1=C(N2CCOCC2)C(=Cc2ccccc2)CC1)c1ccc(Br)cc1 2040465806 KOSDTXCXBFVERW-UHFFFAOYSA-N 466.379 4.628 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CCC12CC(CBr)C2 2042668009 YDEOMLKGOFWOHP-UHFFFAOYSA-N 458.013 4.663 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(Br)ccc1Cl 2061268436 TUUQNVBCEODHAN-UHFFFAOYSA-N 469.854 4.738 50 10 JJGE CC1(C)CCN(c2ncc(I)cc2Br)C[C@H]1CBr 2069532786 XFWMNUAZYPPANK-SECBINFHSA-N 488.005 4.696 50 10 JJGE CC[C@H](Br)CN(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2106614542 HNXZTFLLNVOSKV-ZETCQYMHSA-N 454.011 4.550 50 10 JJGE CC1CC(CBr)(N(C)C(=O)c2cc(Br)ccc2Br)C1 2108305578 BHVPKBXUUKJSDW-UHFFFAOYSA-N 454.000 4.847 50 10 JJGE CC1(C)[C@@H](Br)CC[C@H]1NC(=O)c1cccc(Br)c1Br 2142125285 DOOYWSNGDKAHEM-WDEREUQCSA-N 454.000 4.894 50 10 JJGE Cc1nn(C)c([C@H](Br)c2cc(Br)cc3c2OCC3)c1Br 2192376974 WWWYIZMVDGWUHJ-GFCCVEGCSA-N 464.983 4.673 50 10 JJGE Cc1ccc2nc(CCl)n(-c3ccc(Br)cc3I)c2n1 2240290113 ZNQKRYITDWWQQN-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE Fc1cc(Br)ccc1CO[C@@H](CCl)[C@H](I)CCl 2247632705 VFNWAQGWRXLKGU-MNOVXSKESA-N 455.920 4.755 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CBr)OCc1c(F)cc(Br)cc1F 2250051043 KILYZJSJYHZCMY-INIZCTEOSA-N 473.152 4.922 50 10 JJGE C[C@@]1(CBr)C=CCCN1C(=O)c1cc(I)ccc1Br 2264382573 CSGHRNJUWPSNDZ-AWEZNQCLSA-N 498.984 4.609 50 10 JJGE C[C@@]1(CBr)C=CCCN1C(=O)c1ccc(Br)cc1Br 2264397823 CAKGKTOQXBQZOW-AWEZNQCLSA-N 451.984 4.767 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CCC[C@@H]1CCCBr 2295307853 PWXLBBZCUVFCDG-AWEZNQCLSA-N 468.027 4.920 50 10 JJGE N#CC(C(=O)N1CCCCC1)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 2296507210 YJZKRPXAGWIEHK-OAQYLSRUSA-N 496.430 4.888 50 10 JJGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2296720283 IYKSHADMGJPLKU-UHFFFAOYSA-N 466.497 4.658 50 10 JJGE CC[C@H](C)[C@@H](CI)NCc1ccc(Cl)cc1I 2302310176 UYOBSZZHAYUOSD-TVQRCGJNSA-N 477.555 4.884 50 10 JJGE COc1cc(C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314618268 KIZHGUSNWHXSOD-UHFFFAOYSA-N 492.547 4.821 50 10 JJGE O=C(c1scc(Br)c1Br)N1CCC2CC1(CBr)C2 2314868635 MZZAQILSKXPMIT-UHFFFAOYSA-N 458.013 4.663 50 10 JJGE COc1cc(C=NNC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)cc(Br)c1O 2321215854 DBMIXFYCMDCDMA-UHFFFAOYSA-N 476.277 4.576 50 10 JJGE N#CC(=C(O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc3ccccc3c2)cs1 2331239186 SQUVZNKYCZYBGH-UHFFFAOYSA-N 482.477 4.960 50 10 JJGE CCN(C[C@](C)(CI)O[C@@H]1CCOc2ccccc21)C(=O)OC(C)(C)C 2340299394 PFVXXSWHEVJIBI-XLIONFOSSA-N 475.367 4.978 50 10 JJGE CCOc1ccccc1/C=N/NC(=O)COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1 1916291 MCLVYICGNHYTGB-JFLMPSFJSA-N 465.937 4.829 50 10 JJGE Cc1c(Br)cc(NCC(=O)NN=Cc2ccc(Cl)cc2)cc1Br 8809630 HISPMRWCOHSDFB-UHFFFAOYSA-N 459.569 4.736 50 10 JJGE CCc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)c(Br)c1 13977598 IVUHXYDVTQTUIF-UHFFFAOYSA-N 453.336 4.519 50 10 JJGE CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccc(OCC(C)C)cc2)cc1Br 14645720 HOIRIVMDEGJDDK-UHFFFAOYSA-N 477.399 4.984 50 10 JJGE COc1cc(/C=N/NC(=O)c2cc(C3CC3)nc3ccccc23)cc(Br)c1OC 20228205 ZBBYOKNKWJUFDD-WYMPLXKRSA-N 454.324 4.656 50 10 JJGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)c1 40529824 GVQVWMBHPCBCAH-XMMPIXPASA-N 469.453 4.597 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OC(=O)c1ccccc1Cl 96438803 YSZIROAHXWDZIG-ZDLGFXPLSA-N 490.899 4.520 50 10 JJGE C[C@@H]1CCC[C@@](CBr)(NS(=O)(=O)c2ccc(Br)cc2Cl)C1 136586103 VNCDEWQJPZPBLD-QMTHXVAHSA-N 459.631 4.725 50 10 JJGE N#C/C(=C/N1CCCc2ccccc21)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216488869 JBSJZXKQFFDOBA-VYIQYICTSA-N 462.597 4.780 50 10 JJGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\Nc1ccc(OCC)c(OCC)c1 217240537 CFFDMKBLPHWAMW-ZCXUNETKSA-N 451.523 4.899 50 10 JJGE CCOc1ccc(N/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)cc1OCC 217253947 YYVQXXIAGVSCTM-SQFISAMPSA-N 491.329 4.855 50 10 JJGE CCC(CC)(CBr)CNC(=O)c1cc(Cl)ccc1I 230254860 YJQQYZGICAILHS-UHFFFAOYSA-N 458.565 4.876 50 10 JJGE CCOc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(CSc4nncn4C)cc3)c2C)cc1 254405435 NMOBRKYKMGYUJR-UHFFFAOYSA-N 488.617 4.678 50 10 JJGE N#Cc1ccc(C(=O)NN=Cc2c(OCc3ccc(C(=O)O)cc3)ccc3ccccc23)c(F)c1 254559095 XDNGOUDVCCEATK-UHFFFAOYSA-N 467.456 4.892 50 10 JJGE C[C@@H](Cl)c1nc(N)nc(Nc2c(Br)cc(Br)cc2Br)n1 313677459 OJQKLZUONGZUPT-SCSAIBSYSA-N 486.393 4.785 50 10 JJGE Cc1cc(Br)c([C@H](Br)c2cnn(C)c2I)s1 382156142 GMLKOEURWUPWOB-MRVPVSSYSA-N 475.975 4.641 50 10 JJGE C[C@H](Cl)CC(C)(C)CNC(=O)c1cc(Br)ccc1I 393564307 HDTMWWIHBBNWIA-VIFPVBQESA-N 458.565 4.827 50 10 JJGE C[C@@H](CCCCBr)NC(=O)c1cc(Br)ccc1I 398768132 HNQFHNFBGCBDDF-VIFPVBQESA-N 488.989 4.737 50 10 JJGE C[C@@H](Cl)Cc1cn(-c2c(Br)cc(Br)cc2Br)nn1 709330791 MVBMTHDKTFMGJY-ZCFIWIBFSA-N 458.379 4.725 50 10 JJGE CC[C@@](C)(CCBr)NC(=O)c1ccc(I)c(Br)c1 721612219 IAZQIZAUUKAUPA-ZDUSSCGKSA-N 488.989 4.737 50 10 JJGE C[C@H](Br)C[C@@H](C)CNC(=O)c1ccc(I)c(Br)c1 721615535 RMERBPYPKSUWGI-BDAKNGLRSA-N 488.989 4.593 50 10 JJGE CCCOc1ncccc1CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 920746765 GIXXRAADMUROOA-XSFVSMFZSA-N 474.952 4.524 50 10 JJGE O=C(CSc1nc2ccccc2o1)NN=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 1084199997 IATYSVWLTRTTAE-UHFFFAOYSA-N 456.867 4.892 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)COc3ccc(C(C)(C)C)cc3)cc2)cc1 1084363893 DMEMTKYNOFBFDG-UHFFFAOYSA-N 480.586 4.589 50 10 JJGE COc1ccc(NNC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)cc1 1848441011 ORDQEYIVUCFHGP-UHFFFAOYSA-N 477.948 4.995 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)cc1O 1865681188 HFRAWCRSBQNFGI-JOCHJYFZSA-N 470.916 4.881 50 10 JJGE COc1ccccc1-c1ccc(C(=O)NNC(=O)[C@@H](Cc2ccccc2)c2ccccc2)c(C)n1 1865760404 WCWJECLIGZIZCJ-VWLOTQADSA-N 465.553 4.853 50 10 JJGE FC(F)(CBr)[C@H]1CCN(Cc2cc(Cl)ccc2I)C1 1892706356 BBMKNUAKHNFUBP-JTQLQIEISA-N 464.519 4.797 50 10 JJGE C[C@H]([C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)S(C)(=O)=O 1899891452 GKAMNWTVKXTTFD-SJKOYZFVSA-N 462.203 4.897 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@@H](Br)C12CCC2 1914426009 NBVKTZXNLIWOAG-LLVKDONJSA-N 451.984 4.744 50 10 JJGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1ccc(F)cc1Br 1916385833 IKOWQFKXVQJXJO-CQSZACIVSA-N 459.153 4.641 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CC[C@@]2(CCC[C@H]2Br)C1 1918934942 CHQKJVCCBMGHCW-HIFRSBDPSA-N 468.560 4.724 50 10 JJGE Cc1cc(C(=O)N(C)C[C@H](Br)COCc2ccccc2)c(Br)s1 1939963170 YJYMOGPJDLQZHM-AWEZNQCLSA-N 461.219 4.871 50 10 JJGE CC1(C)[C@H](Br)CC[C@H]1NC(=O)c1cc(Cl)ccc1I 2142132111 DPPFCQODYWJYOL-VXGBXAGGSA-N 456.549 4.627 50 10 JJGE Clc1cc(CN2CCC3(CC2)C[C@H]3CBr)ccc1I 2142944085 QULMASXZWZNITE-LBPRGKRZSA-N 454.577 4.942 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CCC[C@@H](Cl)[C@H]1CC2 2154098173 CPBKYXDAUYIHGO-ZKYQVNSYSA-N 468.560 4.818 50 10 JJGE C[C@@]1(CBr)CC(F)(F)CN1C(=O)c1ccc(I)c(Cl)c1 2159048096 AUWKBXULMULQAR-LBPRGKRZSA-N 478.502 4.579 50 10 JJGE Brc1cccc(CN2C[C@H](Br)C3(CCOCC3)C2)c1Br 2174363199 GNHFZSYDOGUPJD-ZDUSSCGKSA-N 468.027 4.588 50 10 JJGE CN([C@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1F 2179861840 NGPFYNMQSXZDDD-DLBZAZTESA-N 476.795 4.742 50 10 JJGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cc(F)c(Br)cc1F 2255882169 KBOCAARODMJMTQ-ZDUSSCGKSA-N 477.143 4.780 50 10 JJGE C[C@H]1CC[C@@H](CBr)N(C(=O)c2ccc(Cl)c(I)c2)C1 2268340231 KWJYUWSWXAQRQD-ONGXEEELSA-N 456.549 4.580 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](OCc2cccc(C3CCC3)c2)[C@H](I)C1 2320668266 BXCFMUKBZHQMIQ-MSOLQXFVSA-N 457.352 4.894 50 10 JJGE COc1ccc(C=CC(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1 2321178305 WWKRGZIQQRWMFR-UHFFFAOYSA-N 456.329 4.847 50 10 JJGE COc1cc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCc1ccccc1Cl 2328799141 DPJBTLKSTKYODH-FQEVSTJZSA-N 487.984 4.777 50 10 JJGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(F)cc3)cs2)CC1=O 2331343778 RVKFDPYRUNODBJ-HNNXBMFYSA-N 463.490 4.582 50 10 JJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2ccc(I)c(Cl)c2)[C@H]1C 2344520857 PVYJDIRLHMXPEV-QXEWZRGKSA-N 456.549 4.579 50 10 JJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2cc(Cl)ccc2I)[C@H]1C 2344521053 RJPHJQQHVIAZJG-AUTRQRHGSA-N 456.549 4.579 50 10 JJGE COc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1 2078340 ZACPUXJKVOHENO-UHFFFAOYSA-N 487.325 4.948 50 10 JJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(Br)o3)cc2)cc1 12492065 JGRIMJWYOSNYJU-UHFFFAOYSA-N 484.350 4.667 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 38654425 PITGUSASRNHCDX-OAQYLSRUSA-N 492.285 4.795 50 10 JJGE N#C/C(=C/c1c(Oc2ccccc2F)nc2ccccn2c1=O)C(=O)Nc1ccccc1Cl 39858727 UFCQEZUKZOYRFZ-SQFISAMPSA-N 460.852 4.825 50 10 JJGE COC(=O)/C(C#N)=C/c1cccc(OC(=O)COc2ccc(C(C)C)cc2Br)c1 40944685 VBJXKNYKNJODGR-RQZCQDPDSA-N 458.308 4.637 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1 96507988 CWPNQIXZUSRPEJ-XYGWBWBKSA-N 455.539 4.945 50 10 JJGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C1=O 101334148 JWCDYPJBNJFCEO-DMGPTTAYSA-N 481.512 4.838 50 10 JJGE Cc1sc2ncn(CC(=O)/C(C#N)=C3/Nc4ccccc4S3)c(=O)c2c1-c1ccccc1 103908168 UZYIABDADMHROR-JWGURIENSA-N 456.552 4.956 50 10 JJGE C[Si](C)(C)c1cc([P+](=O)c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)cc([Si](C)(C)C)c1 199870482 JBIVLCDVMMUPRZ-UHFFFAOYSA-N 489.917 4.646 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H](Br)CC(C)C)cc1Br 226271358 UVROZMREXVYLJN-JTQLQIEISA-N 492.071 4.608 50 10 JJGE C[C@H]1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C[C@@H]1Br 230301162 DLBSPDSPBLMWBG-CBAPKCEASA-N 466.022 4.550 50 10 JJGE Cc1cc(C)nc(SCC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)n1 252624335 PLTXBVOBOWRFRU-UHFFFAOYSA-N 472.412 4.506 50 10 JJGE Cc1ccc2nc(CCl)n(-c3ccc(Br)c(I)c3)c2n1 312609201 PZESMBXHPOMOGP-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE CC1(C)CC(=O)c2sc(NC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)nc2C1 726936001 HYXLPNBJXNRGRQ-GZTJUZNOSA-N 470.558 4.621 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)Oc2ccccc2OCC(F)(F)F)c(-c2ccccc2)n1 727641257 CNCCWJUOHXAYJC-QGOAFFKASA-N 466.419 4.917 50 10 JJGE CCc1ccc(NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1 761380880 DNQDKGQARKPISR-OSEFQUDUSA-N 467.529 4.504 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)OCCOc2ccccc2F)c(-c2ccc(Cl)cc2)n1 782091111 BKBABPPMCNQITP-JXAWBTAJSA-N 464.884 4.785 50 10 JJGE CC(=NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)[C@H]1C[C@H]1c1ccccc1Cl 920361945 DORVSMZJUMFULV-PKTZIBPZSA-N 482.005 4.728 50 10 JJGE C=CCC1(O)CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)CC1 1645771742 CTEYSWAAJSHDBI-XSFVSMFZSA-N 457.496 4.950 50 10 JJGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc([N+](=O)[O-])c2)CCC3)c1C 1772745902 KDLKESDJFKFNPL-UHFFFAOYSA-N 460.490 4.836 50 10 JJGE COc1cc(C=NNC(=O)COc2ccccc2Br)ccc1OCCc1ccccc1 1772754066 OFKZXSFLXHAXQM-UHFFFAOYSA-N 483.362 4.608 50 10 JJGE CCCCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1OCC 1873795019 NROCUPVHLIFQDO-RTJYLNGCSA-N 483.609 4.850 50 10 JJGE Brc1ccc([C@H](Br)c2cc(I)sn2)cc1 1909889565 RYIBHNDBNBBHDQ-JTQLQIEISA-N 458.944 4.995 50 10 JJGE O=C(NCC[C@@H]1CCC[C@H]1Br)c1csc(Br)c1Br 1913752827 CAUYACYNBSXXJK-IONNQARKSA-N 460.029 4.957 50 10 JJGE CC1(C)CN(C(=O)c2c(Br)cccc2Br)C[C@H]1CBr 1914484779 UNMTXIHLNGFPKK-SECBINFHSA-N 454.000 4.705 50 10 JJGE CCN(C[C@](C)(CI)OCC1(C)CC(F)(F)C1)C(=O)OC(C)(C)C 2017229683 ZBWWEMFBDAZVTO-INIZCTEOSA-N 461.331 4.889 50 10 JJGE CC[C@H](C)[C@H](Br)CNC(=O)c1cc(Br)ccc1I 2029977533 MVOXQVHKGKDTKU-GZMMTYOYSA-N 488.989 4.593 50 10 JJGE CC1(C)Cc2cc([C@H](Br)c3cc(I)sn3)ccc2O1 2120030382 CDUSLCITXOTFTR-ZDUSSCGKSA-N 450.139 4.946 50 10 JJGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N1CC[C@@H](OCc2ccccc2)C1 2123267131 DFIQIFMXBPEHCT-GOSISDBHSA-N 458.805 4.523 50 10 JJGE COCC12CC([C@H](Br)c3cc(Br)ccc3Br)(CO1)C2 2141160081 JPNKLAIMZHHFPO-IYXRBSQSSA-N 454.984 4.843 50 10 JJGE Cc1cc(CCl)cc(S(=O)(=O)N(C)[C@H]2CC[C@H]2OCc2ccccc2)c1Br 2156443014 PEEUTRFNZYFTRT-ZWKOTPCHSA-N 472.832 4.865 50 10 JJGE CCN(CC)[C@@H](C)CO[C@@](C)(CI)c1ccccc1Br 2175834627 KQTWWVVJKRJPTF-BBRMVZONSA-N 454.190 4.846 50 10 JJGE O=C(c1c(Br)cccc1Br)N1[C@H]2CC[C@@H]1C[C@@H](CBr)C2 2184573464 FWQIUGQXNXELRH-RTCCRHLQSA-N 466.011 4.990 50 10 JJGE C[C@H](Br)CCCc1cn(Cc2cccc(Br)c2Br)nn1 2189281491 DCZRSAMKQJYRII-JTQLQIEISA-N 466.015 4.958 50 10 JJGE Brc1ccccc1[C@H](CI)O[C@H]1CCN2CCC[C@H]2C1 2199476481 SDZCWNJRGAOEAW-XEZPLFJOSA-N 450.158 4.569 50 10 JJGE COCCN1C[C@H](Cl)[C@@H](c2sc(Br)c(Br)c2Br)C1 2222446936 CRFOVWJAIITDTQ-BQBZGAKWSA-N 482.463 4.689 50 10 JJGE Cc1c([C@H](Br)c2ccc3c(c2Br)CCO3)c(Br)nn1C 2238075132 YGYMVQRGQBEXCP-CYBMUJFWSA-N 464.983 4.673 50 10 JJGE CC1(C)OCCN(Cc2cc(Br)ccc2Br)[C@H]1CBr 2267682702 MIVGJQHUEUKMKX-ZDUSSCGKSA-N 456.016 4.586 50 10 JJGE CC(C)CO[C@@H]1[C@@H](Br)C[C@@H]1Oc1cc(I)ccc1Cl 2272638801 JAYPKZCJFLZWDJ-LEWSCRJBSA-N 459.549 4.900 50 10 JJGE Cc1ncc(Br)cc1-n1c(CCl)nc2cc(I)ccc21 2279955168 GHUCJAAIMBZFLH-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE CC(C)(C)OC(=O)NCc1cccc(Cl)c1NS(=O)(=O)CCC(CCl)CCl 2284963285 QKSJVVUSORXFPR-UHFFFAOYSA-N 459.823 4.590 50 10 JJGE COc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(F)cc3)N(c3ccccc3)C2=O)cc1 2295982106 CTCHJZVHMVQGIX-HSZRJFAPSA-N 473.529 4.899 50 10 JJGE COc1cc(NC=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc(OC)c1OC 2296048046 OLIFPIBKNYBEPS-UHFFFAOYSA-N 461.499 4.919 50 10 JJGE CC1(C)OC[C@H](Cc2ccc(I)c(Br)c2)[C@@H]1Br 2306216747 JLGNEAHMUZPZSU-CABZTGNLSA-N 473.974 4.785 50 10 JJGE N#CC(=Cc1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)N1CCN(c2ccccc2)CC1 2313567732 NOVNBEXWTHAVSO-UHFFFAOYSA-N 461.905 4.554 50 10 JJGE O=C(NCC(F)(F)C(F)(F)CI)c1scc(Br)c1Cl 2336525982 AWMNFEUTIYTKLU-UHFFFAOYSA-N 494.473 4.599 50 10 JJGE CC(C)[C@@H]1[C@H](Br)CCN1C(=O)c1ccc(Cl)cc1I 2340056444 DZLMGWFEVAWOJI-DGCLKSJQSA-N 456.549 4.579 50 10 JJGE Fc1cnc(OCc2ccc(I)c(Br)c2)c(CCl)c1 2350072643 CDGIHHCPGKJRJV-UHFFFAOYSA-N 456.480 4.906 50 10 JJGE BrC[C@@H]1N(Cc2cccc(Br)c2Br)CC12CCOCC2 2381035238 VYFAVBZBGHROQN-ZDUSSCGKSA-N 468.027 4.588 50 10 JJGE CC(C)(C)C1=C(C#N)[C@@H](c2cccs2)C(C#N)=C(NC(=O)NC(=O)c2c(F)cccc2F)O1 1048743 ZDCCQMCNBLKRHS-QGZVFWFLSA-N 468.485 4.839 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc(Cl)cc4Cl)c(=O)c32)cc1OC 2351305 HNZDRMJKJUPKKI-JOCHJYFZSA-N 498.366 4.747 50 10 JJGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 14644907 BQKJPAIQCIKCLY-CQSZACIVSA-N 498.432 4.521 50 10 JJGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)NCc1ccco1 35129078 RYHBXRUCKUJGEQ-UVTDQMKNSA-N 481.295 4.610 50 10 JJGE CCn1c(-c2ccc(C(=O)NNC(=O)c3ccccc3Br)s2)nc2ccccc21 35554018 UIFAOGKLFUIWIF-UHFFFAOYSA-N 469.364 4.622 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-])c1ccc(F)cc1 40657976 MJBNHCPRUUTPDI-UHFFFAOYSA-N 470.770 4.697 50 10 JJGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1)CCC2 40803998 YNKCPIAIWGBLNY-WPWMEQJKSA-N 451.910 4.973 50 10 JJGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1C)CCC2 40811560 RBLSCEGDCLCDDF-XHLNEMQHSA-N 473.529 4.796 50 10 JJGE COc1cc(/C=N/NC(=O)COc2ccccc2Br)ccc1OCc1ccccc1C 40911565 VZSDFRGYYPIYDA-VULFUBBASA-N 483.362 4.874 50 10 JJGE COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)ccc1OS(=O)(=O)c1ccc(F)cc1 50574964 GSBNIXXYKVHEAU-ATVHPVEESA-N 463.490 4.851 50 10 JJGE O=C(N[C@H]1CCCC[C@@H]1CBr)c1cc(Cl)ccc1I 231614433 RBSHDNPGKIZMEB-RNCFNFMXSA-N 456.549 4.628 50 10 JJGE COc1cc(C[C@@H](Br)c2ccc(Br)cc2Br)ncn1 234986514 PHXDMIQRPGJOPI-GFCCVEGCSA-N 450.956 4.689 50 10 JJGE COc1cc(C=NNC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc(I)c1O 252613119 IYQVPDMRIOLQMI-DLBZAZTESA-N 492.357 4.557 50 10 JJGE O=C(Cc1ccccc1)NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 254837025 NLQYJCYAJSEGIF-UHFFFAOYSA-N 478.504 4.818 50 10 JJGE CN(C)c1cccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1 382701690 CWAJLRCIBNGFLI-AZUAARDMSA-N 464.347 4.540 50 10 JJGE C[C@@H](Br)C1CCN(c2ncc(C(F)(F)F)cc2I)CC1 686109763 ODVCLEOPMHUQCY-MRVPVSSYSA-N 463.079 4.705 50 10 JJGE Cc1ccc(-n2nc(C)c(CC(=O)NNC(=O)c3c(Cl)cccc3Cl)c2C)cc1Cl 727792034 FSTCJZWKBIMGMM-UHFFFAOYSA-N 465.768 4.761 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](c2ccccc2OC(F)F)[C@@H](CI)C1 1614628130 MOBXHKPWAXUJJZ-AAEUAGOBSA-N 453.267 4.674 50 10 JJGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745071 QBAOQWGFBSYKCB-UHFFFAOYSA-N 466.881 4.872 50 10 JJGE COc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccccc1C 1772760381 HRJADYAUIYJXCI-UHFFFAOYSA-N 460.559 4.701 50 10 JJGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1ccccc1Cl 1865694322 WNRVIFPVTWISTR-FQEVSTJZSA-N 450.926 4.714 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)c(OC)c1 1865708031 MDDGIRCVDZXBNX-HXUWFJFHSA-N 457.317 4.723 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865708101 NZCWHHCLRKEQTF-QHCPKHFHSA-N 450.498 4.531 50 10 JJGE Cc1nnc([C@H](CC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c2ccccc2)o1 1867025839 ADKWCEVIPSBXMM-ILBGXUMGSA-N 497.580 4.969 50 10 JJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2snc3ccccc23)cc1 1867267358 DUVFJJIAENRJRM-OAQYLSRUSA-N 474.567 4.555 50 10 JJGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OC)c(OCc4ccccc4)c3)nc2c1 1872727455 BVGNCVWGXJVEJM-UDWIEESQSA-N 467.481 4.774 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1Cl 1872757474 HZXJWWSHKCEDTD-XSBGSACPSA-N 465.918 4.949 50 10 JJGE O=C(c1scc(Br)c1Br)N1CC(F)(F)C[C@H]1CBr 2041121661 LLNPFDRSRCSSOX-YFKPBYRVSA-N 467.955 4.518 50 10 JJGE CC(C)N(C[C@H](C)Br)C(=O)c1ccc(Br)cc1I 2086152168 XZWWZXWMGXVIJQ-VIFPVBQESA-N 488.989 4.688 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2CCC[C@@]2(CBr)C1 2103173954 XVANOAYZWCEDOL-AMIZOPFISA-N 472.040 4.910 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CCCCC[C@H]1CCl 2142285682 SRKOTCWSWHGLNT-NSHDSACASA-N 456.549 4.677 50 10 JJGE CC(C)(C)OC(=O)Nc1cccc([S@@](C)(=O)=NCC2(CBr)CCOCC2)c1 2163057287 AEKMJMIRRUMNIT-HHHXNRCGSA-N 461.422 4.682 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@](C)(=O)=NC[C@@H](CBr)c2ccccc2)C1 2192628664 ZBRBKYQCCQHBRR-SDUYNEGPSA-N 459.450 4.566 50 10 JJGE COc1ccc(Br)cc1S(=O)(=O)N(Cc1ccccc1)C1(CCl)CCC1 2227661626 FCDGDHKXLJMLIV-UHFFFAOYSA-N 458.805 4.810 50 10 JJGE O=C(N[C@H](CBr)[C@@H]1CC=CCC1)c1ccc(Cl)c(I)c1 2283665476 VXUDUSHEWMFOHO-QMTHXVAHSA-N 468.560 4.794 50 10 JJGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccccc3)C2=O)cc1 2296507207 YIYIPKVRYGAWFX-RUZDIDTESA-N 467.594 4.992 50 10 JJGE CCCCN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)CC(C)(C)CI 2306819828 XYYUIXQHVYDUBZ-INIZCTEOSA-N 452.421 4.949 50 10 JJGE CCn1cc(C=NNC(=O)c2ccc3nc(Cc4ccc(OC)cc4)[nH]c3c2)c2ccccc21 2323720779 FODSSPUKMADDBN-UHFFFAOYSA-N 451.530 4.901 50 10 JJGE C=CC[C@H](Br)[C@H]1CCN1Cc1ccc(I)c(Br)c1 2325212459 DYVTUNAJDLIELH-SMDDNHRTSA-N 485.001 4.968 50 10 JJGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)c1 2331325264 DGOXZHGZSYBFOU-UHFFFAOYSA-N 494.529 4.522 50 10 JJGE C=CC[C@@H](Br)[C@@H]1CCN1C(=O)c1cc(I)ccc1Br 2335809226 DWOJKBXDQJDKBT-OLZOCXBDSA-N 498.984 4.608 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCS(=O)(=O)C1 2339673495 BIDAGTFGSHNKRP-XCBNKYQSSA-N 479.003 4.530 50 10 JJGE CN1CCC[C@@]1(C)CO[C@@](C)(CI)c1ccccc1Br 2362025285 NBPKGQZEOYRBPT-HOTGVXAUSA-N 452.174 4.600 50 10 JJGE CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@@]3(CBr)CC3(F)F)C2)CC1 2379985923 LYHWTXTUHNUOLZ-LPHOPBHVSA-N 451.396 4.766 50 10 JJGE CCC(C)(C)c1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 8905724 QIVRWRIGXQCXKB-CQSZACIVSA-N 453.366 4.675 50 10 JJGE CC(C)(C)c1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1 14041900 ODYYZJNRSLXXKC-UHFFFAOYSA-N 475.614 4.555 50 10 JJGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc2ccccc2s1 35519512 CCYHXCOFPGIHKC-NTEUORMPSA-N 463.500 4.743 50 10 JJGE O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12)NNC(=O)c1ccccc1[N+](=O)[O-] 39852753 LLZOQURSDMPRHM-UHFFFAOYSA-N 477.908 4.575 50 10 JJGE Cc1c(C(=O)Nc2ccccc2F)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825732 OGIDLPSSMYOFHX-TWKHWXDSSA-N 456.477 4.998 50 10 JJGE Cc1ccc(NCCCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc1 59507930 OMDFIJVWHRZWNC-SSDVNMTOSA-N 469.177 4.568 50 10 JJGE CCCCCCCCOc1ccc(OCC(=O)N/N=C/c2ccc(OC)c(OC)c2OC)cc1 103627842 WBANTIJARWKJRK-OVVQPSECSA-N 472.582 4.981 50 10 JJGE COc1ccc([C@H](C)NC(=O)/C(C#N)=C\N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 217177005 FBJUGGXLZWWSBX-QPQZTTLASA-N 480.612 4.687 50 10 JJGE CC1CCC(CBr)(NC(=O)c2ccc(F)cc2I)CC1 232804938 RUEKGUVPROTUPE-UHFFFAOYSA-N 454.121 4.504 50 10 JJGE O=C(N[C@@H]1CCC[C@@H](CBr)C1)c1cc(Br)cc(Br)c1 311456752 DSMJIMVOJMRTCU-NOZJJQNGSA-N 454.000 4.895 50 10 JJGE CCOc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1 382728245 SBHVNOFTUZEFHQ-AZUAARDMSA-N 465.331 4.873 50 10 JJGE CCOc1ccc(Br)cc1[C@@H](Br)c1nn(C)cc1Br 710306239 DUWSWZVCEUCTMK-GFCCVEGCSA-N 452.972 4.828 50 10 JJGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1cccc2ccccc12 1084291210 VAGRLIOEFYWVHL-IBGZPJMESA-N 470.602 4.860 50 10 JJGE C/C(=C\C(=O)NNc1c(Br)cc(Br)cc1Br)C1CC1 1147838004 OMDQCUNBPBTNMZ-QPJJXVBHSA-N 452.972 4.774 50 10 JJGE C=CCN(C)CCN(CC)C(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C 1156668608 WFUYIXWOSSUPAD-RCCKNPSSSA-N 458.528 4.986 50 10 JJGE CC(=O)N1CCCCC[C@@H]1C1CCN(CCP(=O)(c2ccccc2)c2ccccc2)CC1 1615451127 LNEXUXLGNPVXAK-HHHXNRCGSA-N 452.579 4.504 50 10 JJGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772749803 OXOVEBUAXLXYFT-UHFFFAOYSA-N 452.514 4.788 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)c1OC 1865700889 HAKGEYPFJXGOFX-MRXNPFEDSA-N 476.842 4.780 50 10 JJGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865710614 CPQVYHKDJNLBFO-JOCHJYFZSA-N 480.952 4.722 50 10 JJGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)CCC(=O)c1cccs1 1865759370 XBAPGPSEAVNINN-UHFFFAOYSA-N 462.358 4.849 50 10 JJGE CCc1ccc(-c2nc(CC(=O)N[C@@H](CC)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1867180037 FHEJBMPZUWMQSK-NRFANRHFSA-N 462.575 4.862 50 10 JJGE CC[C@H](NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867194418 AYCVMPFZNXAKNY-NRFANRHFSA-N 496.596 4.994 50 10 JJGE O=C(NCCCCCI)c1c(Br)cccc1Br 1945333242 NCCMZNRTNKVHIH-UHFFFAOYSA-N 474.962 4.547 50 10 JJGE CC1(COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)CC(F)(F)C1 2017228860 QWGYZBCMZFVQOT-UHFFFAOYSA-N 459.315 4.643 50 10 JJGE C[C@H](CBr)[C@@H]1CCCCN1c1ncc(I)cc1Br 2069529681 RUMKYBMRQMBOIZ-SKDRFNHKSA-N 488.005 4.839 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@]12C[C@@H](CBr)C2 2125792612 WQJQGWCVUYMLFJ-KMHCFJFGSA-N 451.984 4.601 50 10 JJGE CN(C(=O)c1cc(Br)ccc1I)C1(CCl)CCSCC1 2171185899 OCKHKYNIVOLBMW-UHFFFAOYSA-N 488.616 4.630 50 10 JJGE Cc1c(Br)ccc([C@H](Br)[C@H]2CCn3ncnc3C2)c1Br 2203708083 ZVEDOIDEJGXAMP-LKFCYVNXSA-N 463.999 4.810 50 10 JJGE Cc1cc(Br)c([C@@H](Cl)c2nn(C)nc2Br)cc1Br 2219806371 MDILLYCGOYXPOE-SECBINFHSA-N 458.379 4.739 50 10 JJGE CC(C)(C)[C@@H]1[C@H](Br)CCN1C(=O)c1ccc(Cl)c(I)c1 2283668752 MDUMZUURHDHAPM-MFKMUULPSA-N 470.576 4.969 50 10 JJGE CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@H]2CCCO2)cc1 2296539285 LIDOYWARVSDXAA-RUZDIDTESA-N 456.546 4.529 50 10 JJGE Cc1cc(C=C(C#N)C(=O)NCc2ccco2)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 2297551814 GJKONBOSFIRXRL-UHFFFAOYSA-N 473.533 4.809 50 10 JJGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1CC=C 2313568128 RRVMUBFJPWPCSN-UHFFFAOYSA-N 492.417 4.998 50 10 JJGE CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NNC(=O)c1ccccc1Br 2313681517 GZDIUGDPVXTWLS-UHFFFAOYSA-N 498.406 4.770 50 10 JJGE N#CC(=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)C(=O)NCCCn1ccnc1 2314476084 IKIOPDAPJMQUSE-UHFFFAOYSA-N 480.616 4.650 50 10 JJGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593555 OYPMZJJSODBEEB-XMMPIXPASA-N 471.582 4.893 50 10 JJGE COc1ccc(C=C(C#N)C(=O)N(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 2314777703 QMWJJKCODPSNDI-UHFFFAOYSA-N 482.945 4.686 50 10 JJGE FC(F)(CI)C(F)(F)CNc1ncc(Br)cc1Cl 2314942364 JGRAYUDUXRLFBS-UHFFFAOYSA-N 461.422 4.615 50 10 JJGE CC[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@@H]1CBr 2325234321 WKDOQYBJZXDAJS-NEPJUHHUSA-N 487.017 4.907 50 10 JJGE CCOc1cc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OCc1ccc(C)cc1 2328799904 PAIQKPMVQHGWRB-DEOSSOPVSA-N 483.609 4.972 50 10 JJGE O=C(N[C@H]1CCC[C@@H]1CCBr)c1ccc(Cl)cc1I 2340061496 OMXPMPRPZXPANJ-RNCFNFMXSA-N 456.549 4.628 50 10 JJGE CC(C)[C@@H](Br)C(C)(C)NC(=O)c1ccc(Cl)c(I)c1 2340406803 PTUFIXUBIKPVJT-GFCCVEGCSA-N 458.565 4.873 50 10 JJGE COc1cc(F)c([C@H](Br)c2c(Br)c(Br)nn2C)c(F)c1 2364227737 CZLJLBGWPJGFLI-VIFPVBQESA-N 474.925 4.716 50 10 JJGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])cc1 38655016 QAFCWUXDMIFYBB-XMMPIXPASA-N 471.469 4.821 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)c(OC)c1 38656803 DKPJEZVAAIUYIV-RUZDIDTESA-N 492.915 4.560 50 10 JJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C)cc3)nc3ccccn3c2=O)cc1 39858540 AGTITQRARCKYMT-SILNSSARSA-N 494.507 4.518 50 10 JJGE Cc1c(C(=O)Oc2cccnc2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40822082 LUCCCPRVXCZYGU-WPWMEQJKSA-N 488.327 4.745 50 10 JJGE CCOc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 40846832 YSRVZONGMGHITE-JFLMPSFJSA-N 468.937 4.855 50 10 JJGE COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)COc3cccc(Cl)c3Cl)c2)cc1 48572588 PBPQOLLKHRQDJY-LGJNPRDNSA-N 473.312 4.750 50 10 JJGE O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cc2ccccc2cc1O 59417800 HLZSSAFKSLOHLH-ZVBGSRNCSA-N 464.113 4.540 50 10 JJGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)NC)cc1 101240662 PSCXNKGBCGWQMI-ODXGNSPJSA-N 476.385 4.564 50 10 JJGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 101334687 XMQYUMUZXIIYHY-YDZHTSKRSA-N 494.551 4.559 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)OCc2ncc(-c3ccc(F)cc3)o2)c(-c2ccccc2)n1 746127002 ACEOATVGDYAPKU-MOSHPQCFSA-N 467.460 4.908 50 10 JJGE O=C(Cc1ccc([N+](=O)[O-])cc1)NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 1084314742 WQABHVRPBDFHJT-UHFFFAOYSA-N 483.311 4.511 50 10 JJGE Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(C(=O)N3CC=C(C#N)CC3)cc2)c1C 1446270795 ARQQJYXUKSDTTB-UHFFFAOYSA-N 451.592 4.698 50 10 JJGE CCOc1cc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)ccc1OC 1614689383 YVVZGXUOIHDBPW-OALUTQOASA-N 451.348 4.745 50 10 JJGE Cc1c(C(=O)Nc2ccccc2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772746371 DSOODNPEVJQJPG-UHFFFAOYSA-N 479.352 4.830 50 10 JJGE CC[C@@H](C)NC(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749816 PNXSGFFVQMHAHJ-GFCCVEGCSA-N 466.365 4.659 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(C(=O)O)cc1 1865709541 XWTDKFPSQYSLJS-MRXNPFEDSA-N 474.826 4.520 50 10 JJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865711381 WSYKKJREGWTCOG-QHCPKHFHSA-N 468.488 4.914 50 10 JJGE COc1ccc(C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)c(OC)c1 1872759446 OVEPIBPCHXSGPM-ZPHPHTNESA-N 468.531 4.888 50 10 JJGE COc1cc(/C=C(\C#N)c2nc(-c3cccs3)cs2)ccc1OCCN1CCOCC1 1872791512 JVKVJLFPSROHMA-QGOAFFKASA-N 453.589 4.655 50 10 JJGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)c1cc(Cl)cc(Cl)c1I 1887832631 HYTVTDTYEZKGTQ-OCAPTIKFSA-N 476.967 4.844 50 10 JJGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)s1 1915068699 BTYDFQGBWFARRR-ZDUSSCGKSA-N 467.248 4.875 50 10 JJGE Cc1cc2c(cn1)nc(CCl)n2-c1ccc(I)c(Br)c1 1917806052 QMOONDQZARDRTN-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H]2CC[C@@]2(CBr)C1 2078147525 OEEHKDMUESXJFB-JMCQJSRRSA-N 458.013 4.520 50 10 JJGE O=S(=O)(c1ccc(CCl)cc1Br)N(Cc1ccccc1)C[C@H]1CCCO1 2095878680 BTAVTFFADWXPSA-QGZVFWFLSA-N 458.805 4.558 50 10 JJGE CC(C)C[C@@H](CBr)CNC(=O)c1ccc(I)c(Cl)c1 2120742083 HHZAPYGNCZJWDT-JTQLQIEISA-N 458.565 4.732 50 10 JJGE Cc1c(Br)ccc([C@@H](Br)[C@H]2CCCS(=O)(=O)C2)c1Br 2138862971 KVOYCASMIUSLOF-ZANVPECISA-N 475.040 4.781 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2154105469 FHSFPBLHYPYBDT-MISXGVKJSA-N 468.560 4.865 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H](Br)C2(CCCC2)C1 2174366980 ZWSOTMLUUHXWGT-CYBMUJFWSA-N 466.011 4.991 50 10 JJGE CCc1ccc(S(=O)(=O)N(Cc2ccccc2)C[C@H]2CCCO2)cc1CBr 2179859648 HHGDYGWTCVLKOT-HXUWFJFHSA-N 452.414 4.514 50 10 JJGE BrC[C@@]12CCCC[C@@H]1CN(c1ncc(Br)cc1Br)C2 2230598901 CSYNNSLYPDWMDJ-QMTHXVAHSA-N 453.016 4.998 50 10 JJGE O=C(Nc1ccc(Br)cc1I)[C@H](Cl)c1ccccc1 2231622131 HWTQAMSNXDMFOG-CYBMUJFWSA-N 450.501 4.972 50 10 JJGE COc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1ccc(OCCN2CCCCC2)c(OC)c1 2295326978 VGVQULLAPYPRAT-UHFFFAOYSA-N 469.969 4.768 50 10 JJGE C[C@@H]1[C@H](Br)CCCN1Cc1ccc(I)c(Br)c1 2306222031 OXGNJEORZFGONO-MWLCHTKSSA-N 472.990 4.802 50 10 JJGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(OC(C)C)c2)sc2c1CCCC2 2314571489 FWGCBVIFFKOTDG-UHFFFAOYSA-N 454.548 4.755 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(OCC)c2)sc2c1CCCC2 2314571749 LINCCSHGZXSTBV-UHFFFAOYSA-N 454.548 4.757 50 10 JJGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)C=Cc2ccc(OCc3ccccc3Cl)cc2)C1 2328569308 OIUZLRWZWXGAET-NRFANRHFSA-N 490.991 4.709 50 10 JJGE COc1cccc(-c2csc(C(C#N)=C(O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)c1 2331248914 DIRYVSYXYLCSCO-UHFFFAOYSA-N 464.503 4.513 50 10 JJGE CCOc1ccc(-c2csc(C(C#N)=C(O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 2331305709 KWFNMCAUCAOSKS-UHFFFAOYSA-N 490.497 4.596 50 10 JJGE Clc1ccc(CN2C[C@H]3C[C@@H](Br)CC[C@H]3C2)cc1I 2337224017 UDWQGIPJTJDFLV-XQQFMLRXSA-N 454.577 4.940 50 10 JJGE C[C@@H](Br)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2I)C1 2340060489 CVIXERRHQINZFT-ZJUUUORDSA-N 456.549 4.580 50 10 JJGE CCc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccccc2[C@@H](C)CC)c(Br)c1 9873593 JXXVIFBHDFVSQP-HOTGVXAUSA-N 477.399 4.519 50 10 JJGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)[C@@H](C)Oc1c(C)cc(Br)cc1C 14642981 UCYNJTLUGFQSRB-WMLDXEAASA-N 477.399 4.573 50 10 JJGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(=O)OC)cc2)cc1 38683653 PGBNMKOXQQDHEI-WGDIFIGCSA-N 498.535 4.627 50 10 JJGE O=C(NNc1ncnc(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-])c1cccc(Cl)c1 40658639 XBKFZBPUFCSTCY-UHFFFAOYSA-N 488.213 4.606 50 10 JJGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812184 KUINKNQOTRTGRN-BJADGWIFSA-N 472.501 4.558 50 10 JJGE N#C/C(C(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)=C1\Nc2ccccc2S1 103908172 DBMUTSRPHBYENP-QNGOZBTKSA-N 460.515 4.786 50 10 JJGE C/C(NNC(=O)c1ccccc1Br)=C1\C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 103920648 IDGDTRXABKPHSK-RCCKNPSSSA-N 493.336 4.548 50 10 JJGE O=S(=O)(N[C@@H]1CCCC[C@@H]1Br)c1c(Cl)cc(Br)cc1Cl 136951881 SBVCDEYAHPAHEW-GZMMTYOYSA-N 466.022 4.740 50 10 JJGE CCCCN(CCBr)S(=O)(=O)c1cc(Br)c(C)cc1Br 155824514 IKLUKUQYAFJCDU-UHFFFAOYSA-N 492.071 4.706 50 10 JJGE CCC(CC)[C@@H](Br)CNC(=O)c1cc(Cl)ccc1I 230662833 IPKDSOYXPNHMMU-LBPRGKRZSA-N 458.565 4.874 50 10 JJGE COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)c1Cl 382696232 BAURDLOCJVQSBT-YPMHNXCESA-N 451.732 4.734 50 10 JJGE CN(C[C@@H]1CCC[C@@H]1Br)C(=O)c1cc(Br)ccc1Br 689220304 VVIAIUJPXKPHBM-CABZTGNLSA-N 454.000 4.847 50 10 JJGE CC[C@H](C[C@@H](C)Br)NC(=O)c1ccc(I)c(Br)c1 721605937 ULUODFWYSVNDGP-PSASIEDQSA-N 488.989 4.736 50 10 JJGE O=C(N[C@H](CCBr)C1CCCC1)c1ccc(F)cc1I 725036005 BPNFMWPWVSPHHP-CQSZACIVSA-N 454.121 4.504 50 10 JJGE C=CCC[C@@H](C(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1)c1ccccc1 1142617565 RARHKXRTTREQMF-SXOMAYOGSA-N 453.586 4.511 50 10 JJGE COc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772746013 NSTACZPTCZCUHN-UHFFFAOYSA-N 451.910 4.973 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)ccc1OCCc1ccccc1 1865688749 ZWQWGHVLRJGQKT-VWLOTQADSA-N 458.562 4.696 50 10 JJGE CCc1ccc(OCCCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)cc1 1865755683 LRTWHRDKZDKBLW-UHFFFAOYSA-N 451.954 4.893 50 10 JJGE CC(C)c1ccc([C@@H](CC(=O)N[C@@H](CO)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866741438 MPOBWGFAXRWUQA-GOTSBHOMSA-N 453.608 4.629 50 10 JJGE CC(C)CN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)cc2C1=O 1872752521 HIUXWIHYJPTXPG-PYCFMQQDSA-N 473.510 4.741 50 10 JJGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 1914635464 YAKMDQVPUVLVJF-GFCCVEGCSA-N 456.134 4.783 50 10 JJGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)CCCOCc1ccccc1 1915299616 GPWLGPOQNATFCH-QFIPXVFZSA-N 468.457 4.845 50 10 JJGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1COCCO1 1923068141 NMUBWIGREINJAT-XINAWCOVSA-N 455.393 4.778 50 10 JJGE Cc1cc(Br)c(C(=O)NC[C@H]2C[C@H]2Br)cc1NC(=O)OC(C)(C)C 2020182611 GGEMSMKLWNDVBU-ZYHUDNBSSA-N 462.182 4.618 50 10 JJGE O=C(CBr)c1c(OC(F)(F)F)ccc(I)c1C(F)(F)F 2055161837 AXFAAADHLMBYMJ-UHFFFAOYSA-N 476.936 4.786 50 10 JJGE BrCCCC1CCN(c2ncc(I)cc2Br)CC1 2069528239 HIXIBBGELSODJM-UHFFFAOYSA-N 488.005 4.840 50 10 JJGE O=[N+]([O-])c1c(CBr)nn(Cc2cccc(C(F)(F)F)c2F)c1C(F)(F)F 2079259608 ZFQAVRILBMWJGM-UHFFFAOYSA-N 450.108 4.911 50 10 JJGE Cc1nccc(COc2c(Br)cc(Br)cc2CBr)n1 2089439673 YYUQEYXTWJKNTC-UHFFFAOYSA-N 450.956 4.784 50 10 JJGE C[C@H](CCCCCI)NS(=O)(=O)c1cc(Cl)sc1Cl 2117894882 NNZDOCZATLVLMJ-MRVPVSSYSA-N 456.198 4.717 50 10 JJGE O=C(N[C@H]1CC[C@@H](CBr)CC1)c1ccc(I)c(Cl)c1 2118504856 CAUHFHGHKOQQNG-JGZJWPJOSA-N 456.549 4.628 50 10 JJGE O=S(=O)(NC1CC(CCBr)C1)c1c(Cl)cc(Br)cc1Cl 2146639516 VBCVVECFDCJLRW-UHFFFAOYSA-N 466.022 4.598 50 10 JJGE CCC(CC)(CNS(=O)(=O)c1ccc(CBr)cc1)N(C)Cc1ccccc1 2155100932 JJDHFXJKVYTHJM-UHFFFAOYSA-N 453.446 4.551 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2CCC[C@@]2(CBr)C1 2159411254 XPAPPGYHOWBELA-IAQYHMDHSA-N 466.011 4.849 50 10 JJGE COCCn1ncc(Br)c1C[C@H](Br)c1ccc(Br)cc1 2169799226 NHYBLYNGFYTHRJ-LBPRGKRZSA-N 466.999 4.733 50 10 JJGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)ccc1Cl 2179788000 WNAJZOWFRRMAKF-SFHVURJKSA-N 471.848 4.520 50 10 JJGE CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1c(CBr)sc2ccccc12 2179825355 GHSXVWPDDVRSNH-UHFFFAOYSA-N 467.454 4.549 50 10 JJGE C[C@H](c1cscc1Br)N(C)S(=O)(=O)c1csc(CBr)c1 2186576914 CTIBZIOWHVDLDY-MRVPVSSYSA-N 459.250 4.849 50 10 JJGE FC(F)[C@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(Br)cnc21 2193242686 HPOFXLCDPLOJEL-GOEBONIOSA-N 455.734 4.871 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1[C@@H](CBr)CCC12CCC2 2205771190 CVJKGUTVJZIPSK-LLVKDONJSA-N 468.560 4.867 50 10 JJGE CCN(C(=O)c1cc(I)ccc1Br)[C@H]1CCC[C@@H]1Cl 2224412927 YFJMVQCGRFXMJC-STQMWFEESA-N 456.549 4.676 50 10 JJGE Cc1cc(Br)c([C@H](Br)C2(C)CS(=O)(=O)C2)c(C)c1Br 2227371665 UCNMHXSTLQOFAX-LBPRGKRZSA-N 475.040 4.699 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC1[C@H]2CC[C@H]1CC(NC(=O)OC(C)(C)C)C2 2249319270 BWUUUKBBCWJGIZ-VYMRPNJYSA-N 475.721 4.564 50 10 JJGE CC[C@H](C)[C@@H](CBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277933602 WKBKYJPFMHWZRH-TVQRCGJNSA-N 456.016 4.680 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)cc2C=C(C#N)C(=O)NCc2ccccc2)cc1OC 2297489978 KEQNHGWDDUJIOC-UHFFFAOYSA-N 478.552 4.839 50 10 JJGE CCN(CC(C)(C)CI)[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2306808892 DQNSJNQDPIPOCO-HOTGVXAUSA-N 452.421 4.853 50 10 JJGE N#CC(=Cc1cn(CCCOc2ccccc2Cl)c2ccccc12)C(=O)NC[C@H]1CCCO1 2313623750 CRWBQDNKMFELMG-OAQYLSRUSA-N 463.965 4.966 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cccc(C)c1C 2314760644 TUQDUPCAANHBQP-UHFFFAOYSA-N 474.513 4.503 50 10 JJGE Cn1cc(I)c(C[C@H](CBr)c2cccc(Br)c2)n1 2319160272 WRKISDIXJDMDKS-SNVBAGLBSA-N 483.973 4.508 50 10 JJGE Cc1c(C=NNC(=O)c2ccc(Nc3nc(O)c4ccccc4n3)cc2)c2ccccc2n1C 2323766757 SENQUOKYOBEFIC-UHFFFAOYSA-N 450.502 4.643 50 10 JJGE Brc1cc(CN2C[C@@H]3CC[C@H](C2)C3Br)ccc1I 2325228356 CKEBHSFMGQVLPQ-BVUQATHDSA-N 485.001 4.659 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 14025570 OYNRLRVCKCLFPT-UHFFFAOYSA-N 468.406 4.902 50 10 JJGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1cccc2ccccc12 14768766 GDLBUYMQZKCIBU-VWLOTQADSA-N 454.526 4.891 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCC)c(Br)c2)cc1 14770481 SLSAIRBBAXMLIV-UHFFFAOYSA-N 463.372 4.882 50 10 JJGE Cc1nn(C(C)C)c(C)c1/C=N/NC(=O)CCCSc1nc2ccc([N+](=O)[O-])cc2s1 20805202 SLOYPDYSXPKHEK-SRZZPIQSSA-N 460.585 4.621 50 10 JJGE O=C(NN/C=C1/C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21)c1ccc(Cl)cc1 38186798 CVHSAIGYRFHTAA-QGOAFFKASA-N 485.849 4.821 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@@H]1c1ccc(F)cc1 38652721 PXXTXVKEFSZZSS-QHCPKHFHSA-N 450.853 4.682 50 10 JJGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1Cl 38688188 LOHWPDHZBKFWSK-JOCHJYFZSA-N 477.860 4.694 50 10 JJGE Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)c1 39992964 XZJOGVOCFLMOIL-NBVRZTHBSA-N 454.461 4.788 50 10 JJGE Cc1ccc2cccc(Oc3ncnc(NNC(=O)c4ccccc4Br)c3[N+](=O)[O-])c2n1 40618658 ZLCZYBXYZSTFHZ-UHFFFAOYSA-N 495.293 4.553 50 10 JJGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812150 LIWVNWRUCBROJI-ZXVVBBHZSA-N 480.908 4.550 50 10 JJGE COC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCCC(C)C)c(OC)c2)c(OC)c1 207166480 QMWKQQADZLGYOQ-GBJATQMGSA-N 479.529 4.827 50 10 JJGE CC(=NNC(=O)CCCOc1ccc(Cl)cc1C)c1cccc(NC(=O)C(F)(F)F)c1 252602209 FGKLNCFMDCBLIU-UHFFFAOYSA-N 455.864 4.849 50 10 JJGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2ccc(F)cc2)c1 254515658 IJVHEFRVDVZQNL-UHFFFAOYSA-N 469.472 4.595 50 10 JJGE CC(=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)c1ccco1 254699944 TTXMZVDGDLSVDC-UHFFFAOYSA-N 492.626 4.860 50 10 JJGE O=C(N[C@H]1CCC[C@H](CBr)C1)c1cc(Br)cc(Br)c1 311456755 DSMJIMVOJMRTCU-ZANVPECISA-N 454.000 4.895 50 10 JJGE CN(C)c1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1 382705471 FHCIVHAMLOMDSF-ICSRJNTNSA-N 464.347 4.540 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CCCC[C@H](CCl)C1 696797440 UFKAYBRCEORKFC-SNVBAGLBSA-N 456.549 4.535 50 10 JJGE Cc1nnc(COc2c(Br)cc(Br)cc2CBr)s1 698589903 WICJGJLECSPSKJ-UHFFFAOYSA-N 456.985 4.845 50 10 JJGE C[C@]1(CBr)CCCCN1C(=O)c1ccc(Br)cc1Br 723011949 KMAHCVAYBLRZMO-CQSZACIVSA-N 454.000 4.991 50 10 JJGE CCc1cc(C)cc(OCC(=O)NN=Cc2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c1 1084334394 YZLXHGMXOFZBBA-UHFFFAOYSA-N 467.953 4.846 50 10 JJGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(Cl)cc2-c2ccccc2)cc1 1476424044 ZAFMEBSORYZOIV-MRXNPFEDSA-N 451.910 4.830 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1865699930 GWMCUZDDZMPJOM-JOCHJYFZSA-N 469.932 4.874 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc(Cl)c1O 1865707100 NNYUXHGJARANIC-IBGZPJMESA-N 475.307 4.618 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865707571 ZWCNTMFDMUVSNP-OAQYLSRUSA-N 471.344 4.782 50 10 JJGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1OC(C)=O 1872752764 QZAGZAXHLBGHCP-QNXORYQPSA-N 462.483 4.979 50 10 JJGE CCn1cc(Br)c(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)n1 2010561782 ISUZQCVSYHTYFB-UHFFFAOYSA-N 455.194 4.626 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H](Br)C2(CCC2)C1 2046395300 WJPSQKQXDOUMJG-VIFPVBQESA-N 458.013 4.663 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNc1ccc(C#N)c(Br)c1F 2061267844 JZHNROMGENCJQB-UHFFFAOYSA-N 450.399 4.778 50 10 JJGE C[C@H](Br)C12CCC(CC1)N2c1ncc(I)cc1Br 2069533439 HUHJISWHNQBZHI-LUHBLDKBSA-N 485.989 4.734 50 10 JJGE C[C@@H]1CC[C@](CBr)(NC(=O)c2csc(Br)c2Br)C1 2074206269 UADDPPIBRSVGDP-KRTXAFLBSA-N 460.029 4.957 50 10 JJGE CC(C)C[C@@H](Br)CNC(=O)c1ccc(Br)cc1I 2086147437 NDFXIUPWYUNCOG-SNVBAGLBSA-N 488.989 4.593 50 10 JJGE COc1c(C)cc(Br)cc1[C@H](Br)c1cc(Br)n(C)n1 2141637830 YUPZTRXWXRQIPS-LBPRGKRZSA-N 452.972 4.746 50 10 JJGE CC1(C)CCN(C(=O)c2ccc(I)c(Br)c2)C[C@@H]1CCl 2148657518 CMUSIQVMPRFTBM-NSHDSACASA-N 470.576 4.781 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1CN(CC2(CBr)CCCC2)CC[C@@H]1C(F)(F)F 2163059772 WHQSIMKAYRDWSP-GJZGRUSLSA-N 457.375 4.967 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CCC([C@H](F)CBr)CC1 2163243552 BZINKHBLQCAUQU-GFCCVEGCSA-N 471.990 4.797 50 10 JJGE O=S(=O)(N[C@H]1C[C@H](CCBr)C1)c1c(Cl)cc(Br)cc1Cl 2199060240 VBCVVECFDCJLRW-XWEPSHTISA-N 466.022 4.598 50 10 JJGE BrC[C@H](Cc1ncc(I)cn1)c1cccc(Br)c1 2328054364 QNCWHGJCPGGCKU-JTQLQIEISA-N 481.957 4.565 50 10 JJGE N#C/C(=C/c1ccccc1OCc1ccccc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 1925094 FAHOGDQHRGGFGV-RGEXLXHISA-N 457.555 4.850 50 10 JJGE C[C@@H]1CCc2c(sc3nc(/C(C#N)=C/c4ccc(N5CCCC5)c([N+](=O)[O-])c4)[nH]c(=O)c23)C1 9540485 IVRZDMCANFBSSD-DSQDWWTGSA-N 461.547 4.682 50 10 JJGE O=C(CCc1ncc(-c2ccc(F)cc2)o1)NNC(=O)c1cc(-c2ccco2)nc2ccccc12 10123533 ZGIUJRLXXHNZRP-UHFFFAOYSA-N 470.460 4.683 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)c(OC)c1 38657099 DYZYDUJTQGHIDE-HHHXNRCGSA-N 486.524 4.523 50 10 JJGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)c1 38684925 NUPDHFCKCVWONM-PUAOIOHZSA-N 474.488 4.815 50 10 JJGE CC(C)C[C@@H](Br)CNC(=O)c1cc(Br)ccc1I 232583662 BGBLASXZJPYLPN-SNVBAGLBSA-N 488.989 4.593 50 10 JJGE CN(C(=O)c1ccc(Br)cc1Br)[C@@H]1CCCC[C@H]1Br 234334927 JZEMKCJZZPEWFU-DGCLKSJQSA-N 454.000 4.990 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C)cc3)n2-c2ccccc2)cc1OC 254578637 WKQRDLNHEOMQNJ-UHFFFAOYSA-N 487.585 4.502 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2cccc(Br)c2)C1 382681433 CVNNEYXDGKIBKN-JSGCOSHPSA-N 466.157 4.835 50 10 JJGE COc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1F 382686941 JSDGPXBYXPWBHH-DLBZAZTESA-N 469.294 4.622 50 10 JJGE BrCC(CBr)(Cc1csnn1)c1cccc(Br)c1 385110095 PKXXGQXXRKVFIV-UHFFFAOYSA-N 455.013 4.571 50 10 JJGE COc1cc(C)c(Br)cc1[C@@H](Br)c1nn(C)cc1Br 693122451 NXOIOVUJLNOZPB-GFCCVEGCSA-N 452.972 4.746 50 10 JJGE Cc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3ccc(Br)cc3)c2C)cc1C 725402650 PNGVEIGFUWMSMV-UHFFFAOYSA-N 467.367 4.562 50 10 JJGE Cc1ccc(OCC(=O)NN=C2C(=O)N(C/C=C/c3ccccc3)c3ccccc32)cc1Cl 1083993166 ZSUVXIZSVQDLAU-JGCQQWARSA-N 459.933 4.608 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)CSCc3ccccc3Cl)cc2)cc1 1084111488 UACCYKAWTBBPDJ-UHFFFAOYSA-N 489.018 4.800 50 10 JJGE C#CCC1(O)CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)CC1 1303026818 RPIXHCGRUBHBCR-UYRXBGFRSA-N 456.373 4.685 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865709883 JIMFHIAWTGBLSK-QFIPXVFZSA-N 465.469 4.674 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cccc(OC)c1)C(C#N)=C(N)O2 1865712025 NYPGJRKQRBZQBX-HXUWFJFHSA-N 465.351 4.814 50 10 JJGE COc1ccc(-c2ccc(C(=O)NNC(=O)COc3ccc(C)cc3C(C)(C)C)c(C)n2)cc1 1865757195 QUZPHYBGICPGBQ-UHFFFAOYSA-N 461.562 4.512 50 10 JJGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCc3ccccc3OC)CC2)n1 1868277686 DWGZRRCPZBFPOJ-UHFFFAOYSA-N 474.634 4.729 50 10 JJGE CC1(C)[C@H](Br)CCCN1C(=O)c1cc(Br)ccc1Br 1887817099 XKOHFNMWAIDVCN-GFCCVEGCSA-N 454.000 4.990 50 10 JJGE CC1(C)C[C@H](N(Cc2ccccc2)S(=O)(=O)c2cc(CCl)oc2Br)CO1 1915476080 HPFNGBDCQCFDGP-AWEZNQCLSA-N 462.793 4.539 50 10 JJGE CC1(C)C[C@H](N(Cc2ccccc2)S(=O)(=O)c2cc(CCl)ccc2Br)CO1 1915481239 NNKRJPHDWNXOHA-KRWDZBQOSA-N 472.832 4.946 50 10 JJGE CC(C)CCN(CCBr)S(=O)(=O)c1cc(Cl)c(Br)s1 1924514522 HMEUKGFHJCRYPG-UHFFFAOYSA-N 453.649 4.596 50 10 JJGE C[C@]12CN(C(=O)c3csc(Br)c3Br)C[C@@]1(CBr)C2 2046801755 JGOOQCFHKFCDRU-RYUDHWBXSA-N 458.013 4.520 50 10 JJGE CC[C@@H](C)[C@H](CBr)NC(=O)c1ccc(I)c(Br)c1 2081253448 KUKMEJHUHBNFQY-PELKAZGASA-N 488.989 4.593 50 10 JJGE BrCc1cc(Br)cc(Br)c1OCOC[C@H]1CCCO1 2092617903 XAUXRAAZUYRCBW-LLVKDONJSA-N 458.972 4.638 50 10 JJGE CCn1cc(S(=O)(=O)N(Cc2ccccc2)Cc2cccs2)cc1CBr 2123200237 FIGFQBGCZQUSFL-UHFFFAOYSA-N 453.427 4.856 50 10 JJGE COCc1cc(Br)c([C@H](Br)c2c(C)nn(C)c2Br)s1 2129267857 NQXBKECQCVCBOW-SNVBAGLBSA-N 473.028 4.946 50 10 JJGE C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2I)[C@@H]1CCl 2142289438 QHIDCDJWOZKUSP-NOZJJQNGSA-N 456.549 4.533 50 10 JJGE CN(C(=O)c1ccc(I)c(Br)c1)[C@@H](CCCl)C(F)(F)F 2178520743 MRBAUTRBQJBMNH-JTQLQIEISA-N 484.481 4.686 50 10 JJGE Cc1c([C@H](Br)c2cc3c(cc2Br)OCC3)c(Br)nn1C 2188150464 NTSUYIJZPMJIRE-CYBMUJFWSA-N 464.983 4.673 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@@H](C(F)(F)CBr)C1 2197761581 CYGUUEZSEIJVFT-MRVPVSSYSA-N 475.953 4.704 50 10 JJGE Cc1cc(Br)c(CN(C)S(=O)(=O)c2csc(CBr)c2)s1 2237711371 GAMZFGFVSSBDBG-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CCCC[C@@H](CBr)C1 2268342479 GJMPKRYAYNFYOL-JTQLQIEISA-N 456.549 4.582 50 10 JJGE CCN(C[C@@](C)(CI)OCc1cc(OC)cc(OC)c1)C(=O)OC(C)(C)C 2283531611 OVCXZUCAVRAWOM-HXUWFJFHSA-N 493.382 4.671 50 10 JJGE Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)NN=Cc1ccc(-c2ccc(Br)cc2)o1 2297708360 ZGQUKTBOIXBYCD-UHFFFAOYSA-N 472.295 4.763 50 10 JJGE O=C(c1csc(Br)c1Br)N1[C@H]2CC[C@@H]1[C@H](CBr)C2 2308531233 NRHKHOGVYVHRTG-ACLDMZEESA-N 458.013 4.661 50 10 JJGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1 2314785075 AVLJTFZOJOEQEG-UHFFFAOYSA-N 498.579 4.666 50 10 JJGE CCN(C=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 2324605380 UYVXIHIHICKSPZ-UHFFFAOYSA-N 464.613 4.850 50 10 JJGE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3ccc(C)cc3)sc2c1 2329635265 PAJVPWBYMZOLLY-UHFFFAOYSA-N 478.599 4.513 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1F 2331337109 YJZDLXMJNPUBFW-UHFFFAOYSA-N 463.490 4.827 50 10 JJGE COc1ccc(F)cc1[C@H](Br)c1c(Br)c(Br)nn1C 2338861587 RTCFUZZNHMKRRD-VIFPVBQESA-N 456.935 4.577 50 10 JJGE FC1(F)CCN(Cc2ccc(Cl)cc2I)CC[C@H]1Br 2341032806 PLGWFFSIXCVSFM-GFCCVEGCSA-N 464.519 4.939 50 10 JJGE CN([C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12)S(=O)(=O)c1csc(CBr)c1 2357090935 DXUXZLLBIPPWIF-FVCZOJIISA-N 470.454 4.647 50 10 JJGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14649912 ZTQKANIIYYPQPE-INIZCTEOSA-N 491.426 4.865 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OC)cc1 38650023 KMPWERLEJJRVSX-RUZDIDTESA-N 456.498 4.921 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1OC 38658610 ONAKDMBMFICDHK-HSZRJFAPSA-N 462.889 4.795 50 10 JJGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCCCCCC)cc2)cc1 100154553 PVWBHVWNMLVDJI-UHFFFAOYSA-N 469.607 4.550 50 10 JJGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(CC)cc1 101241464 FKCQUBXGQIPYPQ-SSXUBFHHSA-N 451.979 4.631 50 10 JJGE COc1ccc(CCNC(=O)/C(C#N)=C\Nc2ccc(Cl)cc2C(F)(F)F)cc1OC 216789891 AOVUKUSSQBKUDV-OWBHPGMISA-N 453.848 4.554 50 10 JJGE O=C(NN=Cc1c(F)c(F)c(F)c(F)c1F)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 252612422 ISTWHBZMXAJELM-UHFFFAOYSA-N 499.321 4.875 50 10 JJGE Cc1ccc(OCC(=O)NN=Cc2cccc(OC(=O)c3cccc(Br)c3)c2)cc1C 254840352 IVSWJCGICMRSOI-UHFFFAOYSA-N 481.346 4.814 50 10 JJGE C[C@H]1CC[C@H](CBr)CN1C(=O)c1cc(Br)cc(Br)c1 688706986 VDIHQJFPANWFPQ-VHSXEESVSA-N 454.000 4.847 50 10 JJGE CCC(CC)[C@@H](Cl)CNC(=O)c1ccc(I)c(Br)c1 721615627 CSYWQEVWTVZDML-LBPRGKRZSA-N 458.565 4.827 50 10 JJGE O=C(NC[C@@H]1CCCC[C@@H]1Cl)c1ccc(I)c(Br)c1 721623835 VJBPOOFTJAIQSO-JQWIXIFHSA-N 456.549 4.581 50 10 JJGE CC(=O)N1CC[C@H](NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3)c2C)c2ccccc21 1356404784 YCVKHZCQGNZPKA-VFHYMGCCSA-N 452.558 4.924 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccc(Cl)cc2[N+](=O)[O-])C1 1614630622 SERHMXGJZHOSPF-MFKMUULPSA-N 466.703 4.634 50 10 JJGE O=C(COc1ccc(Br)cc1Br)NN=Cc1cccc(Br)c1 1772754368 ZRNZELREJHANHQ-UHFFFAOYSA-N 490.977 4.503 50 10 JJGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC)cc1OC 1865692254 KPELHNFSMQWMRM-IBGZPJMESA-N 475.387 4.770 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865704544 YIMMWCOAYXIXSH-HSZRJFAPSA-N 496.498 4.662 50 10 JJGE CC[C@@](C)(NC(=O)C[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866734065 ACONQKGGAUKBOE-QFQXNSOFSA-N 479.602 4.838 50 10 JJGE COc1cc(/C=C(\C#N)c2nc(O)c3ccccc3n2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1872726734 DCYAYTVJFVKVDN-GZTJUZNOSA-N 468.425 4.536 50 10 JJGE CC(C)[C@@H](CCl)N(Cc1ccccc1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1915281015 OSJMNTBJSYAKJM-HSZRJFAPSA-N 491.053 4.548 50 10 JJGE C[C@H]1C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)[C@H](C)CN1C(=O)OC(C)(C)C 1985349791 GGINCOOANDOPSH-IXDOHACOSA-N 463.710 4.516 50 10 JJGE C[C@@H]1C[C@@H](Br)CCN(C(=O)c2cc(Br)c(Br)s2)C1 2041566439 KJBQHEDMMOQADQ-SFYZADRCSA-N 460.029 4.909 50 10 JJGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCCS(=O)(=O)C2)cc1Br 2089861861 VPAUIGUYUXCNEB-NOZJJQNGSA-N 475.040 4.781 50 10 JJGE O=C(NCC1(CBr)CCCC1)c1cccc(Br)c1Br 2092339611 GLYPATVKHHAQIR-UHFFFAOYSA-N 454.000 4.897 50 10 JJGE O=C(c1csc(I)c1)N1CC2(CCC2)CC[C@H]1CBr 2095704975 WTRXNWZURXCOLV-NSHDSACASA-N 454.171 4.523 50 10 JJGE O=S(=O)(c1ccc(CCBr)cc1)N(CCC(F)(F)F)Cc1ccccc1 2123199416 RXVJNQSYJNLGDE-UHFFFAOYSA-N 450.320 4.767 50 10 JJGE CC(C)(C)OC(=O)NCC1(NC(=O)[C@H](Cl)c2ccccc2)CCN(Cc2ccccc2)CC1 2130843333 NKVHMZQOXBVQGR-JOCHJYFZSA-N 472.029 4.642 50 10 JJGE CC(C)(C)[C@H]1C[C@@H](CBr)CN(C(=O)c2sccc2I)C1 2165001430 LCGKULILUDNCGJ-QWRGUYRKSA-N 470.214 4.872 50 10 JJGE O=S(=O)(c1cc(Br)cc(CCl)c1F)N1CCC[C@@H](OCc2ccccc2)C1 2186388856 JDJVATJQDIYMPV-QGZVFWFLSA-N 476.795 4.697 50 10 JJGE Cc1ccc(C(=O)N2CCC[C@@H](CCCBr)C2)cc1I 2234191038 IYOZDATUAQPKOI-CYBMUJFWSA-N 450.158 4.627 50 10 JJGE Cc1ccc(I)c(C(=O)N[C@@H](CCBr)C2CCCC2)c1 2240901560 QNNJQKWKEYRHGZ-HNNXBMFYSA-N 450.158 4.673 50 10 JJGE O=C(c1cccc(I)c1)N1CCC(CCCCBr)CC1 2283124531 SPBIVHIAQHTVQF-UHFFFAOYSA-N 450.158 4.709 50 10 JJGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)NC)cc1 2314593390 MFPYMNCPFMAFOI-LJQANCHMSA-N 476.385 4.564 50 10 JJGE Clc1ccc(I)cc1CN1C[C@@H]2CCC[C@H](C1)C2Br 2352410541 NZAXQULDDZUKSS-YWXMQNBFSA-N 454.577 4.940 50 10 JJGE CCN(C[C@](C)(CI)OCc1cc(F)c(OC)c(F)c1)C(=O)OC(C)(C)C 2363443789 BNPZBZAGOTUMBK-IBGZPJMESA-N 499.336 4.941 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)cc1 10506136 YGDIEXJGYCYMDU-UHFFFAOYSA-N 468.406 4.902 50 10 JJGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccccc1Cl 12483020 MLLYGNXWTCRLOP-DNTJNYDQSA-N 460.553 4.703 50 10 JJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1 38700880 ZKWXNUQKUXRMRA-XMMPIXPASA-N 480.476 4.965 50 10 JJGE COc1cc(/C=N/NC(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(C(=O)O)cc1 59598649 QNGDCXSMMMFXBF-DHRITJCHSA-N 453.882 4.781 50 10 JJGE COc1cc(C[C@H](Br)c2cc(Br)c(Br)s2)ncn1 138952297 BUKLRAQSEIRISO-ZETCQYMHSA-N 456.985 4.750 50 10 JJGE COc1ccc(Br)cc1C=NNC(=O)COc1c(Cl)cc(Cl)cc1Cl 252603941 FVDFWUOKKMAXMD-UHFFFAOYSA-N 466.546 4.947 50 10 JJGE CC(=NNC(=O)/C(=C/C=C\c1ccccc1)NC(=O)c1ccccc1)c1cc([N+](=O)[O-])cs1 252621821 NHNCEWLUEJYHLQ-QRERJZPSSA-N 460.515 4.524 50 10 JJGE CC(=NNC(=O)COc1c(Br)cc(C)cc1Br)c1ccc(C)cc1 252630013 USMBMVMJQQVKDN-UHFFFAOYSA-N 454.162 4.748 50 10 JJGE COc1cc(C)c(Br)cc1[C@@H](Br)c1c(Br)cnn1C 693070915 OHJHJZWBHGAJMR-GFCCVEGCSA-N 452.972 4.746 50 10 JJGE Cc1cc(Br)c([C@H](Br)[C@H]2CCCS2(=O)=O)cc1Br 694615068 MNULOTHPLLQZIA-NEPJUHHUSA-N 461.013 4.533 50 10 JJGE O=C(N[C@@H](CBr)CC(F)(F)F)c1cc(Br)ccc1Br 717757967 DNKCUWYCCDEDIM-SSDOTTSWSA-N 467.905 4.657 50 10 JJGE CN(Cc1ccccc1[N+](=O)[O-])C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 914728612 CXPACYQTVMMYMR-UYRXBGFRSA-N 474.908 4.591 50 10 JJGE Cc1cccc(Cl)c1OCc1ccc(C=NNC(=O)c2ccc(N3CCCC3=O)cc2)o1 1083903965 JCLAWHJWAVXAFE-UHFFFAOYSA-N 451.910 4.711 50 10 JJGE CC(=NNC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccc(N)cc1 1084153997 FRGHHHVTZBRWIB-UHFFFAOYSA-N 491.183 4.866 50 10 JJGE N#CCCn1cc(/C=C/C(=O)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)c2ccccc21 1086839855 UQVCYOYUABAYRK-OUKQBFOZSA-N 475.508 4.838 50 10 JJGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)N4c5ccccc5C[C@@H]4C)c(C)c32)cc1 1772746363 VAMHSLYOLXHZGO-INIZCTEOSA-N 457.530 4.658 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)cc1OCC 1865688832 CEYUBSCLJPCRGH-HSZRJFAPSA-N 462.525 4.648 50 10 JJGE COc1ccccc1-c1ccc(C(=O)NNC(=O)[C@H](Cc2ccccc2)c2ccccc2)c(C)n1 1865760403 WCWJECLIGZIZCJ-RUZDIDTESA-N 465.553 4.853 50 10 JJGE Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 1865845860 WJUGHQZTKJHLQL-UHFFFAOYSA-N 457.555 4.696 50 10 JJGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2F)cc1 1873794803 BKBMBVXHLXKWBD-AKLYFZKISA-N 491.563 4.991 50 10 JJGE CC(C)NCc1cc(Br)c(OC[C@@H]2C[C@@H]2Br)c(Br)c1 1887832950 LTELIPOSJUSEML-QWRGUYRKSA-N 456.016 4.872 50 10 JJGE Clc1ccc(CNCCCCCI)cc1I 1900400897 XDZVQPUSPPOKOP-UHFFFAOYSA-N 463.528 4.640 50 10 JJGE O=S(=O)(c1cscc1Br)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915175893 DTVPACHZQCMEEF-HNNXBMFYSA-N 479.259 4.875 50 10 JJGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C[C@H](CBr)C(C)(C)C)C1 1959571719 VKZBTBGEZYGSEX-IBGZPJMESA-N 469.464 4.528 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CN(Cc2ccccc2)C2(CCC2)C1 1985347629 WCXFTTPHZGMLKH-FQEVSTJZSA-N 451.702 4.679 50 10 JJGE C[C@]12CN(C(=O)c3csc(Br)c3Br)C[C@]1(CBr)C2 2046801754 JGOOQCFHKFCDRU-NWDGAFQWSA-N 458.013 4.520 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H]2C[C@@H](Br)C[C@H]2C1 2065397433 OROJHECBROUWFH-RNLVFQAGSA-N 458.013 4.519 50 10 JJGE CC1(C)CN(C(=O)c2cccc(Br)c2Br)CC[C@@H]1Br 2092339938 KKOKWEJGRYJILP-NSHDSACASA-N 454.000 4.847 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NCC2(CBr)CCCC2)C1(C)C 2106789344 XSLSSTNLHIUIGU-HAWMADMCSA-N 451.471 4.733 50 10 JJGE CC(C)C[C@H](CCl)CNC(=O)c1ccc(Br)cc1I 2142277677 SQNFANRBTLHSTK-SNVBAGLBSA-N 458.565 4.685 50 10 JJGE O=C(NC[C@]12CCC[C@]1(CBr)C2)c1csc(Br)c1Br 2142941209 UNDYRQGJVIIXDL-CHWSQXEVSA-N 472.040 4.958 50 10 JJGE C[C@]1(CCBr)CCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2205510851 KJISIPDGVAZEAW-LBPRGKRZSA-N 466.022 4.694 50 10 JJGE C[C@]1(CBr)C=CCCN1C(=O)c1cc(I)ccc1Br 2264382575 CSGHRNJUWPSNDZ-CQSZACIVSA-N 498.984 4.609 50 10 JJGE C[C@@H](Br)C1CCN(C(=O)c2ccc(Cl)c(I)c2)CC1 2268351701 XLRZVHCFDBXWQK-SECBINFHSA-N 456.549 4.580 50 10 JJGE C[C@@H](Br)CN(CCC(C)(C)C)C(=O)c1cccc(I)c1 2288049956 UUVIWQMNVDNPRE-GFCCVEGCSA-N 452.174 4.953 50 10 JJGE O=S1(=O)CCCC[C@H]1[C@H](Cl)c1c(F)cc(Br)c(F)c1Br 2288353096 JVMWIWKRSOIJGU-KWQFWETISA-N 452.542 4.737 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)cc2C=C(C#N)C(=O)Nc2nccs2)cc1OC 2295650082 UQVSHJIOOFAIAM-UHFFFAOYSA-N 471.542 4.618 50 10 JJGE CCN(C[C@@](C)(CI)OC[C@@H]1C[C@@H]2CC[C@H]1C2)C(=O)OC(C)(C)C 2298751531 NFEVNHYTUYNMFZ-PASDCYSWSA-N 451.389 4.890 50 10 JJGE C[C@H]1[C@@H](Br)CCCN1Cc1ccc(I)c(Br)c1 2306222032 OXGNJEORZFGONO-ONGXEEELSA-N 472.990 4.802 50 10 JJGE BrCCN(Cc1ccc(I)c(Br)c1)CC1CC1 2306223200 BXJBSZWBBCNQBN-UHFFFAOYSA-N 472.990 4.661 50 10 JJGE C=CCOc1cc(Br)c(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 2313568804 YURTWCNDCFYMER-UHFFFAOYSA-N 496.405 4.668 50 10 JJGE COc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Br)cc1 2313568841 XSVAJRRNCFEDMC-UHFFFAOYSA-N 494.183 4.794 50 10 JJGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593076 HGKPLHCEMMOALE-QFIPXVFZSA-N 493.972 4.684 50 10 JJGE COc1ccc(C=NNC(=O)CSc2nc(O)c3c(-c4ccccc4)c(C)sc3n2)cc1OC 2320486374 DREPACSFIYFOOK-UHFFFAOYSA-N 494.598 4.632 50 10 JJGE CCOC(=O)c1cnn(-c2cc(C)c3cccc(OC)c3n2)c1NC(C=O)=Cc1ccccc1C 2329807573 OIPYRLWGXONCEE-UHFFFAOYSA-N 470.529 4.875 50 10 JJGE Cc1cc(I)c(OCC2(CBr)CCOCC2)cc1Cl 2336554005 OSEKVFDLIBGTIP-UHFFFAOYSA-N 459.549 4.824 50 10 JJGE CCC[C@@H](Br)c1cn(Cc2ccc(Cl)c(I)c2)nn1 2337191649 BQJSWTAKRSJMJV-SNVBAGLBSA-N 454.537 4.821 50 10 JJGE F[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(Cl)c(I)c1 2337217990 DBATYFKBUKQWMD-MHWZDGSBSA-N 458.540 4.783 50 10 JJGE COc1ccnc(Oc2cc(Br)cc(I)c2)c1CCl 2338756479 ZOPPDANOSLUKLL-UHFFFAOYSA-N 454.489 4.988 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)c1cc(Cl)sc1Cl 2378000967 GMMPGFUNCCVMDK-INIZCTEOSA-N 475.485 4.850 50 10 JJGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)ccc1Cl 38653964 CEJGUGGFFWBABN-XMMPIXPASA-N 491.887 4.759 50 10 JJGE COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3cccc(C(F)(F)F)c3)c2C)c(C)c1 59136528 IDSWQWFZRJTZLX-IPPBACCNSA-N 471.479 4.901 50 10 JJGE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1 59857968 NJFALSHHJNHTAT-RVDMUPIBSA-N 466.295 4.706 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OS(=O)(=O)c1ccccc1 83293390 OSMYCQUPMFERTB-HKWRFOASSA-N 462.527 4.707 50 10 JJGE C/C(CC(=O)Nc1cc(Cl)cc(Cl)c1)=N/NC(=O)C(=O)Nc1cccc2ccccc12 100986413 LOZDEKPXOQOCEI-WKIKZPBSSA-N 457.317 4.606 50 10 JJGE Cc1nn(C)c(C[C@H](CBr)c2cccc(Br)c2)c1Br 118661408 AQLQDWHMGJLZGX-LLVKDONJSA-N 451.000 4.975 50 10 JJGE Cc1cc(Br)c([C@H](Br)C(C)(C)S(C)(=O)=O)cc1Br 128771979 MWTWBBXYTFDMBR-NSHDSACASA-N 463.029 4.779 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C)cc1C 206736233 LXVFKKLEAIRVAO-BKUYFWCQSA-N 474.513 4.503 50 10 JJGE CC(CC(=O)Nc1ccc(Cl)c(Cl)c1)=NNC(=O)COc1ccc(C)cc1Br 252603238 FOZKUDZKAPIMOF-UHFFFAOYSA-N 487.181 4.964 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3sccc3C)n2-c2ccc(C)cc2)cc1 254625498 ZHWJPWXFKKSTCL-UHFFFAOYSA-N 477.615 4.864 50 10 JJGE Cn1cncc1CCCOc1c(Br)cc(CBr)cc1Br 314107384 CGUQITLUMGVSHC-UHFFFAOYSA-N 466.999 4.852 50 10 JJGE BrCc1cc(Br)ccc1N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 404132923 ALYMPBKOAFIBBH-RTWAWAEBSA-N 480.244 4.824 50 10 JJGE FC(F)(F)Oc1cc(Br)cc(CBr)c1I 575694645 LFNSHLRORUMKFV-UHFFFAOYSA-N 459.825 4.847 50 10 JJGE C[C@H]1[C@@H](Cl)C[C@H]2CC[C@H]1N2C(=O)c1ccc(I)c(Br)c1 721596118 ZVUBOALWLPGVTK-LGYCOIBBSA-N 468.560 4.674 50 10 JJGE O=C(C[C@H](c1ccccc1)C(F)(F)F)NNC(=O)c1ccccc1OCc1ccc(F)cc1 728456702 VKHUIHBKPQSBSR-HXUWFJFHSA-N 460.427 4.902 50 10 JJGE O=C(NN=C(CSc1nc2ccccc2[nH]1)c1ccc(Br)cc1)c1ccccc1O 1084634041 OTLSDGHWYSHXFQ-UHFFFAOYSA-N 481.375 4.957 50 10 JJGE CC(=C/c1ccc(/C=C(C)/C=N/NC(=O)c2ccc(C)nc2)cc1)/C=N/NC(=O)c1ccc(C)nc1 1088690902 IFCKWMJCZDDKAU-SZZNJTLPSA-N 480.572 4.732 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc1C 1772747901 VXGRBJIZLXCJCN-UHFFFAOYSA-N 474.517 4.765 50 10 JJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CCC)cc1OCC 1865690897 DQBARTVJSNSRJO-QGZVFWFLSA-N 450.461 4.718 50 10 JJGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707382 VPHGWMLWMNYZIN-NRFANRHFSA-N 464.953 4.696 50 10 JJGE CC[C@@](C)(NC(=O)c1c(C)cc(C)n(-c2ccccc2)c1=O)C(=O)Nc1ccc(SC#N)cc1 1867217014 VFEIXJDQFAEGJJ-AREMUKBSSA-N 474.586 4.565 50 10 JJGE CC1(C)[C@H](Cl)CCCN1C(=O)c1cc(Br)ccc1I 1887606115 AQTBOVKSHFBHFW-GFCCVEGCSA-N 456.549 4.676 50 10 JJGE CC1(C)CC[C@H](Br)[C@H](CNC(=O)c2cccc(I)c2)C1 1927048426 FFEDWQVPSKKVEZ-JSGCOSHPSA-N 450.158 4.611 50 10 JJGE O=S(=O)([C@H]1C[C@H](OCc2ccccc2)C1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1958928336 MWGGVLSYDBQJNO-VABKMULXSA-N 478.452 4.740 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2065406611 PVWQAKYKMUNZDP-JIGDXULJSA-N 458.013 4.519 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2CC[C@]2(CBr)C1 2078147735 PIRWKKATKQMLSR-KRTXAFLBSA-N 458.013 4.520 50 10 JJGE CC[C@@H](C[C@@H](C)Br)NC(=O)c1ccc(Br)cc1I 2086154053 QDPRNEICOCIYKS-SCZZXKLOSA-N 488.989 4.736 50 10 JJGE ClC[C@]12CCC[C@@H]1N(c1ncc(I)cc1Br)CCC2 2133375320 QBCIVXFGIROXNK-GXTWGEPZSA-N 455.565 4.827 50 10 JJGE CN(C(=O)c1ccc(Br)cc1I)[C@H]1CCCC[C@H]1Cl 2142285642 RZAFYICNUPWCLB-YPMHNXCESA-N 456.549 4.676 50 10 JJGE CN(Cc1ccccc1)[C@]1(Cn2c(CCl)nc3cc(I)ccc32)CCOC1 2155112414 AITGYTVBZAVCGY-NRFANRHFSA-N 495.792 4.671 50 10 JJGE COCCOc1ccc([C@@H](Cl)c2cc(I)sn2)cc1Br 2176540960 XDSOKHXUXUNNNW-CYBMUJFWSA-N 488.572 4.864 50 10 JJGE CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2179831628 ZHLXAVFKXKLWHU-MRXNPFEDSA-N 492.266 4.783 50 10 JJGE CCC[C@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@@H]1CCl 2205694709 BNBYBVVFCADCQW-QWRGUYRKSA-N 470.576 4.781 50 10 JJGE O=C(c1cc(I)ccc1F)N1CCCC[C@H]1CCCBr 2206655058 FCENZPZNSGPOCN-LBPRGKRZSA-N 454.121 4.600 50 10 JJGE CS(=O)(=O)C1([C@H](Br)c2cc(Br)c(Br)cc2F)CCC1 2225619107 FAGZPNYUYKQCML-LLVKDONJSA-N 479.003 4.754 50 10 JJGE COc1ccc([C@H](Br)C(F)(F)C2CCOCC2)cc1I 2284995759 DHCYPYAGKQMAAW-ZDUSSCGKSA-N 461.084 4.798 50 10 JJGE C=CC[C@]1(CBr)CCCN1C(=O)c1ccc(Cl)c(I)c1 2287744673 ICVDOAJTIFXJMG-OAHLLOKOSA-N 468.560 4.890 50 10 JJGE CCOC(=O)C(C#N)=C1S[C@H](Cc2ccc(C)cc2)C(=O)N1c1ccc(Br)cc1 2293039188 MXHPJVXRYATMGA-LJQANCHMSA-N 471.376 4.747 50 10 JJGE COC(=O)c1ccccc1NC(=O)C(C#N)=Cc1ccc(OC(=O)c2ccc(C)cc2)c(OC)c1 2295459642 ISYQQJUSAMUEAF-UHFFFAOYSA-N 470.481 4.555 50 10 JJGE CCCOc1cccc(C=NNC(=O)c2cccn(Cc3ccc(Cl)c(Cl)c3)c2=O)c1 2318417965 LMEIALOERXZBNE-UHFFFAOYSA-N 458.345 4.756 50 10 JJGE COc1cc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc(OC)c1OC 9986074 PJRXNOJEHOMHKX-KRWDZBQOSA-N 473.316 4.627 50 10 JJGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN=C1CCCc2ccccc21 15980709 HOZKBRSZMNBMNE-UHFFFAOYSA-N 453.571 4.883 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 38655087 KMQNWFXDFZFMGW-NRFANRHFSA-N 492.831 4.594 50 10 JJGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(=O)OC)cc2)c1 38683608 MJVYGEFJTPNGFO-VWLOTQADSA-N 484.508 4.699 50 10 JJGE Cc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)c1 39858709 RFVJDIJJYHSLDA-JXAWBTAJSA-N 454.461 4.788 50 10 JJGE COc1cc(C(=O)N/N=C/c2ccc(Sc3cccc4cccnc34)o2)cc(OC)c1OC 59392274 GSUVIPDKQQMMBU-VULFUBBASA-N 463.515 4.769 50 10 JJGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1=O 101334133 PGIXODGYYNGARQ-QIWJOQEQSA-N 481.512 4.838 50 10 JJGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(C(C)C)c(C)c2)c(OC)c1 207141901 SCVKNUUWNYIQFW-STZFKDTASA-N 464.562 4.935 50 10 JJGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)C1=O 214260840 CATTZHPFHBXEKX-PGECNJAHSA-N 481.512 4.838 50 10 JJGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\NCc1ccc(Br)cc1 217241218 XBLYIBLFQXBUQM-ICFOKQHNSA-N 456.340 4.542 50 10 JJGE CCN(C[C@@](C)(CI)OCc1cccc(OC)c1)C(=O)OC(C)(C)C 310598762 ZAPCEEFSJSDMAS-LJQANCHMSA-N 463.356 4.663 50 10 JJGE O=c1[nH]c2cc(Br)c([C@@H](Cl)c3sccc3I)cc2[nH]1 311823114 CVQGPKHMALFISB-SNVBAGLBSA-N 469.529 4.613 50 10 JJGE O=S(=O)(Nc1cc(Br)ccc1I)c1ccccc1CCl 383451074 AQVLNMWEFLYITD-UHFFFAOYSA-N 486.556 4.593 50 10 JJGE CCN(C(=O)c1cc(Br)ccc1I)C(C)(C)CBr 688361522 UBQNVMUJLAWCNQ-UHFFFAOYSA-N 488.989 4.689 50 10 JJGE CC1(C)C[C@H](Br)C[C@@H](NC(=O)c2ccc(F)cc2I)C1 693899981 XUPZHWSJNOOCTM-MWLCHTKSSA-N 454.121 4.502 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CCl)[C@H](c2ccc(Br)cc2[N+](=O)[O-])C1 725398449 LGIRXMYIEBPCNJ-RHSMWYFYSA-N 453.720 4.948 50 10 JJGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1ccc(Br)cc1 1084039355 MRDILOSWQBXNCP-UHFFFAOYSA-N 479.381 4.990 50 10 JJGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NCc5cccnc5)c(C)c43)coc2c1 1772752122 UULQPFOYBZFVOB-UHFFFAOYSA-N 484.556 4.675 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccccc1F)C(C#N)=C(N)O2 1865681481 OIPKREVSGLURRX-LJQANCHMSA-N 453.315 4.945 50 10 JJGE CCC[C@@H](NC(=O)Cc1csc(COc2ccccc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866583946 LNPNNEZYOXIBGP-OAQYLSRUSA-N 480.615 4.761 50 10 JJGE CC[C@@](C)(NC(=O)Cc1csc(COc2ccccc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866590750 HKNWPNNPMCGAKW-XMMPIXPASA-N 480.615 4.761 50 10 JJGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccccc4OC)cs3)CC2=O)cc1 1872747044 LKQJWKWULGTHRJ-BJUXRVGASA-N 489.553 4.841 50 10 JJGE Fc1cc(Br)c2nc(CCl)n(C[C@H]3CN(Cc4ccccc4)CCO3)c2c1 1912671334 YTNXBPDBSGBGMY-MRXNPFEDSA-N 452.755 4.578 50 10 JJGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 1915767248 QAALZMMAJANHQK-UHFFFAOYSA-N 461.219 4.814 50 10 JJGE COc1ccc(CN(C)C[C@@H](Br)COCc2ccccc2)cc1Br 1916366684 LWKNDKLCSKYKQS-QGZVFWFLSA-N 457.206 4.870 50 10 JJGE CN(C[C@H]1C[C@H]1Br)C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2020201030 OMHPPGYMQYQWID-QMTHXVAHSA-N 462.182 4.652 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2C[C@H]1CC[C@H]2Br 2028276712 HHVUGTGLDAGGAG-BWZBUEFSSA-N 458.013 4.661 50 10 JJGE C[C@@H]1C[C@H](CCl)CCN1C(=O)c1cc(Br)ccc1I 2115836896 PACSOURSCWTFRM-NXEZZACHSA-N 456.549 4.533 50 10 JJGE C[C@@H]1C[C@@H](CCl)CCN1C(=O)c1cc(I)ccc1Br 2115838047 WMFYNROUKZGKBS-ZJUUUORDSA-N 456.549 4.533 50 10 JJGE O=C(N[C@@H](CBr)c1cscn1)c1cc(Br)cc(Br)c1 2119039627 OXQDCURCZAQNRT-JTQLQIEISA-N 468.996 4.534 50 10 JJGE CC(C)N(CCOCCBr)Cc1ccc(I)c(Cl)c1 2142942521 DRUSVYYZSZLRGM-UHFFFAOYSA-N 460.581 4.567 50 10 JJGE Cc1cccc(C(=O)N[C@@]2(CBr)CCCC2(C)C)c1I 2150546648 UPYWKCVDNIIPEQ-MRXNPFEDSA-N 450.158 4.673 50 10 JJGE Cc1cc(C(=O)NC[C@H]2CCC[C@@H](CBr)C2)ccc1I 2207106497 MHAUBRIMTWGZEM-OLZOCXBDSA-N 450.158 4.531 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CCC(OCCCBr)CC1 2207531794 NQYQFKHORZEPSG-UHFFFAOYSA-N 490.055 4.679 50 10 JJGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)Cc1ccccc1Br 2213760516 HDIALCVRPJSVPR-UHFFFAOYSA-N 475.246 4.955 50 10 JJGE Cc1cc(Br)c([C@H](Br)[C@H]2CCCS2(=O)=O)c(C)c1Br 2227360666 VFAKRMBQPWQISC-ZWNOBZJWSA-N 475.040 4.842 50 10 JJGE CN(C[C@H]1C[C@H]1Br)C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2241637312 LDXNFMNXKIUUJT-QVKFZJNVSA-N 471.395 4.546 50 10 JJGE O=C(NCc1cccc(CBr)c1)c1ccc(Cl)c(I)c1 2283651503 IBHFJKDRGLCUIF-UHFFFAOYSA-N 464.528 4.770 50 10 JJGE N#CC(=Cc1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)Nc1ccc(Br)cc1 2293215323 QRKKDXROISCENU-UHFFFAOYSA-N 470.106 4.765 50 10 JJGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@@H]2CCCO2)ccc1OC(C)C 2296703482 VYONFKARWQLCLM-VWLOTQADSA-N 470.573 4.837 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OC(=O)c1ccccc1 2297399768 ULELUFGGEZXKIO-UHFFFAOYSA-N 456.454 4.548 50 10 JJGE Cc1cc(C)c(OCC(=O)NN=C2C(=O)N(CC=Cc3ccccc3)c3ccccc32)c(C)c1 2313643903 NTHBXXPHFLSGNK-UHFFFAOYSA-N 453.542 4.571 50 10 JJGE Cc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccccc2C)nc2c(C)cccn2c1=O 2314532178 GVXPCBFWBSWQSV-UHFFFAOYSA-N 450.498 4.958 50 10 JJGE CC1(C)CC(CBr)(CN=[S@]2(=O)CC[C@@]3(CCCN3C(=O)OC(C)(C)C)C2)C1 2371132324 ZJYLSTMQNPOPAB-DCFHFQCYSA-N 463.482 4.829 50 10 JJGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)c1OCc1ccc(Cl)cc1 1471922 NXHMOYCFPUSOGO-OAQYLSRUSA-N 463.921 4.533 50 10 JJGE O=C(COc1ccccc1-c1ccccc1)N/N=C/c1cccc(OC(=O)c2ccc3c(c2)OCO3)c1 2056783 KSDJBBYDIUQBSO-OCSSWDANSA-N 494.503 4.831 50 10 JJGE O=C(NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1OCc1ccccc1 2690746 KKZMVPWWHVQECW-UHFFFAOYSA-N 495.604 4.733 50 10 JJGE Cc1cccc(Cl)c1OCc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3=O)cc2)o1 9695073 JCLAWHJWAVXAFE-VULFUBBASA-N 451.910 4.711 50 10 JJGE CC(C)Oc1ccc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1Br 14658910 XMFXLRRIOBRNNU-UHFFFAOYSA-N 483.362 4.743 50 10 JJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 14665808 GQGYTMSPTDSQAK-IBGZPJMESA-N 473.573 4.773 50 10 JJGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 38653874 ZCFIFWQGOQESHY-XMMPIXPASA-N 469.453 4.597 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1OC 38658577 OEHKUBCVVUCUQT-MHZLTWQESA-N 486.524 4.523 50 10 JJGE COc1ccc([C@@H](Br)c2cccc(I)c2)c(OC)c1OC 40289981 ZHDAGDRMSSNHBO-AWEZNQCLSA-N 463.109 4.801 50 10 JJGE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/C=N/NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 59146702 AHSTVZRCZZEIFG-ZFVWIKOCSA-N 476.320 4.622 50 10 JJGE C[C@H]1CCC[C@](CBr)(NS(=O)(=O)c2ccc(Br)cc2Cl)C1 136586214 VNCDEWQJPZPBLD-HZMBPMFUSA-N 459.631 4.725 50 10 JJGE Cc1ccc(COc2ccccc2/C=N/NC(=O)c2cc(-c3ccc(F)cc3)nc(O)n2)cc1 169923948 KFNZMBNHXSPMGH-RWPZCVJISA-N 456.477 4.640 50 10 JJGE O=C(NCCCCCI)c1ccc(Br)cc1C(F)(F)F 229524622 IOEXRCWITBZXSX-UHFFFAOYSA-N 464.063 4.803 50 10 JJGE CCC(CC)[C@@H](Br)CNS(=O)(=O)c1cc(Br)ccc1Br 230664035 LQTZGYWUTMUFFQ-LBPRGKRZSA-N 492.071 4.690 50 10 JJGE CCCOc1ccccc1C=NNC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 252624576 PRBMWWYOCVGUGL-HQKXCCFGSA-N 453.542 4.953 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(OCCCc2ccccc2)CC1 305729435 TZBHKHVZLBFBNT-UHFFFAOYSA-N 459.368 4.841 50 10 JJGE O=S(=O)(NC[C@@H]1CCC[C@H](CBr)C1)c1cc(Cl)c(Br)s1 312730192 VXRVWYJWBNDXFG-DTWKUNHWSA-N 465.660 4.644 50 10 JJGE C[C@H]1C[C@H](CBr)CN(C(=O)c2ccc(Br)cc2Br)C1 398839844 UBODUASEWOFBAB-VHSXEESVSA-N 454.000 4.705 50 10 JJGE Fc1ccc2nc(CCl)n(C[C@@H]3CN(Cc4ccccc4)CCO3)c2c1Br 689796093 UZGKHCPRYDTMHX-HNNXBMFYSA-N 452.755 4.578 50 10 JJGE CC1(C)C[C@H](Cl)C[C@@H](NC(=O)c2cc(Br)ccc2I)C1 693874750 HGKNFBOGGQTFJB-GHMZBOCLSA-N 470.576 4.970 50 10 JJGE CC(=O)N(c1ccc(NC(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1)[C@H]1C[C@H]1C 1677827429 KZHNYKWEXNYTQS-PXAZEXFGSA-N 456.955 4.783 50 10 JJGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772744703 HSWPNHFAYKADFY-UHFFFAOYSA-N 460.515 4.626 50 10 JJGE O=C(Nc1ncccc1OCC(=O)c1ccc(Br)cc1)Oc1ccc([N+](=O)[O-])cc1 1858695354 OLKUYWDGGSJERV-UHFFFAOYSA-N 472.251 4.625 50 10 JJGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865683267 BSVQAYJYTCFCTM-OAQYLSRUSA-N 455.905 4.814 50 10 JJGE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704908 HRQVTYYMEDVVGX-HSZRJFAPSA-N 472.545 4.547 50 10 JJGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)c1ccc(F)c(F)c1F 1865759568 HFRFGTPNSUPIDJ-UHFFFAOYSA-N 454.235 4.856 50 10 JJGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1C 1865759697 NJQLEQUMSRQBDJ-UHFFFAOYSA-N 459.289 4.655 50 10 JJGE CCN(C[C@@](C)(CI)OCc1ccc(F)cc1)C(=O)OC(C)(C)C 2024643907 OERGXGCUXOASGA-GOSISDBHSA-N 451.320 4.793 50 10 JJGE CC1(C)CCCN(c2ncc(I)cc2Br)[C@H]1CBr 2069533066 YNGVFQDEKBSLDY-NSHDSACASA-N 488.005 4.839 50 10 JJGE O=C1Cc2cc([C@@H](Br)c3sncc3Br)c(Br)cc2N1 2088926713 AVWDXYWXYWNWDE-LLVKDONJSA-N 466.980 4.647 50 10 JJGE O=C(c1scc(Br)c1Br)N1CC[C@@H](CBr)C(F)(F)C1 2090187211 DCZSRNAOFWBOQB-LURJTMIESA-N 481.982 4.765 50 10 JJGE Brc1cccc(CN2CCC3(CC2)C[C@@H](Br)CO3)c1Br 2173134534 XHLRKLFUVIKNNF-GFCCVEGCSA-N 468.027 4.730 50 10 JJGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2CCC[C@]2(CCl)C1 2207269530 SWIWKGLVCZVKQN-BONVTDFDSA-N 468.560 4.535 50 10 JJGE CC1(C)CN(C(=O)c2cc(I)ccc2Br)C[C@@H]1CCCl 2238455989 FQDVOFCYMBLJHM-JTQLQIEISA-N 470.576 4.781 50 10 JJGE BrC[C@]12CCCO[C@@H]1CN(Cc1cc(Br)ccc1Br)C2 2238837860 ZELUIYAHUGXJII-CABCVRRESA-N 468.027 4.588 50 10 JJGE CC1(C)CC(CBr)(NC(=O)c2ccc(Cl)c(I)c2)C1 2268351202 KSXANLUVXGJKFM-UHFFFAOYSA-N 456.549 4.628 50 10 JJGE O=C(N[C@@H]1CCCCC[C@@H]1Br)c1ccc(Cl)c(I)c1 2268351931 XUCLXHKFFUJPKX-GXFFZTMASA-N 456.549 4.771 50 10 JJGE COc1cc(C)c([C@H](Br)c2cc(I)sn2)c(OC)c1 2271515085 YQCYGVVRRFFFBJ-CYBMUJFWSA-N 454.127 4.558 50 10 JJGE O=S1(=O)CCC[C@@H]([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)C1 2288481604 XMPYRKFSDGTXSW-KSBSHMNSSA-N 452.542 4.595 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)NCC1CCC(Br)CC1 2295315684 OVTAGWNDDKMORF-UHFFFAOYSA-N 468.027 4.824 50 10 JJGE COc1ccc(C=C(C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)c(OC)c1 2297624331 QKODYCMQJXSWMS-UHFFFAOYSA-N 461.455 4.906 50 10 JJGE N=[S@@](=O)(CC1CC(Br)C1)c1cc(I)ccc1Br 2300843195 ZXAFOULYMHDFIB-ITPQWSDUSA-N 493.002 4.633 50 10 JJGE C[C@H](Br)CCCN(C)c1ncc(C(F)(F)F)cc1I 2336158505 GTAHETFMBDTEOJ-QMMMGPOBSA-N 451.068 4.705 50 10 JJGE CCn1c(SCC(=O)NN=Cc2ccc(OC)c(OCc3ccccc3)c2)nc2ccccc21 1742884 CWHLQKYMEQDVPV-UHFFFAOYSA-N 474.586 4.886 50 10 JJGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)N/N=C\c1ccc(Cl)cc1Cl 31829187 WLFDINYMVFUANT-MWYAZZEHSA-N 457.342 4.582 50 10 JJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1 38650652 XXNLSUZROVKVJL-MHZLTWQESA-N 486.524 4.687 50 10 JJGE O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cc(F)c(F)cc1Cl 59148252 SJXYGHDXHFVYAI-DENHBWNVSA-N 468.479 4.613 50 10 JJGE COc1ccc(OC)c([C@@H](C(=O)NC2CCC(C)CC2)N(CCc2ccccc2)C(=O)CCl)c1 97914770 RGAUYQIWGYKBLB-WGJJQBRPSA-N 487.040 4.750 50 10 JJGE O=C(OCc1ccccc1)[C@@H](Br)CC[C@H](Br)C(=O)OCc1ccccc1 136754445 GFAVESHHJVRFEP-ROUUACIJSA-N 484.184 4.780 50 10 JJGE O=C(NN=C1C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21)c1ccc(F)cc1 254571504 AUKUTMINUDEGCC-UHFFFAOYSA-N 492.554 4.966 50 10 JJGE COc1ccc2cc(C(=O)NN=Cc3c(O)c([N+](=O)[O-])cc4oc5c(c34)CCCC5)ccc2c1 254582699 DIPNNMPFLKSPKX-UHFFFAOYSA-N 459.458 4.851 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2C[C@@H]3CCCC[C@H]3O2)CC1 380827241 RJVCFFIAPZDCMU-YESZJQIVSA-N 479.399 4.555 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CCl)[C@H](c2cccc(I)c2)C1 394788873 QKFYMWSIJGSCLS-AEFFLSMTSA-N 455.723 4.882 50 10 JJGE O=C(CBr)c1c(Br)ccc(OC(F)(F)F)c1I 575693871 CHCNOJZHXPCAPE-UHFFFAOYSA-N 487.835 4.530 50 10 JJGE N#CSc1ccc(NC(=O)Nc2cccc(C(=O)N3CCN(Cc4ccccc4)CC3)c2)cc1 586718466 UQCVGYVBHYAKPP-UHFFFAOYSA-N 471.586 4.862 50 10 JJGE Cc1c(C(=O)NNC(=O)c2c[nH]c3cc(Br)c(Br)cc23)oc2ccccc12 1086964344 QWWBRRQKSJVCMN-UHFFFAOYSA-N 491.139 4.822 50 10 JJGE C=C(Cl)CSc1nc(C)c(CC(=O)NNc2ccc(OCC(F)(F)F)cc2)s1 1623413019 DLIZRXMCHUABRA-UHFFFAOYSA-N 451.923 4.923 50 10 JJGE Cc1c(C(=O)NCc2ccco2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772746820 AIQHOWUTDNFCHV-UHFFFAOYSA-N 460.317 4.888 50 10 JJGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772751244 YQEWDEWFOKYCJR-UHFFFAOYSA-N 470.451 4.834 50 10 JJGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)n2)cc1 1860568804 ULBDGWHNGFZDGF-UHFFFAOYSA-N 467.348 4.851 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682187 IHZZUMVOESPUKA-VWLOTQADSA-N 494.551 4.848 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705931 JOVAQKAOEWKPHV-MRXNPFEDSA-N 493.804 4.869 50 10 JJGE Cc1ccc(COc2ccc(/C=N/NC(=O)COc3ccc4c(C)cc(=O)oc4c3)cc2)cc1 1873793496 FVVUGNXKVVDYFA-RWPZCVJISA-N 456.498 4.518 50 10 JJGE O=C(NCC[C@@H]1CCC[C@H]1Br)c1cc(Cl)ccc1I 1913720886 JBJVDVXECJGHDH-JOYOIKCWSA-N 456.549 4.628 50 10 JJGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(F)cc1F 2057403355 BOGVMFBCSRURGV-CYBMUJFWSA-N 452.748 4.983 50 10 JJGE COc1cc(F)ccc1Cn1nc(CBr)c(I)c1C(F)(F)F 2079250867 KWZRQNDAWPDIBG-UHFFFAOYSA-N 493.036 4.597 50 10 JJGE C[C@@H]1CCN(C(=O)c2c(Br)cccc2Br)C[C@@H]1CBr 2094094504 CMEOAQSHBZXJJJ-ZJUUUORDSA-N 454.000 4.705 50 10 JJGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1cc(CCl)sc1Br 2095879403 MOPHRRAVLHZPKY-UHFFFAOYSA-N 479.893 4.782 50 10 JJGE CN([C@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CCl)cc1Br 2100207658 OBUNKFJKRYLDAD-ZWKOTPCHSA-N 458.805 4.556 50 10 JJGE O=C(c1cc(Br)ccc1I)N1C[C@H]2[C@H](Cl)CCC[C@H]2C1 2150974110 UTIMAHGVLUTJCR-ZWKOPEQDSA-N 468.560 4.533 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CC[C@H](Cl)CC12CCC2 2169887375 LJMXPBZLCMYIHC-JTQLQIEISA-N 468.560 4.820 50 10 JJGE Cn1cc([C@@H](Br)c2cc(Br)c3c(c2)CCCO3)c(Br)n1 2173183932 SIJLWJHBBORCPS-LBPRGKRZSA-N 464.983 4.754 50 10 JJGE O=S(=O)(c1ccc(Cl)c(CBr)c1)N(Cc1ccccc1)CC1CCOCC1 2179786901 HNXMNSYGJZXXEB-UHFFFAOYSA-N 472.832 4.852 50 10 JJGE O=S(=O)(c1c(CBr)sc2ccccc12)N1CC[C@H](OCc2ccccc2)C1 2179826046 OHZZBQZSFFYKMK-INIZCTEOSA-N 466.422 4.776 50 10 JJGE O=S(=O)(c1cc(F)c(Cl)c(CBr)c1)N(Cc1ccccc1)C[C@H]1CCCO1 2179861051 BEQNHYXRYODGGW-MRXNPFEDSA-N 476.795 4.744 50 10 JJGE Cc1ccc(I)c(C(=O)N2CCC(CCCBr)CC2)c1 2240915446 RFYGUGNYJLUREP-UHFFFAOYSA-N 450.158 4.627 50 10 JJGE O=C(c1sccc1I)N1CCC2(CC[C@H](Br)C2)CC1 2272327853 VCRCYLRZFHTEDL-JTQLQIEISA-N 454.171 4.523 50 10 JJGE C[C@H]1CC[C@@H](CBr)N(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295309054 DVZPHBUBUSXTCF-HZMBPMFUSA-N 468.027 4.776 50 10 JJGE COc1ccc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1Br 2297551450 KWQZUFAQNMYMMC-UHFFFAOYSA-N 470.201 4.930 50 10 JJGE Cc1nc(Br)c(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)n1C 2300221297 AMWUFNFSTYZAAO-HNNXBMFYSA-N 457.210 4.553 50 10 JJGE C[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@H]1CBr 2306222631 WUYIRNCJNTVDDW-MWLCHTKSSA-N 472.990 4.517 50 10 JJGE C[C@@H]1C[C@@H](CBr)CN1Cc1ccc(I)c(Br)c1 2306228531 SCPWYGJGUNNJCS-KOLCDFICSA-N 472.990 4.659 50 10 JJGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)C(C#N)=Cc2ccc(Cl)cc2)c(OCC)c1 2314735775 CHPOIWRLIPWLHB-UHFFFAOYSA-N 450.878 4.721 50 10 JJGE COc1cc(OC)c(OC)cc1C=C(C#N)c1nc(-c2ccc(OC)c(OC)c2OC)cs1 2331492825 SVBFZLVYNNJIIS-UHFFFAOYSA-N 468.531 4.926 50 10 JJGE COC[C@@H](C)OC[C@@H](Br)CCc1ccc(Cl)c(I)c1 2337219451 SPBHEUZJDKWZQP-PWSUYJOCSA-N 461.565 4.692 50 10 JJGE COc1ncc(Br)c(C)c1CN[C@H](C)CCCCCI 2368300382 AJFWPUHIERSTPT-LLVKDONJSA-N 455.178 4.635 50 10 JJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(OCCc3ccccc3)c2)cc1 10331367 ODLDTBMEFOUNMX-UHFFFAOYSA-N 493.563 4.944 50 10 JJGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc21 38681907 LDEDGIMDPSKCOE-DEOSSOPVSA-N 471.469 4.821 50 10 JJGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 101337352 IIKKUWDEYYVYBL-XWRADEMYSA-N 462.933 4.690 50 10 JJGE CCC[C@H](CCBr)CNC(=O)c1cc(Cl)ccc1I 227499421 FYNPIULVXYCMCI-SNVBAGLBSA-N 458.565 4.876 50 10 JJGE Cc1nc2ccccn2c1C(=O)NN=Cc1nn(-c2ccccc2)cc1-c1ccc(Cl)cc1 252594877 BWMALRBQBOBQTL-UHFFFAOYSA-N 454.921 4.913 50 10 JJGE CCOC(=O)COc1c(Cl)cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)cc1OC 254378133 CVAJCKGWXRLNPS-UHFFFAOYSA-N 480.904 4.954 50 10 JJGE Cc1ccc(NCC(=O)NN=Cc2cc([N+](=O)[O-])ccc2N(CC(C)C)CC(C)C)cc1C 254850505 AYZCVIPGTYXMAP-UHFFFAOYSA-N 453.587 4.892 50 10 JJGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)ccc1O 254875422 UUAPSXVQAPIBRQ-UHFFFAOYSA-N 479.606 4.715 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2C[C@H]3CCCC[C@H]3O2)C1 379132313 PNLXKYSSCHIBIT-AXVVYFOYSA-N 479.399 4.555 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2cccc(Br)c2O)C1 394619191 LKWOSVYSBVBWTC-CMPLNLGQSA-N 482.156 4.540 50 10 JJGE C[C@H](Br)[C@@H]1CCCN(C(=O)c2cc(Br)c(Br)s2)C1 688976228 FOODMBYHIGMHQD-JGVFFNPUSA-N 460.029 4.909 50 10 JJGE O=C(c1scc(Br)c1Br)N1CCC[C@@H](CBr)CC1 705426873 PBZCWRWZYMHKLH-MRVPVSSYSA-N 460.029 4.910 50 10 JJGE C[C@@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1cc(CBr)sc1[N+](=O)[O-])C2 705961905 ISUMXEQVARIQRK-BGYRXZFFSA-N 450.402 4.900 50 10 JJGE O=C(NCc1ccc(CCl)cc1)c1ccc(I)c(Br)c1 721571333 GDOCPQTWJUURMG-UHFFFAOYSA-N 464.528 4.723 50 10 JJGE Cc1cc(C)c(OCC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)c(C)c1 1083910137 BACWFVTUKJLUFQ-UHFFFAOYSA-N 461.949 4.711 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Cl)cc1 1083937382 FOANGRXBTRGLFA-UHFFFAOYSA-N 462.859 4.855 50 10 JJGE COc1ccc(CC(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)cc1OC 1084062804 HTELLTXOLHUULN-UHFFFAOYSA-N 468.937 4.638 50 10 JJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21 1084277752 KYKWDPDCPIHYJM-OAHLLOKOSA-N 468.340 4.828 50 10 JJGE C=CCNC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1 1358124207 WFCRZWSGOUWONR-JWGURIENSA-N 454.530 4.564 50 10 JJGE CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1 1865683087 FSIAIJBUFAJSSR-QGZVFWFLSA-N 459.859 4.829 50 10 JJGE CCOc1cc(C(=O)NNC(=O)CCCSc2ccc(C)cc2)cc(OCC)c1OCC 1865755727 NNWIKNVWDRHSRH-UHFFFAOYSA-N 460.596 4.525 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1OC 1872745394 LDJGQVVBXUTBRY-QJOMJCCJSA-N 494.529 4.522 50 10 JJGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C 1885096266 HYMFFCOSKGIZTR-FZKCQIBNSA-N 461.441 4.946 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2010827563 SQFIFZXBUQQTDZ-OKZBNKHCSA-N 475.721 4.518 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CC[C@H](Br)CC12CC2 2050646474 MVEJWZCHOTVATR-ZETCQYMHSA-N 458.013 4.805 50 10 JJGE O=C(c1cccc(Br)c1Br)N(CCBr)CC(F)(F)F 2092340988 WWHTXLBKVHVJIY-UHFFFAOYSA-N 467.905 4.611 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CCC2(CC1)C[C@@H]2CBr 2148910585 RTUAKJRBIHYHRN-SNVBAGLBSA-N 466.011 4.849 50 10 JJGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2CCC[C@H](C1)C2Cl 2167779918 LLNMMRHWSSZWIQ-XFLKPENQSA-N 468.560 4.533 50 10 JJGE C[C@@]1(CNC(=O)c2cc(Br)ccc2I)CCC[C@@H]1Cl 2271298034 CDHFPPLHAAFXNX-JSGCOSHPSA-N 456.549 4.581 50 10 JJGE C[C@]1(CNC(=O)c2cc(Br)cc(Br)c2)CCC[C@H]1Br 2271303974 ZHSCASVRVWMDPV-TZMCWYRMSA-N 454.000 4.895 50 10 JJGE CCOc1ccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc1I 2293276376 ZKYRWKYFKFIXAW-UHFFFAOYSA-N 452.679 4.889 50 10 JJGE C[C@@H]1CC[C@@H](CBr)CN1C(=O)Cc1cc(Br)cc(Br)c1 2295313173 GFTWXPWRXBOTQE-MNOVXSKESA-N 468.027 4.776 50 10 JJGE N#CC(=Cc1c(Oc2ccccc2F)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1 2296718556 WCCFSIRPISUOKB-UHFFFAOYSA-N 481.892 4.618 50 10 JJGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C(C#N)=Cc1cc(OC)ccc1O 2296833331 XSJALWSGPMVZMC-UHFFFAOYSA-N 478.526 4.860 50 10 JJGE CCCN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)CC(C)(C)CI 2306819500 VFTVNHXPBFXEQK-MRXNPFEDSA-N 452.421 4.949 50 10 JJGE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N(Cc4ccccc4)C(=O)C(C#N)=C3C)o2)cc1 2314611439 UDWVEBYKEVGZJA-UHFFFAOYSA-N 466.493 4.916 50 10 JJGE COc1cc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccccc3Cl)cs2)cc(OC)c1OC 2331266003 QNKRBTSTFYQWDX-UHFFFAOYSA-N 485.949 4.712 50 10 JJGE O=S1(=O)CC[C@H]([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)C1 2335369850 WIASRFAQUPGOLR-CDUCUWFYSA-N 454.970 4.766 50 10 JJGE O=C(c1cc(I)ccc1Br)N1[C@H]2CCC[C@H]2C[C@@H]1CCl 2354694279 QDTATUMRMWAXQF-PXWWUCIGSA-N 468.560 4.676 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CC[C@H](Br)C(F)(F)CC1 2365597476 HCNHMNZHTOOBRG-NSHDSACASA-N 478.502 4.579 50 10 JJGE CCOC(=O)c1c(NC(=O)[C@H](C)Cl)c(-c2ccc(OC)c(OC)c2)cn1Cc1ccccc1 23449156 OHPXXLSHICJRHY-INIZCTEOSA-N 470.953 4.963 50 10 JJGE COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OC(=O)CCCN1C(=O)c2ccccc2C1=O 31901772 MRJVDVWSNOJBGZ-CYVLTUHYSA-N 484.483 4.880 50 10 JJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1 38650612 LSMKWOGIUMWINQ-SANMLTNESA-N 456.498 4.678 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc(OC)c1OC 38660461 BZYGCMSQIXOZLS-QHCPKHFHSA-N 492.915 4.803 50 10 JJGE CCOc1ccc(CCN/C=C(/C#N)C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1OCC 217049798 RADFRIMMKHJJTH-IEIFRLRGSA-N 465.638 4.745 50 10 JJGE CC(C)(C)[C@@H](CCBr)NC(=O)c1cc(Cl)ccc1I 231174859 OSSWRLQPFAPRBY-GFCCVEGCSA-N 458.565 4.874 50 10 JJGE CCOc1ccc(CC(=O)NN=C(C)c2cccc(NC(=O)c3ccc(Br)o3)c2)cc1 254761768 IUEQRCARLDIZBF-UHFFFAOYSA-N 484.350 4.776 50 10 JJGE CC1(C)C[C@H](Cl)C[C@@H](NC(=O)c2cc(I)ccc2Br)C1 693872451 AUKXOIZNKMAOBI-MWLCHTKSSA-N 470.576 4.970 50 10 JJGE CC(=O)Nc1cccc2c1CCN(C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C2 918675267 CEVJIYGFBSWGQJ-KGENOOAVSA-N 498.974 4.567 50 10 JJGE Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)cc1Cl 1083916906 AMBCGHZRWOOURT-UHFFFAOYSA-N 456.329 4.970 50 10 JJGE C#CCOc1ccc(Br)c(C=NNC(=O)[C@H](C)Oc2cccc3ccccc23)c1 1084262621 VLNOXAJHRHPOQE-INIZCTEOSA-N 451.320 4.532 50 10 JJGE COc1c(Br)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1[N+](=O)[O-] 1084284370 XTVSOSGHDHPCIM-UHFFFAOYSA-N 497.099 4.639 50 10 JJGE COc1ccc(C(=O)NN=Cc2ccc(OCc3ccc(Br)cc3)cc2)cc1OC 1084632789 LJJQOSZMHDQZOO-UHFFFAOYSA-N 469.335 4.809 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccc(C(F)(F)F)cc2N)C1 1614642995 PPCRBDBEBSKIDC-MFKMUULPSA-N 470.273 4.673 50 10 JJGE C=C(C)[C@@H](NC(=O)NNC(=O)c1ccc(Br)cc1Cl)c1ccc(F)c(F)c1 1686173379 HIAIFXHDTKEGAX-MRXNPFEDSA-N 458.690 4.642 50 10 JJGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865700924 HTBUEPJXCPCOKK-NRFANRHFSA-N 464.953 4.773 50 10 JJGE CCn1nc(C)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1865701335 SLNDTONSVNWJKH-QFIPXVFZSA-N 450.926 4.671 50 10 JJGE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(OC(=O)c4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865704645 ASBBHXAAUWLUJB-QHCPKHFHSA-N 478.508 4.533 50 10 JJGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1c(F)cc(Br)cc1F 1916334758 KGXYWRMFZAEOOR-AWEZNQCLSA-N 477.143 4.780 50 10 JJGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2cc(CCl)sc2Br)C1 1921421071 WJCKDYPQZJXUCE-LSDHHAIUSA-N 491.904 4.781 50 10 JJGE Fc1ccc(CO[C@H](CCl)[C@H](I)CCl)c(Br)c1 2025679443 VTLIOWDBKFXKOG-GHMZBOCLSA-N 455.920 4.755 50 10 JJGE C[C@]1(CBr)CC(F)(F)CN1C(=O)c1cc(Br)c(Br)s1 2102795033 NRMHRIFYIYRSBJ-SNVBAGLBSA-N 481.982 4.908 50 10 JJGE C[C@@H]1C[C@@H](Cl)CCN(C(=O)c2cc(I)ccc2Br)C1 2103283382 BZAZFLBRWQCLFO-ZJUUUORDSA-N 456.549 4.533 50 10 JJGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1 2123210922 RDKSHAJMIQLTBT-UHFFFAOYSA-N 460.821 4.851 50 10 JJGE C[C@@H](Cl)CCCc1cn(-c2ccc(I)c(Br)c2)nn1 2132755581 JABLHMNUUCLRPG-SECBINFHSA-N 454.537 4.584 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@@H]2C[C@@H](Br)CC[C@H]21 2143979294 WJIOHILMAIKIKJ-ISTVAULSSA-N 466.011 4.990 50 10 JJGE CC1(C)CN(Cc2ccccc2)CCN(S(=O)(=O)c2cc(CCl)sc2Br)C1 2150463679 BOCYZNCZIINPLB-UHFFFAOYSA-N 491.904 4.782 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC2(CCC2)C[C@@H]1CBr 2151515204 FHVHQINHQBJZTJ-LLVKDONJSA-N 466.011 4.991 50 10 JJGE CCCC(CBr)(CCC)CN=[S@](C)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 2163059320 SARACARSUOHJLH-MHZLTWQESA-N 468.502 4.533 50 10 JJGE CCN(CC)CCCO[C@@](C)(CI)c1ccccc1Br 2175876737 MSFCGJNIEVUADD-INIZCTEOSA-N 454.190 4.848 50 10 JJGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 2235958173 MFZKUJMQJCIMET-UHFFFAOYSA-N 466.319 4.950 50 10 JJGE C[C@@H](CBr)CC1CN(c2ncc(C(F)(F)F)cc2I)C1 2239116035 CHOVIDUKVLCDBL-MRVPVSSYSA-N 463.079 4.562 50 10 JJGE CC(C)Cn1c(CBr)nnc1-c1ccc(Cl)c(I)c1 2268283170 AZCOKHYYJJTDQE-UHFFFAOYSA-N 454.537 4.754 50 10 JJGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@@H]2C[C@H]32)c1 2277962803 LYKYIAZVMPTKEG-HGPDSQILSA-N 450.996 4.941 50 10 JJGE O=S1(=O)CCC[C@@H]([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)C1 2288481602 XMPYRKFSDGTXSW-KBUNVGBDSA-N 452.542 4.595 50 10 JJGE N#CC(=Cc1ccc(OCCOc2ccccc2)c(Br)c1)C(=O)NCc1ccco1 2293653481 RNIRHLANMHFMJF-UHFFFAOYSA-N 467.319 4.723 50 10 JJGE COc1ccc(C=CC(=O)Oc2ccc(C=NNC(=O)COc3c(C)ccc(C)c3C)cc2)cc1 2294700859 UQSHNZUBLMSQQW-UHFFFAOYSA-N 472.541 4.768 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H](Br)CC12CCC2 2295310069 RPRQHVJTDJNKRQ-CYBMUJFWSA-N 466.011 4.673 50 10 JJGE Cc1ccc(CNC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)cc1 2314522761 XHHIVRCRZGPOPX-UHFFFAOYSA-N 476.536 4.842 50 10 JJGE CCCCCOc1ccc(C=NNC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cc1 2318417664 BGFUMYCVPPSRBC-UHFFFAOYSA-N 451.954 4.883 50 10 JJGE Clc1ccc(CN2CCS[C@@H](CCBr)C2)c(I)c1 2318529336 OTDOZKHHEDQVLM-LBPRGKRZSA-N 460.606 4.647 50 10 JJGE C[C@@H]1[C@H](Br)CCN(C(=O)c2cc(Br)c(Br)s2)[C@@H]1C 2321284054 BOEXZUUSYQWRNK-XLPZGREQSA-N 460.029 4.907 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CCC2CC1(CBr)C2 2336547310 YBOOKTNTHJKKHW-UHFFFAOYSA-N 451.984 4.601 50 10 JJGE O=C(N[C@@H](CBr)c1ccsc1)c1ccc(Cl)cc1I 2340054563 NYFWUAOLQDLCIZ-LBPRGKRZSA-N 470.557 4.872 50 10 JJGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@H]1CN(C[C@H](CBr)CC1CC1)C2 2370175110 MSHRPFXYIAWVSU-BXWFABGCSA-N 451.396 4.812 50 10 JJGE O=C(N[C@@H]1C[C@@H](CBr)C12CCC2)c1cc(Br)cc(Br)c1 2379721884 UBSRLDZBEQIHRZ-GXFFZTMASA-N 466.011 4.895 50 10 JJGE CCc1cc(Br)c(OC)c([C@H](Cl)c2cnn(C)c2I)c1 2381248673 YOQPMCVIHCYCKG-LBPRGKRZSA-N 469.548 4.686 50 10 JJGE CC[C@H](Oc1ccccc1)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14024539 JGNYXEBKBKLWEK-DEOSSOPVSA-N 473.573 4.855 50 10 JJGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1Br 33930449 KWQZUFAQNMYMMC-WDZFZDKYSA-N 470.201 4.930 50 10 JJGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1 38680715 JGDONXALCGSEDC-QHCPKHFHSA-N 464.880 4.854 50 10 JJGE Cc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1)CC3 39881547 JSSPWZAHYYDKRP-UHFFFAOYSA-N 456.933 4.966 50 10 JJGE CCCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)C)cc1OC 40950986 GOYXZBBTJIHYFN-ZMOGYAJESA-N 463.372 4.899 50 10 JJGE N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccc(Br)cc12)C(=O)NC[C@@H]1CCCO1 59087145 KMTYEOBWUPTVCV-OIOSCTRGSA-N 482.353 4.793 50 10 JJGE COc1cc([C@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)CCl)ccc1OC(C)C 97914672 DAXFIZUALPZXFF-XMMPIXPASA-N 477.001 4.833 50 10 JJGE COc1cc(F)c([C@@H](Br)c2csc(I)c2)cc1OC 124435648 KQEUVUIEYRHALR-ZDUSSCGKSA-N 457.102 4.993 50 10 JJGE CC(CBr)(CBr)NC(=O)c1ccc2cc(Br)ccc2c1 126418683 XDWDIUVVKTXOER-UHFFFAOYSA-N 463.995 4.881 50 10 JJGE N#C/C(=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N1CCN(Cc2ccccc2)CC1 217257494 VAGRQYKGLQABQP-VKAVYKQESA-N 482.428 4.888 50 10 JJGE CC(C)C(=O)[C@H](Br)Cc1ccc(I)cc1Br 300915536 UMXNSLHUHJWYAL-LLVKDONJSA-N 459.947 4.585 50 10 JJGE O=C(N[C@@H](CBr)C1CCCC1)c1cc(Br)c(Br)s1 386115816 LDBINKRUTJNPRD-VIFPVBQESA-N 460.029 4.957 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CCl)[C@@H](c2cccc(I)c2)C1 394788889 QKFYMWSIJGSCLS-SJLPKXTDSA-N 455.723 4.882 50 10 JJGE C[C@@H]1C[C@H](CBr)CN(c2ncc(C(F)(F)F)cc2I)C1 686109247 RMRAODOFUHBWIW-RKDXNWHRSA-N 463.079 4.562 50 10 JJGE COc1cc(C[C@H](Br)c2ccc(I)c(Br)c2)ncn1 721581542 YPVWAAZMFUBKLI-JTQLQIEISA-N 497.956 4.531 50 10 JJGE Cc1ccc(OCC(=O)NN=Cc2cccc(OCc3cccc(Br)c3)c2)cc1 1084636063 CPMSCNOBDRPSJY-UHFFFAOYSA-N 453.336 4.866 50 10 JJGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746445 UPJXWWRMVJQMQH-UHFFFAOYSA-N 489.513 4.829 50 10 JJGE Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747747 QKEUOYHURRLNJF-UHFFFAOYSA-N 497.342 4.969 50 10 JJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865709591 DFFVFSRSPFZMIO-HSZRJFAPSA-N 495.495 4.683 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc[nH]1 1865710351 WDEONEHGIQARCT-CQSZACIVSA-N 454.239 4.803 50 10 JJGE F[C@H](CBr)C1CCN(Cc2cc(Cl)ccc2I)CC1 2106957642 WZHYPMFHIQCKKF-CYBMUJFWSA-N 460.556 4.890 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CCC[C@@H](CCCl)C1 2142280336 CDAYXORDKXGIMP-JTQLQIEISA-N 456.549 4.535 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)NCC[C@H](Br)C(C)C)cc1Br 2146557145 ZVSMGICWVMOMDE-JTQLQIEISA-N 492.071 4.608 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CCC([C@H](F)CBr)CC1 2163245657 MSIBLZHXCIYNEP-CYBMUJFWSA-N 471.990 4.797 50 10 JJGE CC(C)C[C@H](CBr)CNS(=O)(=O)c1cc(Br)ccc1Br 2177247503 YARGSPZPJVNOHW-SNVBAGLBSA-N 492.071 4.547 50 10 JJGE FC(F)[C@@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(Br)cnc21 2193242688 HPOFXLCDPLOJEL-ZBFHGGJFSA-N 455.734 4.871 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CN(CCCCCI)C[C@@H]1c1ccccc1 2227435682 KCWBNSFMOSCEAR-RTBURBONSA-N 472.411 4.832 50 10 JJGE Cc1ccc(C(=O)NC2(CBr)CCC(C)CC2)cc1I 2232827976 QJLXEVUAPABKFU-UHFFFAOYSA-N 450.158 4.673 50 10 JJGE CC(=NNC(=O)COc1c(Cl)cc(Cl)cc1Br)c1cccc([N+](=O)[O-])c1 2297710296 AVLSQWSZVUTGMG-UHFFFAOYSA-N 461.099 4.583 50 10 JJGE Cc1ccc(COc2cccc(C=NNC(=O)COc3ccc4c(C)cc(=O)oc4c3)c2)cc1 2328804040 MPYKAMPSYCDFMF-UHFFFAOYSA-N 456.498 4.518 50 10 JJGE COc1ccc(C=C(C#N)C(=O)N[C@H](CC(C)C)C(=O)Nc2ccc3ccccc3c2)cc1OC 2329700889 PHJUSHXRMJYOHS-XMMPIXPASA-N 471.557 4.934 50 10 JJGE CN(C(=O)c1ccc(Cl)cc1I)C1(CCBr)CCC1 2340056475 FHLVGWPCKMOBDV-UHFFFAOYSA-N 456.549 4.724 50 10 JJGE CCn1nc(Br)c(C[C@@H](CBr)Cc2ccccc2Br)n1 2379920442 UXKWQOWICXIJTG-JTQLQIEISA-N 466.015 4.619 50 10 JJGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)N/N=C/c4ccc(C(C)(C)C)cc4)c(=O)c23)C1 1783789 COVMRBXYDQVYER-CWXNWQNDSA-N 450.608 4.592 50 10 JJGE COc1cc(C=NNC(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 8437625 QVXXIKIAIRBTQS-UHFFFAOYSA-N 465.937 4.747 50 10 JJGE O=C(N/N=C/c1ccccc1Br)c1ccn(Cc2ccc(Cl)cc2Cl)n1 20494495 IHJLUJQRSVGZCY-LSHDLFTRSA-N 452.139 4.765 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(F)c1 38677806 IKAZZKHEPPDNES-QHCPKHFHSA-N 450.853 4.682 50 10 JJGE CC(C)CN(CC(C)C)c1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 40613954 OBRNQQHEVBXOBP-UHFFFAOYSA-N 476.581 4.778 50 10 JJGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Nc1ccc(F)c(Cl)c1 40794885 QOYHMYYQPPXEEB-UHFFFAOYSA-N 462.916 4.870 50 10 JJGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OC(C)C)c(OC)c2)c(OC)c1 207007796 LHMPYWOISHCYBW-RDVIPMJXSA-N 465.502 4.580 50 10 JJGE N#C/C(=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NCc1ccc2c(c1)OCO2 216999537 GDYRFOYETQENIE-XFXZXTDPSA-N 457.330 4.589 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3sccc3C)n2-c2ccccc2)cc1OC 254288952 CHGLDVNLCZLNPK-UHFFFAOYSA-N 493.614 4.564 50 10 JJGE BrC[C@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(I)cc1 382684367 GUKLFQNUEZFJCN-WMZOPIPTSA-N 456.165 4.902 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccccc2S)C1 394745157 ZIWOYIWYAOYTLK-WBVHZDCISA-N 453.345 4.763 50 10 JJGE C[C@@H](Br)[C@H]1CCCCN1S(=O)(=O)c1cc(Br)ccc1Br 688892712 XEZNJAMGAYWMDR-BXKDBHETSA-N 490.055 4.538 50 10 JJGE C[C@H](Br)[C@H]1CCCN(C(=O)c2cc(Cl)ccc2I)C1 689041855 AQZYVIBTXPCLDU-UWVGGRQHSA-N 456.549 4.580 50 10 JJGE CC[C@H](C[C@H](C)Br)NC(=O)c1cc(I)ccc1Br 716940979 RVPKXGQZHQXZGO-WCBMZHEXSA-N 488.989 4.736 50 10 JJGE CC1CCN(Cc2cccc(CNC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)c2)CC1 727104610 FTJWWWRTJKBRRI-IMRQLAEWSA-N 492.627 4.919 50 10 JJGE CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNC(=O)CCc2ccco2)cs1 748144988 POUTYGFZFXYRSI-UHFFFAOYSA-N 450.442 4.522 50 10 JJGE O=C(COc1ccc(Br)cc1Br)NN=Cc1cccc2ccccc12 1084460402 AQPPGIOLXVMTFB-UHFFFAOYSA-N 462.141 4.894 50 10 JJGE C=CCN1C(=O)c2ccc(C(=O)Nc3ccccc3S[C@H](Cl)C(F)(F)F)cc2C1=O 1124715505 CWMWIVLYNGXCII-IBGZPJMESA-N 454.857 4.940 50 10 JJGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(O)cc1)CCC2 1772745075 QCCGSVWCELMKHH-UHFFFAOYSA-N 451.910 4.978 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865707870 IGPYZEWXEHTBSG-HSZRJFAPSA-N 468.488 4.670 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)c(OC)c1 1865707881 ILRTZHVEDPZXIP-XMMPIXPASA-N 482.515 4.973 50 10 JJGE CC(C)(CBr)COCc1cc(I)ccc1Br 1902214088 XFWOKOPVPWAGJU-UHFFFAOYSA-N 461.963 4.991 50 10 JJGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1F 1915094074 CQCSSVVWWGJEDX-ZDUSSCGKSA-N 479.209 4.953 50 10 JJGE CC1(C)C[C@H](Br)CN(c2ncc(C(F)(F)F)cc2I)C1 1923146734 DGWJMEUECFIZGX-VIFPVBQESA-N 463.079 4.705 50 10 JJGE Brc1cccc(Br)c1CN1C[C@@H](Br)C[C@@]2(CCCO2)C1 1924251416 MLXCTFXZSQMJNK-NHYWBVRUSA-N 468.027 4.730 50 10 JJGE C[C@H]1C[C@H](CBr)CCN1C(=O)c1cc(Br)c(Br)s1 2052359728 MHMGJGGAOIGSRE-JGVFFNPUSA-N 460.029 4.909 50 10 JJGE CC1(C)C[C@H](Br)CCN(c2ncc(I)cc2Br)C1 2069527333 BJQSKEZYZGILSP-SECBINFHSA-N 488.005 4.839 50 10 JJGE CC(C)Cc1ccnc(-n2nc(CBr)c(I)c2C(F)(F)F)c1 2078923636 GJHUEERJGLRTQU-UHFFFAOYSA-N 488.089 4.984 50 10 JJGE FCCOc1ccc(Cn2nc(CBr)c(Br)c2C(F)(F)F)cc1 2079231072 VUDMDHRBNLCMQE-UHFFFAOYSA-N 460.063 4.956 50 10 JJGE Cc1ccc(F)cc1Cn1nc(CBr)c(I)c1C(F)(F)F 2079245887 QIHHTWHSUNKHBF-UHFFFAOYSA-N 477.037 4.897 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](Br)CC12CC2 2113571043 WTECDXVSEGIEGR-JTQLQIEISA-N 498.984 4.586 50 10 JJGE O=C(NC[C@H](Br)CC(F)(F)F)c1cc(Br)ccc1Br 2119066820 YMPPFMDZASKTAT-SSDOTTSWSA-N 467.905 4.657 50 10 JJGE Cn1nnc(Br)c1CC(CBr)(CBr)C1CCCCCC1 2145947534 NYPYWWLDEAQPKW-UHFFFAOYSA-N 472.063 4.867 50 10 JJGE CC1(C)CC(CCl)(CNC(=O)c2ccc(I)c(Br)c2)C1 2158302918 JDMFGDWTHFTXIG-UHFFFAOYSA-N 470.576 4.829 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CN(CC2(CBr)CCCCC2)C[C@@H]1C(F)(F)F 2163058086 HSVSLPYGTUIINH-CABCVRRESA-N 457.375 4.967 50 10 JJGE CC[C@@H]1CN(S(=O)(=O)c2cc(CBr)ccc2Cl)CCN1Cc1ccccc1 2179784903 FQXJYQGCNNWPDL-GOSISDBHSA-N 471.848 4.520 50 10 JJGE Cl[C@@H]1CCC[C@@H]2CN(c3ncc(I)cc3Br)CC[C@@H]21 2225494532 ZKXHFQAWMOISEX-SUZMYJTESA-N 455.565 4.683 50 10 JJGE COc1ccc(C(=O)N[C@H](C)CCCCCI)c(Br)c1 2240880395 NZODRNAKTDFPBK-LLVKDONJSA-N 454.146 4.571 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N(CCBr)Cc1ccccc1 2241522987 OXKGZHPCMHWBJH-UHFFFAOYSA-N 478.555 4.982 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC1CCCN(C(=O)OC(C)(C)C)CCC1 2243761958 MDNCDRIZMFUFNV-UHFFFAOYSA-N 463.710 4.662 50 10 JJGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(C(=O)OCC)cc3)o2)cc1 2296655623 OLPXVLUDSNABPM-UHFFFAOYSA-N 458.470 4.846 50 10 JJGE O=C(O)C(NC(=O)c1ccccc1)=C(Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2297498830 OQYABNUUDXZGCY-UHFFFAOYSA-O 486.915 4.903 50 10 JJGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(F)c(Br)c1 2303549119 PFSPHMFMZWCDQE-HNNXBMFYSA-N 459.153 4.688 50 10 JJGE CC[C@@H](C)[C@@H](CBr)NCc1ccc(I)c(Br)c1 2306219882 QWEVIIAOFRTVNT-NOZJJQNGSA-N 475.006 4.953 50 10 JJGE CC1=C(C#N)C(=O)N(C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 2314617626 LFQALUWTXXBHNC-UHFFFAOYSA-N 466.541 4.857 50 10 JJGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(c4ccccc4C(=O)OC)C3)n2)cc1 2331305448 DSXQKZRRAHMZTK-QGZVFWFLSA-N 489.553 4.841 50 10 JJGE CCN(C(=O)c1ccc(Cl)cc1I)[C@@H]1CCC[C@H]1Br 2340058673 PUQLRVOHZSWEMW-DGCLKSJQSA-N 456.549 4.723 50 10 JJGE CC(C)[C@@H](Cl)c1cn(Cc2ccc(I)c(Br)c2)nn1 2349847974 ONCGFJCWDGURRO-CYBMUJFWSA-N 454.537 4.629 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CC[C@H]2CC[C@H](Cl)[C@@H]1C2 2355760525 HIMMHCNIPZAXHL-LQJRIPTKSA-N 468.560 4.676 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1[C@H]2CCC[C@H]2C[C@@H]1CBr 2359380175 LEKQDHRXIJSNDS-PXWWUCIGSA-N 468.560 4.723 50 10 JJGE Clc1ccc(CN(CCCBr)C2CCOCC2)cc1I 2381153283 SVXMTPSKMSNDCW-UHFFFAOYSA-N 472.592 4.711 50 10 JJGE O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1cc(-c2cccc(OCc3ccc(Cl)cc3)c2)[nH]n1 2195031 QAOYILVURYISBX-UHFFFAOYSA-N 475.892 4.981 50 10 JJGE CC(C)(C)c1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 12488171 GDOOLWZEYXVBRS-UHFFFAOYSA-N 455.352 4.740 50 10 JJGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 13980382 KOXXSELQOVIIRZ-SFHVURJKSA-N 451.567 4.559 50 10 JJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14649951 UWQPULJIMWDOOV-INIZCTEOSA-N 491.426 4.865 50 10 JJGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1ccc(O)cc1 58989533 SHHKSPWAGLEEKY-VFCFBJKWSA-N 485.613 4.781 50 10 JJGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C1=O 214254546 FUDSZFMJZIKABQ-BEXDPUPVSA-N 466.541 4.939 50 10 JJGE O=C(Nc1cc(Br)ccc1I)[C@H](Cl)c1ccccc1 306023262 UNZFZRFUNLLPJD-CYBMUJFWSA-N 450.501 4.972 50 10 JJGE CCN(C[C@](C)(CI)OCc1cccc(OC)c1)C(=O)OC(C)(C)C 310598761 ZAPCEEFSJSDMAS-IBGZPJMESA-N 463.356 4.663 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(I)cc2)[C@@H](CCl)C1 382682966 FLCLGMZLNMLBMR-FUHWJXTLSA-N 455.723 4.882 50 10 JJGE Cn1ncc([C@@H](Br)c2ccc(F)c(Br)c2F)c1I 691542326 PTTROGMHWJMKFZ-QMMMGPOBSA-N 491.899 4.550 50 10 JJGE Cc1cc(Cl)ccc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2cccc(Br)c2)c1C 725400285 SODAQKXOOMSUTK-UHFFFAOYSA-N 487.785 4.907 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)cc1 1084069996 IBDKEFRCRYIZOP-QFIPXVFZSA-N 451.479 4.526 50 10 JJGE CC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)nc1 1476398415 HLJCHRWEUKTXQV-UHFFFAOYSA-N 454.939 4.696 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1cc(Cl)ccc1O 1865688923 FSGHINBJPCVLIM-MRXNPFEDSA-N 464.806 4.666 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3C)ccc1OCc1c(Cl)cccc1Cl 1865689407 RKZQMBJGXYFFKD-OAQYLSRUSA-N 471.344 4.841 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc2c(c1)OCCO2 1865697997 HPTYJCBPKHWPBM-SFHVURJKSA-N 488.853 4.593 50 10 JJGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cn(C)c3ccccc23)cc1 1865699310 QFRVHGUPWIADHS-FQEVSTJZSA-N 463.463 4.969 50 10 JJGE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2F)c1 1865701906 HVXYPSXNJUOLDE-NRFANRHFSA-N 467.342 4.976 50 10 JJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865709763 GIFZGGRFXPYGFK-XMMPIXPASA-N 480.524 4.783 50 10 JJGE COc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)cc1 1866126842 RNUWRJTZHVSTAA-CPNJWEJPSA-N 457.486 4.510 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H]1C[C@@H]1Br 1877388976 OQSWPIPGVJBSJH-ZMMDUFCOSA-N 485.422 4.839 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H](CBr)C2(CCC2)C1 1914494804 XJUMKWWJUFSEMJ-LLVKDONJSA-N 468.560 4.582 50 10 JJGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1Br 1915073336 DUFIPBBGCJGAGS-OAHLLOKOSA-N 461.219 4.814 50 10 JJGE Brc1cccc(CN2C[C@@H](Br)C[C@]3(CCCO3)C2)c1Br 1924261798 ZXIBTQADBVFFRQ-SWLSCSKDSA-N 468.027 4.730 50 10 JJGE O=S(=O)(C[C@@H](Br)c1csc(Br)c1Br)N1CCCCC1 2093942432 RXGBBBKRNVMHNF-SECBINFHSA-N 496.084 4.525 50 10 JJGE O=C(N[C@H]1CC[C@@H](CBr)CC1)c1cccc(Br)c1Br 2118509594 APKGSXGNKAWBSG-AOOOYVTPSA-N 454.000 4.895 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CC[C@@H]2C[C@@H](Cl)CC[C@H]21 2143974254 JSFLDVBIFBFTRS-ISTVAULSSA-N 468.560 4.676 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]([S@](C)(=O)=NC[C@H](CBr)c2ccccc2)C1 2163059593 URHKXKJMTAZIJE-VFUKXHBFSA-N 459.450 4.662 50 10 JJGE Cn1nc(-n2c(CCl)nc3cc(Br)c(Br)cc32)cc1Br 2234068748 QERSXERGNVLKNE-UHFFFAOYSA-N 483.389 4.785 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2CCC[C@@]2(CBr)C1 2283661380 AJLCPULSGQHVSD-IAQYHMDHSA-N 468.560 4.582 50 10 JJGE COc1ccc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1OCc1cccc(Cl)c1 2295672619 BMAWTNPCLGZBPB-UHFFFAOYSA-N 476.916 4.880 50 10 JJGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)NCCc2ccccc2)cc1 2296834917 AHGIQEFSNIYXEF-VWLOTQADSA-N 467.594 4.780 50 10 JJGE CCN(CC(C)(C)CI)[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2306808893 DQNSJNQDPIPOCO-HZPDHXFCSA-N 452.421 4.853 50 10 JJGE CC[C@H](C)[C@@H](CI)NC(=O)c1ccc(Cl)cc1I 2317769151 RCXRACNGQCQCTM-QPUJVOFHSA-N 491.538 4.524 50 10 JJGE CCCCCCOc1ccc(C=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)cc1OC 2328826141 HKTJUGUNTIFLFT-IBGZPJMESA-N 481.659 4.751 50 10 JJGE N#CC(=C(O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2c[nH]c3ccccc23)cs1 2331349126 STIPXHKUMIXDEA-UHFFFAOYSA-N 485.481 4.679 50 10 JJGE COc1c(C)cc(Br)cc1[C@H](Br)c1c(Br)ncn1C 2337286114 VWZLAWQDTCSXLE-JTQLQIEISA-N 452.972 4.746 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CC[C@@]2(CCC[C@H]2Br)C1 2365593530 USQHYMMSJQBHEU-HIFRSBDPSA-N 468.560 4.724 50 10 JJGE Cc1scc(CN(C)S(=O)(=O)c2cc(CBr)cs2)c1Br 2369645016 QBPZCPRKMQSYNA-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE Cc1cccc(Cl)c1OCc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2C)o1 9695082 YWROEHQYZPOCHA-BRJLIKDPSA-N 468.966 4.950 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)c(OC)c1 38656771 RZEQKIDVNMADET-QHCPKHFHSA-N 462.889 4.795 50 10 JJGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(F)c2)cc1Cl 38700510 QYXYKUASYTUZFJ-QFIPXVFZSA-N 450.853 4.925 50 10 JJGE Cc1cc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)no1 40826771 GXIBEVSQGAVBEV-TURZUDJPSA-N 474.517 4.899 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCCOc1ccccc1C 40870104 PEMGOGNAWKRGSX-JJIBRWJFSA-N 484.552 4.992 50 10 JJGE COc1cccc(O[C@H](C)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 40960756 CXHSRMVJYUYJLS-VSWHYLHOSA-N 468.937 4.854 50 10 JJGE COC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)sc(C(C)=O)c1C 102619264 HSQACEQZWRCZFQ-RIYZIHGNSA-N 467.528 4.875 50 10 JJGE COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1C 207245894 YVEMMRDOEAFFNS-MXZSFLGVSA-N 491.567 4.815 50 10 JJGE COc1ccc(-c2nc(/C=C\C(=O)NNC(=O)CC34CC5CC(CC(C5)C3)C4)cs2)cc1 207358411 UKXSSKNOURMNCE-DAXSKMNVSA-N 451.592 4.586 50 10 JJGE O=c1[nH]c2ccc([C@H](Cl)c3cc(Br)ccc3I)cc2o1 236041286 TYSLGCHZBRZYFE-ZDUSSCGKSA-N 464.484 4.816 50 10 JJGE O=C(NC[C@@H]1CCC[C@H](CCl)C1)c1cc(Br)ccc1I 312245933 DOAADDFPCJTGQO-WDEREUQCSA-N 470.576 4.829 50 10 JJGE CCOc1ccc([C@@H](Cl)c2cnn(C)c2I)c(Br)c1 379231848 ZWFQSSQKFORZJO-GFCCVEGCSA-N 455.521 4.514 50 10 JJGE Nc1cc(Br)ccc1[C@@H]1CN(Cc2ccccc2)C[C@H]1CI 394693455 QFZCHEORVGQXAI-RHSMWYFYSA-N 471.180 4.682 50 10 JJGE CC(C)[C@H](CCBr)NC(=O)c1ccc(I)c(Br)c1 721616480 UQXHWEHHYNSVTB-LBPRGKRZSA-N 488.989 4.593 50 10 JJGE Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NNC(=O)c1cc(-c2ccco2)nc2ccccc12 807312845 USMGQYDPRRJAGX-UHFFFAOYSA-N 476.558 4.924 50 10 JJGE C#CCC1(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)CCOCC1 1598177665 XYEHZUSPXBBFSC-XMHGGMMESA-N 456.373 4.997 50 10 JJGE Cc1c(C(=O)N2CCCC[C@@H]2C)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744413 WZTIDPYHSVCYDQ-AWEZNQCLSA-N 472.383 4.836 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1OCC 1865688981 GOVVGZFCXOYGJK-QFIPXVFZSA-N 495.377 4.959 50 10 JJGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696165 KMJJZRDGSVLXBF-OAQYLSRUSA-N 479.378 4.797 50 10 JJGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707043 MJSFSJFRHDZOCA-SFHVURJKSA-N 457.317 4.674 50 10 JJGE N#C/C(=C(/O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(F)cc2)cs1 1872753315 QZXXLZWICFMIHG-MNDPQUGUSA-N 478.461 4.726 50 10 JJGE Cc1ccc(S(=O)(=O)NC/C(O)=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1 1872756118 RTTAQHIHKGCBJV-VZCXRCSSSA-N 453.589 4.815 50 10 JJGE C[C@@](CCl)(CBr)OCc1cc(I)ccc1Br 1902318628 VUKFAVAWEYQBBP-NSHDSACASA-N 482.381 4.963 50 10 JJGE O=C(c1cc(Br)ccc1I)N1C[C@H](CCl)C2(CCC2)C1 1914492124 LOHJKBIZVITZRE-JTQLQIEISA-N 468.560 4.535 50 10 JJGE Cc1nn(-c2ccc(CBr)cc2Br)c(C)c1I 1945161708 HLWYXEGQSADOQY-UHFFFAOYSA-N 469.946 4.751 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H](Br)CC12CCC2 2038062459 WHZAZMWNRCAQOB-SSDOTTSWSA-N 458.013 4.805 50 10 JJGE Cc1nn(-c2cc(Br)cc(F)c2CBr)c(C)c1I 2051132044 UKDUDUMMYDPTHU-UHFFFAOYSA-N 487.936 4.890 50 10 JJGE O=C(NC[C@@H](Br)CC(F)(F)F)c1ccc(Br)cc1Br 2119066263 QIWIQRNHWSZHRM-ZETCQYMHSA-N 467.905 4.657 50 10 JJGE C[C@](CI)(OC1C(F)(F)C1(F)F)c1ccccc1Br 2126307631 PHEFDKZYMLPWLS-SNVBAGLBSA-N 453.011 4.769 50 10 JJGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CCCS(=O)(=O)C2)c1Br 2138862961 KVOYCASMIUSLOF-NOZJJQNGSA-N 475.040 4.781 50 10 JJGE CC[C@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@H]1CBr 2140783781 GACDPPMPEWYCAG-VHSXEESVSA-N 454.000 4.705 50 10 JJGE O=C(N[C@H]1CCCCC[C@@H]1Cl)c1ccc(Br)cc1I 2142285324 OBYSYZPLGJNCGJ-AAEUAGOBSA-N 456.549 4.724 50 10 JJGE C[C@H]1CC[C@H](CCl)CN1C(=O)c1ccc(Br)cc1I 2142289693 SJGFJQNDHMWTTP-VHSXEESVSA-N 456.549 4.533 50 10 JJGE C[C@H](CO[C@@H](CI)c1cccc(Br)c1)N1CCCCC1 2186731957 BRVXQUZRCOLILF-CJNGLKHVSA-N 452.174 4.816 50 10 JJGE CC[C@H](Br)[C@H]1CCCCN1C(=O)c1ccc(I)c(C)c1 2207108776 QFAZVDWNYNWOTB-DZGCQCFKSA-N 450.158 4.768 50 10 JJGE FC(F)(F)[C@@H]1CN(Cc2ccc(I)c(Cl)c2)C[C@@H]1CBr 2208029997 OXMJWPCYEPLWJG-VHSXEESVSA-N 482.509 4.950 50 10 JJGE CC(C)(C)OC(=O)N[C@H](C[S@](C)(=O)=NCC1(CBr)CC(F)C1)C(C)(C)C 2265631409 DDHLYKOZZQBHNE-FHGKYCQFSA-N 457.450 4.537 50 10 JJGE CCC(CBr)(CBr)NC(=O)c1cc(Br)c(F)cc1Cl 2270353586 OTBNWKDMTHRBKO-UHFFFAOYSA-N 480.397 4.910 50 10 JJGE C=CC[C@H](Br)[C@H]1CCN1C(=O)c1cc(Br)sc1Br 2314228268 AFQSPUJEEDSNHG-DTWKUNHWSA-N 458.013 4.827 50 10 JJGE COc1cc(C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314618735 SPINZOPSRXTYEZ-FQEVSTJZSA-N 492.959 4.699 50 10 JJGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 2314634105 MMWTWGMSXJVXAZ-RUZDIDTESA-N 453.454 4.740 50 10 JJGE BrC[C@@H]1CCN(Cc2ccc(I)c(Br)c2)C12CC2 2325232457 BPJRKWVMGMRNOO-NSHDSACASA-N 485.001 4.803 50 10 JJGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CNc1ccc(OCC)c(OCC)c1 2325307011 CFFDMKBLPHWAMW-UHFFFAOYSA-N 451.523 4.899 50 10 JJGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OCc4ccccc4F)c(OC)c3)nc2c1 2331046384 NKYOXUZEBOHDLU-UHFFFAOYSA-N 485.471 4.913 50 10 JJGE CCn1c2ccccc2c2cc(C=NNC(=O)[C@H](NC(=O)Cc3cccs3)C(C)C)ccc21 17150240 RJAVNUXZLAZRHU-RUZDIDTESA-N 460.603 4.710 50 10 JJGE Cc1c(C(=O)Nc2ccccc2F)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40822922 ARLZTVMBRNHOGI-WPWMEQJKSA-N 485.313 4.607 50 10 JJGE CCCCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2CC)cc1OC 40959866 GHAZFFCAFPGPMB-ZVHZXABRSA-N 463.372 4.728 50 10 JJGE O=C(CN(Cc1ccccc1)Cc1ccccc1)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21 59166551 GKJCCAUEUXWJLE-KKYHWDRJSA-N 488.591 4.756 50 10 JJGE O=C(Cn1nnc2ccccc21)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl 59181368 FEIFHVSALGOVEL-BRJLIKDPSA-N 498.768 4.577 50 10 JJGE COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc(OC)c1O 66200740 CPNSAXSAXWQNAV-LQKURTRISA-N 475.545 4.723 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C=C\c1ccc(F)cc1 206396452 DZHKBXNQLKNAHZ-XIABTENZSA-N 456.473 4.676 50 10 JJGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1I 252626201 QYFKYSXCPMZYJV-UHFFFAOYSA-N 492.320 4.908 50 10 JJGE Cl[C@@H](c1cc(I)cc2c1OCC2)c1nscc1Br 404789701 DJOAQTQSINNHNH-JTQLQIEISA-N 456.530 4.773 50 10 JJGE C[C@H](Br)[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)ccc1Br 688892713 XEZNJAMGAYWMDR-CABZTGNLSA-N 490.055 4.538 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(Br)cc2[N+](=O)[O-])[C@@H](CCl)C1 725398451 LGIRXMYIEBPCNJ-YOEHRIQHSA-N 453.720 4.948 50 10 JJGE CC(=NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)[C@H]1C[C@@H]1c1ccccc1Cl 920361943 DORVSMZJUMFULV-DHIUTWEWSA-N 482.005 4.728 50 10 JJGE CCOc1ccc(C=NNC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1 1084088374 ZVNCIYWKYQMRFN-UHFFFAOYSA-N 485.613 4.694 50 10 JJGE Cc1ccc(N(CC(=O)NN=Cc2ccc3c4c(cccc24)CC3)S(=O)(=O)c2ccccc2)c(C)c1 1084150550 YYBBRQXTRZSIBC-UHFFFAOYSA-N 497.620 4.901 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)[C@@H](C)SCc3ccccc3)cc2)cc1 1084420996 LLIRKZJJWQLXFU-LJQANCHMSA-N 468.600 4.535 50 10 JJGE C=CC[C@@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C)C(=O)OCC 1624932105 VTEFJWYBNMFJFJ-MUPHDSPYSA-N 459.468 4.644 50 10 JJGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)N4c5ccccc5C[C@H]4C)c(C)c32)cc1 1772746365 VAMHSLYOLXHZGO-MRXNPFEDSA-N 457.530 4.658 50 10 JJGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)c1 1865689953 HLYACKPUWBVGDS-LJQANCHMSA-N 454.452 4.876 50 10 JJGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1cccc(Cl)c1 1865693612 PLMAJUFHDOTEPT-OAQYLSRUSA-N 464.953 4.773 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)ccc1OCc1ccccc1C 1865702745 DEIIPZPTWVTRKJ-HXUWFJFHSA-N 484.478 4.943 50 10 JJGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCc3c[nH]c4ccccc34)CC2)n1 1868480621 QPAOGJXNXJEVSH-UHFFFAOYSA-N 469.618 4.948 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@@H](Cl)CCc1ccc(Cl)c(I)c1 1887438697 ONVYXYVCYIUSSA-LBPRGKRZSA-N 474.125 4.781 50 10 JJGE BrC[C@H](Nc1ncc(I)cc1Br)C1CCCC1 2015758977 OYHBLHZUECMUGR-NSHDSACASA-N 473.978 4.814 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@@H]2CCCCC2(F)F)C1 2020373490 WAHQKWWEQHQDNE-CJNGLKHVSA-N 459.315 4.786 50 10 JJGE CN(NC(=CC#N)NC(=O)Nc1cccc(C(F)(F)F)c1)c1ncc(C(F)(F)F)cc1Cl 2038963793 MRGVMMIIUPDEQN-UHFFFAOYSA-N 478.784 4.900 50 10 JJGE Brc1cc(Br)c([C@@H](Br)[C@@H]2CCn3ncnc3C2)s1 2046632813 FGEMDAYDIQUSGA-LDWIPMOCSA-N 456.001 4.563 50 10 JJGE O=C(c1scc(Br)c1Br)N1CCC2(CC1)C[C@H]2CBr 2092483076 AHAAWSWGXISTGW-QMMMGPOBSA-N 472.040 4.910 50 10 JJGE O=C(NC[C@@H]1CCC[C@H]1CBr)c1c(Br)cccc1Br 2094088848 PRUIHLHCFIFXIP-UWVGGRQHSA-N 454.000 4.753 50 10 JJGE CN([C@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1csc(CBr)c1 2123237921 RVQISYISVHRYRT-ROUUACIJSA-N 458.443 4.647 50 10 JJGE Cc1cccc(C(CBr)(CBr)Cc2c(Br)cnn2C)c1 2143633245 GXXKJALICXMRAD-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE O=S(=O)(N[C@H](CCBr)C1CC1)c1c(Cl)cc(Br)cc1Cl 2146589436 SQSYPEXDVITQHR-LLVKDONJSA-N 466.022 4.598 50 10 JJGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1 2179787891 VDDYNJZNJJTCLM-UHFFFAOYSA-N 473.864 4.768 50 10 JJGE O=C(NC[C@@]12CCC[C@@]1(CCl)C2)c1cc(I)ccc1Br 2208037922 AKYYSCWDUUCTEL-GJZGRUSLSA-N 468.560 4.583 50 10 JJGE COc1ccc([C@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)cc1I 2285011808 RJCCALLXASCREO-DZJQYVJYSA-N 451.142 4.799 50 10 JJGE N#CC(=Cc1cc(Cl)c(OCC(=O)O)c(Br)c1)C(=O)Nc1ccc(Cl)cc1 2294171924 JYSULVJSSQEDBI-UHFFFAOYSA-N 470.106 4.765 50 10 JJGE COc1ccc(CNC(=O)C(C#N)=C2N=C(NC(=O)c3ccc(C(C)(C)C)cc3)c3ccccc32)cc1 2296532703 LDRJUNYOINGMFR-UHFFFAOYSA-N 492.579 4.734 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(O)c(OC)c2)sc2c1CC[C@H](CC)C2 2314572130 UBNILXUPSWDJPS-AWEZNQCLSA-N 454.548 4.700 50 10 JJGE COc1ccc(F)cc1[C@@H](Br)c1c(Br)c(Br)nn1C 2338861586 RTCFUZZNHMKRRD-SECBINFHSA-N 456.935 4.577 50 10 JJGE COc1cc(F)c(F)cc1[C@H](Br)c1c(Br)c(Br)nn1C 2364068601 DITUHEYVTVKDBH-VIFPVBQESA-N 474.925 4.716 50 10 JJGE C/C(=N\NC(=O)COc1ccc(Br)cc1Cl)c1ccc(Br)cc1 13977905 MZFMJPBCVSRXML-KEBDBYFISA-N 460.553 4.784 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@H]1c1ccc(F)cc1 38652493 CSMOEZCFOPIMPM-HSZRJFAPSA-N 495.304 4.791 50 10 JJGE O=C(NNc1ncnc(NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccccc1Cl 40650606 LXACLCHEQUAWSX-UHFFFAOYSA-N 474.908 4.997 50 10 JJGE COc1ccc(/C=C(\C#N)C(=O)Oc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2OC)cc1 40844469 FVYNBHSSBCECRC-CPNJWEJPSA-N 465.461 4.679 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C(=C/c1ccccc1)c1ccccc1 41012551 UUOJOPULWQMWIJ-XUWUHCBVSA-N 494.547 4.607 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 101340578 KMKOTWYLPXITKP-CIAFOILYSA-N 457.417 4.786 50 10 JJGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)C1=O 214253881 FZPBXPVSFHBQBO-PVFDWLMNSA-N 496.567 4.947 50 10 JJGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)C1=O 214354863 FOXSRHCAJOLTQD-QETRNLNESA-N 490.563 4.949 50 10 JJGE CCC(CC)[C@H](Br)CNS(=O)(=O)c1cc(Br)ccc1Br 230664037 LQTZGYWUTMUFFQ-GFCCVEGCSA-N 492.071 4.690 50 10 JJGE CC(=NNC(=O)[C@@H](O)c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 254394176 GHDAVXLKMHMGEI-NRFANRHFSA-N 456.329 4.820 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3C)cc2OCC)cc1 254714994 NKLGDNWQRVTMRE-UHFFFAOYSA-N 476.529 4.541 50 10 JJGE CC(=NNC(=O)c1cc2c(s1)C[C@H](C)CC2)c1cccc(NS(=O)(=O)c2ccccc2)c1 254790306 BTSKPFXSPASMKW-MRXNPFEDSA-N 467.616 4.828 50 10 JJGE C[C@H](Cl)[C@H]1CCCCN1C(=O)c1cc(Br)ccc1I 688775346 DKSWVDLBRRRWKO-TVQRCGJNSA-N 456.549 4.676 50 10 JJGE Cc1c(CC(CBr)(CBr)c2cccc(Br)c2)cnn1C 689471014 WQEZSHBQAJHUMT-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE BrCc1ccc(N2CC[C@]3(CN(Cc4ccccc4)CCO3)C2)c(Br)c1 717594454 QMVOAZWRTKTKHR-NRFANRHFSA-N 480.244 4.825 50 10 JJGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3nn(C)cc3Br)c2O1 720043091 NANAEURWOMYUDN-JMCQJSRRSA-N 464.983 4.753 50 10 JJGE O=C(NNC(=O)c1cccc2cccnc12)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 729616298 JEXBHKGDMNVXNA-IBGZPJMESA-N 461.522 4.519 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccccc2Br)c(-c2ccccc2)n1 761379794 BBBOYMGMVQTWEK-QGOAFFKASA-N 489.329 4.559 50 10 JJGE O=C(Cn1nnc2ccccc21)NN=Cc1cc(Br)ccc1OCc1ccccc1Cl 1084117667 FEIFHVSALGOVEL-UHFFFAOYSA-N 498.768 4.577 50 10 JJGE CCOc1ccc(C(C)=NNC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 1084217391 SWLQJGOSJGKUAR-UHFFFAOYSA-N 470.617 4.557 50 10 JJGE O=C(CCCCl)Nc1nc2c(Br)cc(I)cc2s1 1615890211 FZTGVQJFWSEDBN-UHFFFAOYSA-N 459.534 4.621 50 10 JJGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)Nc1cccc(C(F)(F)F)c1 1858682093 ZRFPGLIMHUWZCK-UHFFFAOYSA-N 494.357 4.776 50 10 JJGE Cc1ccc(O)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)c1 1865687744 ZHKNPVLDRXJCJS-HSZRJFAPSA-N 452.489 4.970 50 10 JJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1 1865709012 LKIVQCSZPSYZSY-KRWDZBQOSA-N 488.853 4.608 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OCc2ccc(C)cc2)c1 1873794680 UWDFLUVKALUTSE-RPRPLSGUSA-N 453.583 4.964 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)Cc1cccc(OCc2ccccc2)c1 1886870956 HYTIIQCEFQCSDM-IBGZPJMESA-N 450.332 4.868 50 10 JJGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@@H]1C[C@H]1Br 1887726333 YUUKOTMLKPZOHO-BIIVOSGPSA-N 457.512 4.863 50 10 JJGE O=C(c1scc(Br)c1Br)N1[C@H]2CC[C@@H](C2)[C@H]1CBr 2058371035 VTJRAJTXWHELNE-ACLDMZEESA-N 458.013 4.661 50 10 JJGE C[C@H]1C[C@H](Cl)[C@H](C)CN1C(=O)c1cc(Br)ccc1I 2093101653 NQSNMKSETJFQBR-PTRXPTGYSA-N 456.549 4.532 50 10 JJGE CCN1CCC[C@H]([C@@H](Br)c2csc(Br)c2Br)S1(=O)=O 2093944453 KJFLFNRIBMVERZ-BDAKNGLRSA-N 496.084 4.523 50 10 JJGE Cc1c(Br)sc([C@@H](Br)[C@H]2CCn3ncnc3C2)c1Br 2108969164 LXNSIYXEHXSQQV-XVKPBYJWSA-N 470.028 4.872 50 10 JJGE Cn1nc([C@@H](Br)c2cc(I)cc3c2OCC3)c(Cl)c1Cl 2150720058 IQJZKUJRUMRTHN-VIFPVBQESA-N 487.950 4.751 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N(C)C[C@@H](Br)C(C)C)cc1Br 2167645321 YJZGLIBSBODDCY-GFCCVEGCSA-N 492.071 4.560 50 10 JJGE C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(CBr)cc2Cl)CN1Cc1ccccc1 2179791080 MKRHOFUFDGTJPE-CRAIPNDOSA-N 471.848 4.518 50 10 JJGE C[C@@H](c1cc(Br)cs1)N(C)S(=O)(=O)c1ccc(CBr)s1 2186574111 TUJHJUIJQYDTRX-QMMMGPOBSA-N 459.250 4.849 50 10 JJGE C[C@@H](Br)CCCc1cn(Cc2c(Br)cccc2Br)nn1 2189281448 CSPBUPMXDLYKMS-SNVBAGLBSA-N 466.015 4.958 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCc2ccc(Cl)cc2Cl)C1 2212515520 BLANFZJUIFEBFF-KBPBESRZSA-N 472.150 4.933 50 10 JJGE CN(C(=O)c1cc(Br)cc(Br)c1)[C@@H](CBr)CC1CC1 2226159285 FJIQRMRAOVXMLM-CYBMUJFWSA-N 454.000 4.847 50 10 JJGE CN(C(=O)Cc1cc(Br)cc(Br)c1)[C@@H](CCBr)C(F)F 2295312854 BPLLWKLJBMAIRZ-NSHDSACASA-N 477.969 4.631 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCc2cccc(C3CCC3)c2)C1 2320668273 BXCFMUKBZHQMIQ-ZWKOTPCHSA-N 457.352 4.894 50 10 JJGE CC(C)Oc1ccc(C=NNC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cc1Cl 2323652486 SGGCFWRXIJKIIM-UHFFFAOYSA-N 458.345 4.755 50 10 JJGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3cccc(OCc4ccc(F)cc4)c3)nc2c1 2331045413 NGHRZOHOMUUKJZ-UHFFFAOYSA-N 455.445 4.904 50 10 JJGE Cn1nc(Br)c(Br)c1[C@H](Br)Cc1cccc(F)c1F 2338690176 DLAAURLFWVOOFQ-SSDOTTSWSA-N 458.926 4.902 50 10 JJGE C[C@@H]1Cc2cc([C@@H](Br)c3c(Br)c(Br)nn3C)ccc2O1 2364064774 VRPHSUFGVFATTN-RDDDGLTNSA-N 464.983 4.753 50 10 JJGE COCc1ccc([C@@H](Br)c2cc(I)cc3c2OCC3)s1 2368078926 FPVSMMKTLAVEIA-AWEZNQCLSA-N 465.150 4.918 50 10 JJGE O=C(NNC(=O)c1ccccc1OCCc1ccccc1)c1ccc(OCc2ccccc2)cc1 10509399 ISAVPAXQLBOONZ-UHFFFAOYSA-N 466.537 4.962 50 10 JJGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(\C#N)C(=O)NCCc2ccccc2)cc1 16739713 JCLWGOJGSISLEN-NJEMLTPYSA-N 485.584 4.919 50 10 JJGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 39858584 AJMGSYIXCFISQO-HKWRFOASSA-N 480.524 4.966 50 10 JJGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813008 WKMQYPSMDRLLDP-MMJNIYDCSA-N 472.501 4.558 50 10 JJGE O=C(NNS(=O)(=O)c1ccc(-c2ncc(-c3ccccc3)o2)cc1)c1ccc(Cl)cc1Cl 47162859 JEODXKXRVXVRIB-UHFFFAOYSA-N 488.352 4.939 50 10 JJGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1 59157179 VUICWNVBXFLJBL-UHFFFAOYSA-N 492.373 4.626 50 10 JJGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(CC)cc1 101241461 FKCQUBXGQIPYPQ-YWDBVWQESA-N 451.979 4.631 50 10 JJGE CCCCCCCOc1ccc(/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 101341427 NSHXHTAJUPWPHX-HAVVHWLPSA-N 496.604 4.980 50 10 JJGE O=S(=O)(c1cc(Br)ccc1Br)N(CCCl)C1CCCCC1 109642922 YAEVWJDIHDSMNA-UHFFFAOYSA-N 459.631 4.774 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)c(OC)c1 205647051 LIYBVBUYQQLBJH-SZOICLBVSA-N 454.482 4.541 50 10 JJGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(C(C)C)cc2)c(OC)c1 207138495 GMLSOZWUFYUUBL-STZFKDTASA-N 450.535 4.626 50 10 JJGE COc1ccc(C=NNC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1I 252633925 WILNTHOEHLWOFN-FQEVSTJZSA-N 496.348 4.756 50 10 JJGE CCOc1ccc(-n2c(SCC(=O)NN=C(C)c3ccccc3O)nnc2-c2ccccc2)cc1 254498372 BCIGDVVGAPZVHS-UHFFFAOYSA-N 487.585 4.671 50 10 JJGE CC(=NNC(=O)CN(c1ccc2c3c(cccc13)CC2)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 254521024 DNLHJXBSQPMFJK-UHFFFAOYSA-N 477.630 4.542 50 10 JJGE O=C(N[C@@H]1CCC[C@H](CCl)C1)c1cc(I)ccc1Br 311375950 VYVBBXRYURMXPK-GXSJLCMTSA-N 456.549 4.581 50 10 JJGE CN(CCn1c(CCl)nc2cc(I)c(F)cc21)Cc1ccccc1 386809337 DFEIKYRQRYJNTB-UHFFFAOYSA-N 457.718 4.651 50 10 JJGE O=C(c1scc(Br)c1Br)N1CCSC[C@H]1CCBr 689250609 KVSBJDLZJGDSTA-SSDOTTSWSA-N 478.069 4.616 50 10 JJGE C[C@@H](Br)CN(C1CC1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 691363906 DFGHRJMSIHOWKP-SSDOTTSWSA-N 466.022 4.692 50 10 JJGE C[C@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@]1(C)CBr 694662547 APGUKEYDZUFIGX-MADCSZMMSA-N 460.029 4.766 50 10 JJGE C[C@@H]1CCN(C(=O)c2ccc(Br)cc2Br)C[C@H]1CBr 700432599 PYKDSKZPVZORNE-NXEZZACHSA-N 454.000 4.705 50 10 JJGE O=C(NCc1cccc(CCl)c1)c1ccc(I)c(Br)c1 721570756 AXPYCCAVZYCPRN-UHFFFAOYSA-N 464.528 4.723 50 10 JJGE O=C(NCc1ccccn1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237662 LISXUKDGFIGNOY-IBGZPJMESA-N 467.900 4.791 50 10 JJGE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1 1639384070 MQAOZNFSCOIJIF-IBGZPJMESA-N 458.946 4.542 50 10 JJGE C=CC[C@@H](C(=O)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1ccccc1 1650686456 UMDYNWFUHYWFIB-OAQYLSRUSA-N 456.571 4.976 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1O 1865682605 SKRSENIQNLISDT-QGZVFWFLSA-N 494.832 4.675 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)c1O 1865684745 XFRXTTPVPMMHLS-MRXNPFEDSA-N 476.842 4.536 50 10 JJGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1c(OC)ccc2ccccc12 1865688332 PMJHFOCDIFNKEE-HSZRJFAPSA-N 452.514 4.959 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865703953 JKMZMSCVMIILMQ-QHCPKHFHSA-N 496.498 4.662 50 10 JJGE COc1cccc(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)c1 1865759925 YVKFQLWIYYKCFH-IZZDOVSWSA-N 456.329 4.847 50 10 JJGE CC[C@H](N)Cc1cc(Br)cc(Br)c1OC[C@H]1C[C@@H]1Br 1887907978 LRDKJOKBWLUMMU-USWWRNFRSA-N 456.016 4.654 50 10 JJGE Brc1csc([C@H]2CC[C@H](CI)O2)c1Br 1930750833 YVKWXTRKJAXOAQ-IYSWYEEDSA-N 451.949 4.928 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CN(C(=O)OC(C)(C)C)C2(CCCC2)C1 2010826291 ZNQXCVRIYILATP-QGZVFWFLSA-N 475.721 4.804 50 10 JJGE O=S(=O)(c1ccc(CCl)cc1Br)N(Cc1ccccc1)CC(F)(F)F 2034735869 VOURWKVSZUDZEF-UHFFFAOYSA-N 456.711 4.941 50 10 JJGE CC(C)C[C@@H](CBr)CNC(=O)c1cccc(Br)c1Br 2120738355 UXJJVLSYXIPCFI-JTQLQIEISA-N 456.016 4.999 50 10 JJGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)C[C@H]2CCCO2)c1C 2179861335 FYBHASGKWCAAOI-HXUWFJFHSA-N 452.414 4.568 50 10 JJGE C[C@H]1[C@@H](NCCSSCCNC(=O)OC(C)(C)C)C[C@@H](C)CN1C(=O)OC(C)(C)C 2211277187 CSURYDVPJVIHEM-IKGGRYGDSA-N 463.710 4.516 50 10 JJGE O=S1(=O)CCC([C@@H](Br)c2cc(Br)c(Br)cc2F)CC1 2225615626 JSHFOETYQMBGFK-GFCCVEGCSA-N 479.003 4.612 50 10 JJGE O=C(N[C@@H]1CCCCC[C@H]1Br)c1ccc(Cl)c(I)c1 2268351933 XUCLXHKFFUJPKX-ZWNOBZJWSA-N 456.549 4.771 50 10 JJGE CCCCN(CCBr)C(=O)Cc1cc(Br)cc(Br)c1 2277937125 SOINGWXAXNYHIS-UHFFFAOYSA-N 456.016 4.778 50 10 JJGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1 2296834983 JBQYEPRZZRBGLB-XMMPIXPASA-N 471.557 4.611 50 10 JJGE N#CC(=CNc1ccc(I)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 2324412691 OUUOQJZXQLYMDW-UHFFFAOYSA-N 457.193 4.768 50 10 JJGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1c(Br)cccc1Br 2330900405 IBIHKJPAWVHWNC-MMSPYSMKSA-N 451.984 4.503 50 10 JJGE COc1ccc(OC)c(CC(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)c1 2331411982 YUOFUUBASDFXPL-UHFFFAOYSA-N 468.531 4.888 50 10 JJGE O=C(COc1ccc(Cl)cc1Cl)N[C@H](CCBr)COCc1ccccc1 2343652020 WWDIXWUDZDHDAY-MRXNPFEDSA-N 461.183 4.859 50 10 JJGE COC(=O)[C@H](Br)C1(OCc2cc(Br)cc(Br)c2)CCC1 2362205822 JDCUUPUKEVLXRM-LBPRGKRZSA-N 470.983 4.587 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)Cc2cccc3ccccc23)cc1 14025626 PUAAOIUNOUMWAP-UHFFFAOYSA-N 463.603 4.677 50 10 JJGE N#C/C(C(N)=O)=C1\S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1 16758867 OUFVOXJZNMNXNY-NISQSXRWSA-N 497.201 4.667 50 10 JJGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NC2CCCCC2)c1C 33887751 KZMXMZHAYKMLFB-HKWRFOASSA-N 456.546 4.768 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@@H]1c1c(F)cccc1Cl 38680207 IVXMGBPKNHOUGC-QFIPXVFZSA-N 450.853 4.682 50 10 JJGE COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3cc(C)cc(C)c3)nc3c(C)cccn3c2=O)c1 39858785 CWUPKSVYIYQCBY-ZHZULCJRSA-N 480.524 4.966 50 10 JJGE COc1ccccc1NC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2C)nc2ccccn2c1=O 39993132 RBVSDFOBMLYSHL-XDJHFCHBSA-N 466.497 4.658 50 10 JJGE ClCCc1nc2cc(Br)cnc2n1-c1cccc(I)c1 98039896 NUMCIXQYLDHIHU-UHFFFAOYSA-N 462.516 4.569 50 10 JJGE Cc1cc2nc3c(nc2cc1C)[C@@]1(C(=O)NNC(=O)c2ccc(Cl)cc2)CC[C@@]3(C)C1(C)C 100945727 GONWPVICNLSKMM-CLJLJLNGSA-N 462.981 4.690 50 10 JJGE O=C1C(N(CCCl)Cc2ccccc2)=C/C(=N/S(=O)(=O)c2ccccc2)c2ccccc21 100999443 KXTVCUOGIMURDR-VYIQYICTSA-N 464.974 4.686 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CCC[C@@H]1CCCBr 161199854 LHFCLAPQDAMRFN-NSHDSACASA-N 454.000 4.991 50 10 JJGE CCCOc1ccccc1/C=C(/C#N)C(=O)Oc1ccc(/C=C(\C#N)C(=O)OCC)cc1OCC 206989518 DNCKOXLOIFFJHS-AOOUSOOLSA-N 474.513 4.857 50 10 JJGE N#C/C(=C/Nc1ccc(N)c(Cl)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216494007 MVQQVZQAFWECTO-QOCHGBHMSA-N 471.992 4.675 50 10 JJGE O=C(N[C@@H]1CCCC[C@H]1CBr)c1cc(Br)c(Br)s1 231612115 FOVUOMQAWALYEU-IONNQARKSA-N 460.029 4.957 50 10 JJGE CCOc1ccc2cc(C(=O)O/N=C3\C[C@H]4CC[C@@]3(C)[C@]4(C)CBr)c(=O)oc2c1 256019794 FELNQJCIUVFERC-DVPDJWGNSA-N 462.340 4.926 50 10 JJGE Fc1cc2c(cc1I)nc(CCCl)n2-c1cnn(Cc2ccccc2)c1 389704430 LYOJLYSXQLSHPA-UHFFFAOYSA-N 480.712 4.795 50 10 JJGE O=C(NC1(CCCl)CCCC1)c1cc(Br)ccc1I 687329792 FEWPUDWMRNBSKX-UHFFFAOYSA-N 456.549 4.725 50 10 JJGE CN(C(=O)c1ccc(I)c(Br)c1)C(C)(C)CCBr 721511189 SFVIKMCJNZDYDV-UHFFFAOYSA-N 488.989 4.689 50 10 JJGE C=CCOc1c(CC=C)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OCC 1084304926 SJGQUJLCKBISDT-XMMPIXPASA-N 466.578 4.741 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1865680599 PTDTWCHAJIMMTM-OAQYLSRUSA-N 456.889 4.822 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1865680821 WQHGEYZIGDRGQP-INIZCTEOSA-N 497.260 4.886 50 10 JJGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1OC 1865711488 ZRGZGMLLMODXHA-RUZDIDTESA-N 494.551 4.842 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cccc(OC)c1)C(C#N)=C(N)O2 1865712408 XRXRMSJBYUHOQS-NRFANRHFSA-N 452.917 4.903 50 10 JJGE CCOC(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(Br)cc3)sc2c1 1866129098 BQECOIOKKZHIAD-NTEUORMPSA-N 456.321 4.781 50 10 JJGE O=C(NCC[C@H]1CCC[C@@H]1Br)c1cc(Cl)ccc1I 1913720887 JBJVDVXECJGHDH-SKDRFNHKSA-N 456.549 4.628 50 10 JJGE O=S(=O)(c1cscc1Br)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915175894 DTVPACHZQCMEEF-OAHLLOKOSA-N 479.259 4.875 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H](Br)CC2(CC2)C1 1926031277 VLJBZMNDZYNIFP-GFCCVEGCSA-N 451.984 4.601 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2C[C@H](C[C@H]2Br)C1 2045146049 BPJWURUEVFDPKB-GJMOJQLCSA-N 458.013 4.519 50 10 JJGE O=C(N[C@H]1CC[C@@H](CCl)CC1)c1ccc(I)c(Br)c1 2118507560 QOHNLYGSSIVEJC-JGZJWPJOSA-N 456.549 4.581 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1[C@H](CBr)[C@H]2CC[C@@H]1C2 2122174155 SGRNZHZISQPWFR-IYYTYJHQSA-N 451.984 4.600 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1CN(CC2(CBr)CCCC2)CC[C@H]1C(F)(F)F 2163059774 WHQSIMKAYRDWSP-LSDHHAIUSA-N 457.375 4.967 50 10 JJGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@@H]1C[C@H](CCl)C2 2184584541 ZAGGLBYJLPVEKQ-YHPBZONMSA-N 468.560 4.676 50 10 JJGE FC(F)(F)[C@H]1CN(Cc2ccc(I)c(Cl)c2)C[C@@H]1CBr 2208029996 OXMJWPCYEPLWJG-UWVGGRQHSA-N 482.509 4.950 50 10 JJGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(Br)c1 2212707302 FCXHTLGXCPSTIX-GFCCVEGCSA-N 465.182 4.563 50 10 JJGE C[C@H](Br)CN(C(=O)c1ccc(Br)cc1Br)C1CCC1 2272451623 KAUDVWXZVGTBEA-VIFPVBQESA-N 454.000 4.990 50 10 JJGE CC1(C)C[C@@H](Br)CN1C(=O)Cc1cc(Br)cc(Br)c1 2277923371 FNBSPDFWZMZLFZ-GFCCVEGCSA-N 454.000 4.529 50 10 JJGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)NCCC)cc2OC)cc1 2293202133 GZSXTEVBQGCQJM-UHFFFAOYSA-N 487.556 4.820 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H](Br)C2(CCC2)C1 2295310614 ZFIMIVHRXILLAL-ZDUSSCGKSA-N 466.011 4.530 50 10 JJGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccccc2)c(C)c1 2296723195 XRESAWSCRMGBMZ-UHFFFAOYSA-N 471.538 4.750 50 10 JJGE CCOC(=O)c1ccc(N2N=C(C(F)(F)F)C(=Cc3ccc(N(C)CCCl)cc3)C2=O)cc1 2297578003 SZBWEDUATZANLC-UHFFFAOYSA-N 479.886 4.887 50 10 JJGE O=C(C=Cc1cccc2ccccc12)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 2313616890 LTPIXQUUXTXXIN-UHFFFAOYSA-N 465.578 4.707 50 10 JJGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592140 MMBSOQGWJHFMEF-HSZRJFAPSA-N 473.529 4.899 50 10 JJGE CC(C)(CI)CN1CC[C@H](C(F)(F)F)C[C@@H]1CNC(=O)OC(C)(C)C 2326670326 UKDDVGJVDWIXQR-QWHCGFSZSA-N 478.337 4.615 50 10 JJGE CCOc1cc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCc1ccccc1C 2328829481 NZNXBSRMRVBCDZ-QFIPXVFZSA-N 481.593 4.822 50 10 JJGE ClC[C@]12CCC[C@H](CN(c3ncc(I)cc3Br)C1)C2 2332621341 WQLFNCHUUIHIGX-IINYFYTJSA-N 455.565 4.684 50 10 JJGE ClC[C@H]1C[C@@H]2CCCC[C@@H]2N1c1ncc(I)cc1Br 2333971433 WROMBGQCAAZKSE-NDMJEZRESA-N 455.565 4.825 50 10 JJGE COc1ccc(SCC(=O)NN=Cc2cn(Cc3ccccc3C#N)c3ccccc23)cc1 856713 AZBHBHYHBCZJIX-UHFFFAOYSA-N 454.555 4.812 50 10 JJGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NN=Cc2ccc(C(C)(C)C)cc2)c1 3314476 IZWDIYNVNWCYMU-UHFFFAOYSA-N 465.575 4.557 50 10 JJGE Cc1cccc(Cl)c1OCc1ccc(/C=N/NC(=O)c2cccc(N3CCCC3=O)c2)o1 9695069 JBBRVMINNVNPSB-VULFUBBASA-N 451.910 4.711 50 10 JJGE O=C(NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1)c1ccc(-c2ccccc2)cc1 10333905 ADDXZPKSJROWPO-UHFFFAOYSA-N 495.604 4.924 50 10 JJGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(-c3ccccc3)cc2)c1 14644873 MLLDFRFWSGZWJE-UHFFFAOYSA-N 461.587 4.728 50 10 JJGE CC(C)(C)c1ccccc1OCC(=O)NNC(=O)COc1ccc2ccccc2c1Br 14666751 HLVDNRCKQCRHNU-UHFFFAOYSA-N 485.378 4.505 50 10 JJGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OC)cc1 38650079 YIGWXASPWMPTKH-QLXKLKPCSA-N 470.525 4.849 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)c(OC)c1 38657095 YFIASHPOFNZOQP-MHZLTWQESA-N 486.524 4.523 50 10 JJGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2)cc1 40527356 RIXCSWPNXROHAR-RUZDIDTESA-N 454.482 4.697 50 10 JJGE Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c1C 96476355 XJJZNCATEWQCAF-HMAPJEAMSA-N 466.541 4.848 50 10 JJGE Cc1cccc(N2CCN(/C=C(/C#N)C(=O)NC(c3ccccc3)c3ccccc3)CC2)c1C 216979103 BLJPENPOVWCHEI-QLYXXIJNSA-N 450.586 4.739 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)NCCCCCCBr)cc1Br 235784011 MBJWYICXJDHTLM-UHFFFAOYSA-N 492.071 4.754 50 10 JJGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(C(C)(C)C)cc2)cc1 252640970 YYOXMXQUBPZFQP-ILLURHSLSA-N 468.601 4.971 50 10 JJGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 254287937 IBYZQYUWFRNYGA-UHFFFAOYSA-N 457.559 4.575 50 10 JJGE O=C(NC[C@H]1CCCC[C@@H]1Cl)c1ccc(I)c(Br)c1 721623836 VJBPOOFTJAIQSO-PWSUYJOCSA-N 456.549 4.581 50 10 JJGE Cc1ccc(C)c(-n2c(C)cc(C=NNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c1 725432074 JOQORTHQSYRIPV-UHFFFAOYSA-N 456.468 4.819 50 10 JJGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1O 1083903990 SMJICDUGPDBGIH-UHFFFAOYSA-N 455.514 4.939 50 10 JJGE Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1C=NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 1083904767 SFSOPMDRXPINDT-CQSZACIVSA-N 476.320 4.622 50 10 JJGE Cc1cccc(Cl)c1OCc1ccc(C=NNC(=O)CSc2nc3ccccc3n2C)o1 1083921030 YWROEHQYZPOCHA-UHFFFAOYSA-N 468.966 4.950 50 10 JJGE CC1=C(C(=O)NN=Cc2ccc(Cl)cc2Cl)[C@H](c2ccc(Br)cc2)NC(=S)N1 1084031256 AYVJFGHCAZYPNL-KRWDZBQOSA-N 498.233 4.699 50 10 JJGE O=C(COc1ccc(C=NNC(=O)C(c2ccccc2)c2ccccc2)cc1)NCCc1ccccc1 1084267774 GAXRXGNAKGKRKB-UHFFFAOYSA-N 491.591 4.707 50 10 JJGE O=C(NNC(=O)c1ccc(Br)cc1)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 1116005722 OKIBZARHJMJXBA-JOCHJYFZSA-N 480.362 4.508 50 10 JJGE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 1564675937 YMAFNBKJDXJHJK-RXVVDRJESA-N 459.999 4.558 50 10 JJGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865684422 QDSWVJYBJXHOFS-HSZRJFAPSA-N 450.498 4.780 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)cc(Br)c1OC(C)C 1865698017 IEBNVKCZJBVPGK-LJQANCHMSA-N 495.377 4.864 50 10 JJGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)/C=C/c1cccc(OC(C)C)c1 1865757378 ZXZPPUKOLBDZKQ-KPKJPENVSA-N 451.473 4.597 50 10 JJGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CC1CC(Br)C1 1883555788 DJZSUTDAJVPNMM-KLAILNCOSA-N 471.395 4.546 50 10 JJGE O=C(NC[C@@H]1CCCC2(CCC2)[C@H]1Br)c1sccc1I 1924844946 NYSOUQSAQRACBQ-GWCFXTLKSA-N 468.198 4.816 50 10 JJGE FC(F)(F)c1ccc(I)c(CBr)c1I 2060238784 RCYLMKRTJDNSJP-UHFFFAOYSA-N 490.826 4.810 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCCN(C(=O)OC(C)(C)C)CCC1(F)F 2076316962 MRSQWRFUUWRINK-INIZCTEOSA-N 499.690 4.907 50 10 JJGE Clc1cc2c(cc1[C@@H](Br)c1cc(I)sn1)OCCO2 2120031379 ISNKQSQNSLCLTJ-GFCCVEGCSA-N 472.529 4.657 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CC[C@@H]2C[C@@H](Cl)CC[C@H]21 2143979063 VDPQWJLVERDAEZ-OLUVUFQESA-N 468.560 4.676 50 10 JJGE Cc1ncn(C)c1CC(CBr)(CBr)c1ccc(Br)cc1 2188543129 NQBKSMMNZRYIEF-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE CCC[C@@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@H]1CCl 2205694707 BNBYBVVFCADCQW-GHMZBOCLSA-N 470.576 4.781 50 10 JJGE Cc1c(Br)ccc([C@@H](Cl)c2nn(C)nc2Br)c1Br 2219798182 KBHQIDQQVDIJRI-SECBINFHSA-N 458.379 4.739 50 10 JJGE O=C(c1scc(Br)c1Br)N1[C@H]2CC[C@@H](Br)[C@H]1CC2 2222299132 CVQXVARRQMCQAN-LKEWCRSYSA-N 458.013 4.804 50 10 JJGE C=CC[C@](C)(CBr)CNC(=O)c1ccc(Cl)c(I)c1 2268353845 UTBLFZAJVJZGKX-CQSZACIVSA-N 456.549 4.652 50 10 JJGE Cc1sc(-n2c(C)cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)c(C#N)c1C 2295176493 ZMLSYMQMGLPXFI-UHFFFAOYSA-N 469.614 4.900 50 10 JJGE CN(C(=O)Cc1cc(Br)cc(Br)c1)[C@@H]1CCCC[C@H]1Br 2295307963 RAQQERUBLDIMAN-ZIAGYGMSSA-N 468.027 4.919 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H](CBr)CC(F)(F)F 2295309319 HYLWHNGUZNUHAL-SNVBAGLBSA-N 481.932 4.586 50 10 JJGE O=C(c1csc(Br)c1Br)N1CC[C@H]2C[C@]1(CBr)C2 2314971311 DYDBVRZHYSIXPU-OGXFKERWSA-N 458.013 4.663 50 10 JJGE Cc1cc(I)ccc1NC=C(C#N)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 2318462309 GJTSLIPWAGUXSE-UHFFFAOYSA-N 482.665 4.619 50 10 JJGE C[C@@H](Br)[C@H](NCc1ccc(Cl)cc1I)C(F)(F)F 2318524413 NPLWRQATHURLHG-LDWIPMOCSA-N 456.471 4.749 50 10 JJGE CC[C@]1(C)[C@H](Br)CCN1C(=O)c1ccc(I)c(Cl)c1 2336765360 WRSWPFQOVRSFKV-TZMCWYRMSA-N 456.549 4.723 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CCC[C@@H](CCBr)C1 2340054427 MSONJTVEWCHQRF-JTQLQIEISA-N 456.549 4.582 50 10 JJGE O=C(N[C@H]1CCC[C@H]1CCBr)c1ccc(Cl)cc1I 2340061498 OMXPMPRPZXPANJ-ZANVPECISA-N 456.549 4.628 50 10 JJGE CC(C)[C@H]1C[C@@H](Cl)CN1C(=O)c1ccc(Br)cc1I 2344590554 DNWWDFINZWEBDK-ZWNOBZJWSA-N 456.549 4.532 50 10 JJGE CC(C)C[C@@H](CBr)CN=S1(=O)CCC2(CCN2C(=O)OC(C)(C)C)CC1 2353828623 RJEYETKZWQITTI-IXCGVUABSA-N 451.471 4.685 50 10 JJGE CCCOc1ccc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1Br 14647370 SYCNTGIQYNTLNH-UHFFFAOYSA-N 483.362 4.745 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)/C=C/c2ccc(Cl)cc2)c(Br)c1 14833681 MLVALVLPEROVRF-IZZDOVSWSA-N 465.775 4.640 50 10 JJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1 38650613 YHVIXGXKKRNQQX-AREMUKBSSA-N 474.488 4.817 50 10 JJGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)c1 38651495 VFOSLGQIXLZRAZ-XMMPIXPASA-N 491.341 4.960 50 10 JJGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)c1 38684420 LBBHECARYVMDIP-XMMPIXPASA-N 471.469 4.821 50 10 JJGE COc1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1I 59305349 LWYFZZBNBRQNKC-AWQFTUOYSA-N 499.102 4.572 50 10 JJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccc4ccccc4c3)C2=O)cc1OC 209893879 RKDYXYFVLUMXAC-JJIBRWJFSA-N 467.525 4.604 50 10 JJGE O=C(c1ccc(Br)cc1Br)N(CCCBr)C1CCC1 232482319 JJJXLSHZLIDTOS-UHFFFAOYSA-N 454.000 4.991 50 10 JJGE CCn1c(SCC(=O)NN=Cc2cccc(OC)c2)nnc1-c1ccc(C(C)(C)C)cc1 254480601 ZGWWSARDMCQZON-UHFFFAOYSA-N 451.596 4.514 50 10 JJGE O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1C(F)(F)F 254766048 POQWQLVQKDCVOT-UHFFFAOYSA-N 495.910 4.704 50 10 JJGE COc1ccc(C(=O)Oc2cccc(C=NNC(=O)COc3ccc4ccccc4c3)c2)cc1 254873500 GOVRQPJFCXUGET-UHFFFAOYSA-N 454.482 4.597 50 10 JJGE N#Cc1cc(COc2c(Br)cc(Br)cc2CBr)ccn1 394265434 IRURGCSVJRSZMG-UHFFFAOYSA-N 460.951 4.952 50 10 JJGE COc1cc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)ccc1C 394683467 DKNGEEWYGJEEKI-RTBURBONSA-N 465.331 4.791 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2cc(O)ccc2Br)C1 394761808 WYXZWVHNLOTXOU-MFKMUULPSA-N 482.156 4.540 50 10 JJGE COCc1cc(Br)c([C@H](Br)c2cnn(C)c2Br)s1 688092193 WCRYEKXYGCBBNJ-SECBINFHSA-N 459.001 4.637 50 10 JJGE CCO[C@@H](CO[C@](C)(CI)c1ccccc1Br)C1CC1 703478076 HTGUQBGFXGDYNC-JKSUJKDBSA-N 453.158 4.931 50 10 JJGE C[C@H](Br)[C@H]1CCCN(C(=O)c2cc(Br)cc(Br)c2)C1 708341887 WVOAGTOPRKPJHF-UWVGGRQHSA-N 454.000 4.847 50 10 JJGE COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1C 727412225 CEOVZAHPFPCVMM-FUSBAJOXSA-N 495.023 4.847 50 10 JJGE O=C(NN=Cc1ccccc1OCc1ccc(Br)cc1)c1ccc(N2CCCC2=O)cc1 1084558738 RLSCGBKOBAJWOU-UHFFFAOYSA-N 492.373 4.919 50 10 JJGE O=C(NN=C(CNC(=O)c1ccccc1)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 1088687192 AKVGCYWMOJOUMS-UHFFFAOYSA-N 456.424 4.541 50 10 JJGE C=CCCC[C@@H](C(=O)NNC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1)c1ccccc1 1472469595 DWCOVQATFCJPJI-AREMUKBSSA-N 453.542 4.892 50 10 JJGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)Nc1cccc(C(F)(F)F)c1 1858682046 XHIDYQMUBOUVME-UHFFFAOYSA-N 476.367 4.637 50 10 JJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 1865709476 VUGPEBHRPBPDLR-IBGZPJMESA-N 469.328 4.746 50 10 JJGE CS(=O)(=O)Nc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872746614 PVRKIMVVLRJRDF-VLGSPTGOSA-N 476.377 4.894 50 10 JJGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccccc4)cs3)CC2=O)cc1 1872747843 VYGKKPFGVOZMFV-FGLUDEAJSA-N 459.527 4.833 50 10 JJGE COc1cc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCc1ccccc1Cl 1873793229 DPJBTLKSTKYODH-IYAOEYEUSA-N 487.984 4.777 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@H](Br)CC2(CC2)C1 1926030091 NRPRMHHHPQAOPK-SNVBAGLBSA-N 451.984 4.601 50 10 JJGE C[C@H]1CN(S(=O)(=O)c2cc(CCl)sc2Br)[C@@H](C)CN1Cc1ccccc1 2095831740 RQPFZVYJALOFQD-KBPBESRZSA-N 477.877 4.533 50 10 JJGE CC1(C)CC(CBr)(NC(=O)c2cc(Br)cc(Br)c2)C1 2107260901 KPKVEVOKMKXDLD-UHFFFAOYSA-N 454.000 4.895 50 10 JJGE Clc1cc(CN2C[C@H]3[C@H](Br)CCC[C@H]3C2)ccc1I 2142948546 BOQKIQIWSNNNSV-YNEHKIRRSA-N 454.577 4.940 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CCC2(CC1)C[C@H]2CBr 2148909545 KBANTZJHCXNIFR-NSHDSACASA-N 466.011 4.849 50 10 JJGE CCC[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H]1CCl 2205704577 RLWKTFCHTHCPNU-NEPJUHHUSA-N 470.576 4.781 50 10 JJGE CC1(CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)CC2(CC(F)(F)C2)C1 2222927346 TZKJJHZWHSWJDT-STQMWFEESA-N 471.326 4.642 50 10 JJGE Cc1ccc(I)c(-n2c(CCl)nc3cncc(Br)c32)c1 2240627445 TYHMWHPVQBZOGM-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE CCOC(=O)C(C#N)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 2293039225 QNLCERLHROCBNL-GOSISDBHSA-N 475.339 4.578 50 10 JJGE FC(F)(F)[C@@H](Br)COCc1ccc(I)c(Br)c1 2306304785 LAWOPDCMANHKED-VIFPVBQESA-N 487.879 4.896 50 10 JJGE COc1cc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc(Br)c1OC 2318415053 KLCOTKPOHJUZCY-UHFFFAOYSA-N 456.340 4.590 50 10 JJGE CC(C)(CI)CN1C[C@H](CNC(=O)OC(C)(C)C)Cc2ccccc21 2326672016 IRVNWIQPLWRAQT-HNNXBMFYSA-N 458.384 4.651 50 10 JJGE C=CC[C@H](Br)[C@H]1CCN1C(=O)c1cc(Br)ccc1Br 2335810246 LLSJHSOFIMVAQB-QWHCGFSZSA-N 451.984 4.766 50 10 JJGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1 1888881 JBQYEPRZZRBGLB-GUNDDFSMSA-N 471.557 4.611 50 10 JJGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](CC)Oc2ccc(-c3ccccc3)cc2)cc1 14768644 QWFXGNATSPVEQE-XMMPIXPASA-N 459.546 4.711 50 10 JJGE O=C(NNC(=O)c1ccccc1Br)c1ccc(COc2ccc(Cl)cc2)cc1 15896821 UFXPEUGNGLXXCY-UHFFFAOYSA-N 459.727 4.756 50 10 JJGE COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1C 20295792 SUBMLFWGFYXARE-RWPZCVJISA-N 499.479 4.754 50 10 JJGE CCOC(=O)c1c(NC(=O)N/N=C/c2cccc(Br)c2)sc2c1CC[C@H](C)C2 40851466 NCOVMKCJSDKLDL-JHAVZTMOSA-N 464.385 4.968 50 10 JJGE COc1cc(/C=C(/C#N)c2nc(CSc3nc4cc([N+](=O)[O-])ccc4[nH]3)cs2)ccc1O 50575018 YYQJMMFTXQOYAI-MLPAPPSSSA-N 465.516 4.998 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)cc1 58894760 BTGHXXDFDOWIGY-VNAAUWNKSA-N 465.506 4.834 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCCC)c(OC)c2)c(OC)c1 207106743 OVHJATYWWYZAMQ-WEVGQJCESA-N 492.572 4.935 50 10 JJGE CN([C@@H]1CCCC[C@H]1Br)S(=O)(=O)c1cc(Br)ccc1Br 252925460 MQYHIVRKHFGDDC-ZYHUDNBSSA-N 490.055 4.538 50 10 JJGE O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 254387146 PSOSHJFUCBFQRG-UHFFFAOYSA-N 488.416 4.690 50 10 JJGE BrCC(CBr)(Cc1cnns1)c1ccc(Br)cc1 380931583 HZLQTVUUZFYYBP-UHFFFAOYSA-N 455.013 4.571 50 10 JJGE CNc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1 382723937 PAHSBERNBMRVTE-HKUYNNGSSA-N 450.320 4.516 50 10 JJGE COc1ccc(CCNC(=O)Nc2ccc(C(=O)Nc3ccc(SC#N)cc3)cc2)cc1OC 586615701 JRVMKOZAGVNYMN-UHFFFAOYSA-N 476.558 4.893 50 10 JJGE C[C@H]1CCCN(C(=O)c2ccc(I)c(Cl)c2)[C@@H]1CBr 688677686 CLKPORGLPWDLRS-TVQRCGJNSA-N 456.549 4.580 50 10 JJGE C[C@H]1C[C@@H](CBr)CN(C(=O)c2scc(Br)c2Br)C1 705463446 JFEDSZNXDIJSNU-YUMQZZPRSA-N 460.029 4.766 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N(CCCl)C1CCCC1 721614950 BPPAWWMDFBGSLC-UHFFFAOYSA-N 456.549 4.677 50 10 JJGE COC(=O)C[C@@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C)c1cccs1 819808374 BONBRLQGJAQSDH-MUPHDSPYSA-N 451.523 4.622 50 10 JJGE CCCn1nc(C(=O)NN=Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c2ccccc2c1=O 918710056 DXSKTCGWEOPPCS-UHFFFAOYSA-N 485.491 4.713 50 10 JJGE C#CCOc1c(Cl)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OC 1083898365 WFISLCGHPYHQJO-UHFFFAOYSA-N 461.699 4.633 50 10 JJGE CCN(CC)c1c(C=NNC(=O)c2ccc(Br)cc2)c(C)nn1-c1ccccc1 1084216017 KHEGASMWJOLHPR-UHFFFAOYSA-N 454.372 4.553 50 10 JJGE COC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)Cc3cccc(C(F)(F)F)c3)c2C)c(C)c1 1084221593 IDSWQWFZRJTZLX-UHFFFAOYSA-N 471.479 4.901 50 10 JJGE C#C[C@H](NC(=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccc(F)cc1 1624784318 GXOHQMNTDNPWEZ-SANMLTNESA-N 459.637 4.583 50 10 JJGE CC(=O)CCc1ccc(OCC(=O)NNc2cc(C(F)(F)F)ccc2Br)cc1 1630075110 ZQKJLEDGZTUXLS-UHFFFAOYSA-N 459.262 4.512 50 10 JJGE CC(=O)N(c1ccc(NC(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1)[C@H]1C[C@@H]1C 1677827430 KZHNYKWEXNYTQS-SJCJKPOMSA-N 456.955 4.783 50 10 JJGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1Cl 1858682169 DWQQVDMBDBIFLV-UHFFFAOYSA-N 477.260 4.925 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)ccc1O 1865681553 QIBNDEHFKOQRRO-QGZVFWFLSA-N 476.842 4.867 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682227 JDQVLNFASOSFRR-XMMPIXPASA-N 498.514 4.678 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1O 1865682774 XHNNOFPFQSNUHL-HSZRJFAPSA-N 468.488 4.670 50 10 JJGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689309 PFDWZBZVDJZQLL-HXUWFJFHSA-N 495.377 4.579 50 10 JJGE COc1ccc(-c2ccc(C(=O)NNC(=O)[C@@H](Cc3ccccc3)c3ccccc3)c(C)n2)cc1 1865757199 RADJSFKHMKLMES-SANMLTNESA-N 465.553 4.853 50 10 JJGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 1872749693 CWEVTHXWXFGSTM-JZJYNLBNSA-N 490.497 4.596 50 10 JJGE Cc1ccnnc1COc1c(Br)cc(Br)cc1CBr 1877784973 QKDQIZUTBBKAPR-UHFFFAOYSA-N 450.956 4.784 50 10 JJGE CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)c1cc(Br)c(Br)o1 1879972821 BMGMLECULGBJHP-UHFFFAOYSA-N 456.131 4.986 50 10 JJGE O=C(c1csc(Br)c1Br)N1CC[C@H](Br)[C@@H]2CC[C@H]21 2069997772 WRFGQGONIPJZHC-CNUIFLNQSA-N 458.013 4.661 50 10 JJGE C[C@@H]1CC[C@](CBr)(NC(=O)c2scc(Br)c2Br)C1 2074198758 DXCNXLTZDKTFDW-KRTXAFLBSA-N 460.029 4.957 50 10 JJGE F[C@@]12CCC[C@@]1(CBr)CN(c1ncc(Br)cc1Br)C2 2120119563 IPQSHUSWSLABSE-CHWSQXEVSA-N 456.979 4.700 50 10 JJGE F[C@@H]1CCO[C@H]1CC(CBr)(CBr)c1ccc(Br)cc1 2122534491 UIFCOURGYKEJSA-OLZOCXBDSA-N 458.991 4.994 50 10 JJGE ClC[C@@H]1CN(c2ncc(I)cc2Br)CCC12CCC2 2133381491 IPGRNFNVSDDZFE-SNVBAGLBSA-N 455.565 4.684 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@H](Br)C2(CCCC2)C1 2174367507 BONMBACXKUOWHB-ZDUSSCGKSA-N 466.011 4.991 50 10 JJGE Cc1cc(S(=O)(=O)N2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@H]2C)sc1CBr 2179821754 NQVMYHWKBBXDON-GVDBMIGSSA-N 471.486 4.623 50 10 JJGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1cc(F)c(Cl)c(CBr)c1 2179864204 YIYIHZDYIFZSFJ-UHFFFAOYSA-N 478.811 4.992 50 10 JJGE CC(C)(C)OC(=O)N1CC[S@](=O)(=NC[C@H](CBr)c2ccccc2)C(C)(C)C1 2189324577 FWNNMANZYRLHHV-CBZJRKILSA-N 459.450 4.662 50 10 JJGE O=C(N[C@H](CBr)[C@@H]1CC=CCC1)c1ccc(I)c(Cl)c1 2196151792 QTNZNQRWVKBJSM-QMTHXVAHSA-N 468.560 4.794 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1ccc(Br)cc1Br 2204561715 GWMUIKWNVOIQQC-JDVFRBCBSA-N 466.011 4.894 50 10 JJGE CCC[C@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@H]1CCl 2207268732 VKPIOJOWTOMSSS-WDEREUQCSA-N 470.576 4.781 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1[C@H]2CC[C@@H](Br)[C@H]1CC2 2229864613 HLOGMUSSILCCDE-YNEHKIRRSA-N 451.984 4.742 50 10 JJGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2c[nH]c3ccccc23)cc1 2296736272 WSGFQNQPVFMIIY-UHFFFAOYSA-N 479.584 4.935 50 10 JJGE CCOc1c(Br)cc(C=C(C#N)c2nc3cc(Br)cnc3[nH]2)cc1OC 2297310595 SROOZENDGBUASV-UHFFFAOYSA-N 478.144 4.954 50 10 JJGE CCOc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(C#N)cc1 2297560767 OVIBCTLEUYZGAA-UHFFFAOYSA-N 463.497 4.915 50 10 JJGE FC[C@]12C[C@]([C@@H](Br)c3sc(Cl)cc3I)(CO1)C2 2300949607 OBTXSCOANPCRJQ-DCAQKATOSA-N 451.526 4.961 50 10 JJGE CC(C)(CI)CN1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 2306809814 NBEDDAPGQMVLOG-UHFFFAOYSA-N 450.405 4.561 50 10 JJGE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314533678 TUVPYVWRQHNUKW-UHFFFAOYSA-N 450.498 4.903 50 10 JJGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)NCc2ccco2)cc1C 2314593585 POTJOOSXTRVWAP-QHCPKHFHSA-N 475.545 4.778 50 10 JJGE BrC[C@@]12CC[C@H]1CN(Cc1ccc(I)c(Br)c1)C2 2325232609 DAFXVALHOGPLIB-SMDDNHRTSA-N 485.001 4.661 50 10 JJGE CCC(CC)(CBr)CNC(=O)c1ccc(Cl)cc1I 2340057509 MYJFCMQTJFQYDO-UHFFFAOYSA-N 458.565 4.876 50 10 JJGE CC(C)CN(C[C@@H](C)Br)C(=O)c1ccc(Cl)cc1I 2340059491 VZVAMTJHQPQGNR-SNVBAGLBSA-N 458.565 4.826 50 10 JJGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)NCCc3ccccc3)N(c3ccccc3)C2=O)cc1 2330032 ILRBIPQEMQORIO-CHTIKVTKSA-N 467.594 4.780 50 10 JJGE C[S@@](=O)(=N/C=C(/C#N)C(=O)c1cccs1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 12367253 FZYINULLECZLGY-VSOAMYCRSA-N 454.489 4.591 50 10 JJGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 14652847 RJFFNMKXRWFKPU-HNNXBMFYSA-N 471.351 4.620 50 10 JJGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCC)c(OCC)c2)c(OC)c1 206510334 UXXQVPJMEDRGNX-VWDAIKGWSA-N 478.545 4.545 50 10 JJGE O=C(NN=Cc1ccccc1O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 254308960 ONPCNXFBWQOYCQ-UHFFFAOYSA-N 485.565 4.552 50 10 JJGE CCCCn1c2ccccc2n2c(C(=O)NN=C3C(=O)N(C)c4ccccc43)c(-c3ccccc3)nc12 254309533 QCXWMBTZJYGAOP-UHFFFAOYSA-N 490.567 4.867 50 10 JJGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(F)cc2)cc1 254685778 OBGAXDSSMFQFLO-GMYZUSBHSA-N 458.537 4.593 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H]2C[C@H](Br)C[C@H]1C2 709778528 CJDGRLQJSLXBOZ-BIIVOSGPSA-N 458.013 4.661 50 10 JJGE CCC(CC)[C@H](Cl)CNC(=O)c1ccc(I)c(Br)c1 721615623 CSYWQEVWTVZDML-GFCCVEGCSA-N 458.565 4.827 50 10 JJGE C[C@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(=O)N1CCc2ccccc21 782092545 HHIWDTYBGKOOAJ-IGCAKMCNSA-N 499.958 4.545 50 10 JJGE O=C(CCCc1ccccc1)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084366000 BFMPERFUEZFKBB-UHFFFAOYSA-N 490.401 4.882 50 10 JJGE C=CCC[C@@H](C(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1)c1ccccc1 1142617562 RARHKXRTTREQMF-KAYWLYCHSA-N 453.586 4.511 50 10 JJGE CC(=O)c1cc(Br)ccc1OCC(=O)NNc1c(Cl)cc(F)cc1Cl 1624466606 HTKFGMYTDVMQDF-UHFFFAOYSA-N 450.091 4.620 50 10 JJGE Cc1c(C(=O)Oc2cccnc2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749457 LUCCCPRVXCZYGU-UHFFFAOYSA-N 488.327 4.745 50 10 JJGE Cc1sc2ncn(CC(=O)N/N=C/c3ccccc3C(F)(F)F)c(=O)c2c1-c1ccccc1 1860773010 MYTFLOOTAQBATE-IPBVOBEMSA-N 470.476 4.603 50 10 JJGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4cccc(Cl)c4Cl)c(=O)c23)C1 1860773838 HAPWNMCRSCPRDL-NMQDFBSDSA-N 463.390 4.601 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)ccc1O 1865681210 HUFPZUMFSZHYNO-KRWDZBQOSA-N 476.842 4.867 50 10 JJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)c1 1865693592 XBJPCCWSJOYZBA-KRWDZBQOSA-N 476.842 4.780 50 10 JJGE CCc1nn(CC)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865695990 BAAUHKBIUHSQPI-XMMPIXPASA-N 458.562 4.704 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1OC 1865706939 JJPYYNKIEWDLJQ-XMMPIXPASA-N 482.515 4.973 50 10 JJGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707204 QMFAAFUPFPZBOT-NRFANRHFSA-N 464.953 4.778 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc(OC)c1O 1865713995 ANUYDXYHCNRREE-QHCPKHFHSA-N 498.514 4.678 50 10 JJGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCNC(=O)[C@@H]2c2ccc(F)cc2)n1 1868231746 QRDPIYKSKIULEA-QFIPXVFZSA-N 462.554 4.733 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(OC(C)=O)c3)n2)c(OC)c1OC 1872759574 SVUBHFIPAWNDIS-JZJYNLBNSA-N 452.488 4.711 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C2CC2)C1 2018374373 ICUJRLPIKYEXHB-ROUUACIJSA-N 475.721 4.660 50 10 JJGE CC(N)=C(C#N)C(=O)CSc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1 2040426633 YKYCPNBPFKFJDP-UHFFFAOYSA-N 492.655 4.646 50 10 JJGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)CC(F)F 2059314700 OVIFHCVWCIMOBA-UHFFFAOYSA-N 452.748 4.999 50 10 JJGE CC[C@@H]1CN(C(=O)c2scc(Br)c2Br)C[C@H]1CBr 2084898362 JHKNJUAFSTWBRR-HTQZYQBOSA-N 460.029 4.766 50 10 JJGE CC(C)CN1C[C@@H](Br)[C@H](Cc2cc(Cl)ccc2I)C1 2100727099 LVRYRTHQHWQOKB-TZMCWYRMSA-N 456.593 4.838 50 10 JJGE CCCN1CCC[C@@H]([C@@H](Br)c2ccccc2OCc2ccccc2)S1(=O)=O 2145774012 DGVXCVVOUACIGU-SFTDATJTSA-N 452.414 4.906 50 10 JJGE O=S(=O)(N[C@@H]1CC[C@H](CBr)C1)c1c(Cl)cc(Br)cc1Cl 2146225938 XIKZJLRQVXTXBT-IONNQARKSA-N 466.022 4.598 50 10 JJGE Cc1ncc(CC(CBr)(CBr)c2ccc(Br)cc2)n1C 2172227247 HGEXFGXNMOXXOD-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CC2(CCl)CCC1CC2 2178886369 QORNGWJJPQSNGZ-UHFFFAOYSA-N 468.560 4.677 50 10 JJGE N#CC(=Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 2293038467 FFVAWVGZZZXPCW-UHFFFAOYSA-N 469.320 4.950 50 10 JJGE CCOC(=O)C(C#N)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 2293039093 BWSQBZKDSOLISK-GOSISDBHSA-N 475.339 4.578 50 10 JJGE COc1ccc(CNC(=O)C(C#N)=Cc2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)cc1 2294175243 JQXDGBLJSNDECV-UHFFFAOYSA-N 466.497 4.830 50 10 JJGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2c(Cl)cccc2Cl)cc1 2295523587 ZEIOFIQAXASWBI-UHFFFAOYSA-N 481.383 4.981 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2328799174 OTWKWTAGRDXNTL-NRFANRHFSA-N 457.958 4.769 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)c(OC)c1 2331386820 RAWSVVDWTDXPSQ-UHFFFAOYSA-N 452.492 4.751 50 10 JJGE COc1cc(F)c(Br)cc1[C@H](Br)c1c(Br)ncn1C 2337273691 VVUYPRVXQSRKGL-JTQLQIEISA-N 456.935 4.577 50 10 JJGE CC1(C)[C@H]2CO[C@]1(CO[C@@H](CI)c1ccccc1Br)C2 2359840092 DXNXVBBHRQZATP-WPGHFRTFSA-N 451.142 4.757 50 10 JJGE C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 14665789 FMKROBKAPDQISD-ZIAGYGMSSA-N 453.366 4.673 50 10 JJGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)Cc1ccccc1)c1nc3cc(Cl)c(Cl)cc3nc12 33366412 UAHWXWSKFGNXOQ-RPBOFIJWSA-N 483.399 4.656 50 10 JJGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)c1 38684572 NWQNDCRUKQWPQO-QLXKLKPCSA-N 486.499 4.982 50 10 JJGE CCOc1ccc(CCN/C=C(/C#N)C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1OCC 217049758 RADFRIMMKHJJTH-VKKZRZNRSA-N 465.638 4.745 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccccc3O)cc2OCC)cc1 263627718 JZUXAZKRPPLWEZ-UHFFFAOYSA-N 462.502 4.563 50 10 JJGE CCOc1ccccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382698344 YSCRUGYIRRPXTD-MJGOQNOKSA-N 465.331 4.873 50 10 JJGE Cc1cccc(C(=O)NC[C@H]2CCC[C@@H](CBr)C2)c1I 383666551 SALIAPGUKDLUCL-OLZOCXBDSA-N 450.158 4.531 50 10 JJGE ClCc1nc2cc(I)ccc2n1Cc1cnn(Cc2ccccc2)c1 390426883 WSHMBWFQPMPKDA-UHFFFAOYSA-N 462.722 4.673 50 10 JJGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@@H](Cl)CC[C@H]2C1 398792488 OEDPQCHQXRUWIJ-AXFHLTTASA-N 468.560 4.533 50 10 JJGE CN(C[C@H]1CCC[C@@H]1Br)C(=O)c1ccc(Br)cc1Br 689218073 KZFQGJOQASBOQG-SKDRFNHKSA-N 454.000 4.847 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc3c(c2)CCCC3)c(-c2ccccc2)n1 761388392 GXRKUWXODLJXDX-JLPGSUDCSA-N 464.525 4.676 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)NC[C@H](c2ccccc2)N2CCCC2)c(-c2ccc(Cl)cc2)n1 842532869 HRBDUGCHVQWQMO-CVMWMZFYSA-N 499.018 4.977 50 10 JJGE Cc1cc(OCC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)ccc1Br 1084517197 MVGSHXNJOPYAHY-UHFFFAOYSA-N 453.336 4.866 50 10 JJGE CN(C(=O)c1ccccc1)[C@H]1Cc2ccccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1088705515 NOWVIPRBKSXVSX-PEPHVGFSSA-N 482.462 4.808 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)ccc1O 1865681144 GAGDQOQAYUYCIF-GOSISDBHSA-N 490.869 4.926 50 10 JJGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc1OC 1865696560 HOJDLGVQOGYTAX-GOSISDBHSA-N 464.488 4.964 50 10 JJGE N#C/C(=C\c1ccc(Br)cc1)C(=O)NC[C@@H](c1ccccc1)S(=O)(=O)c1ccccc1 1866128929 TWWOSZAHLHOKET-FIWMFUAISA-N 495.398 4.687 50 10 JJGE CC[C@](C)(NC(=O)Cc1nc(-c2ccc(F)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866661847 JFCATHYLFJOWPR-DEOSSOPVSA-N 466.538 4.828 50 10 JJGE COc1cc(Br)c([C@H](Br)[C@@H]2C[C@H]2Br)c(OC)c1OC 1887726077 WMSMUXRYSBMWJM-OPVBNTEQSA-N 458.972 4.694 50 10 JJGE CC(C)(CCl)N(Cc1ccccc1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 1901045652 VYNBTGQOEQDFSL-UHFFFAOYSA-N 491.053 4.692 50 10 JJGE CC1(C)CN(C(=O)c2cc(Br)ccc2Br)C[C@@H]1CBr 1914530520 CGEWELOJHANGDW-VIFPVBQESA-N 454.000 4.705 50 10 JJGE CC1(C)CN(C(=O)c2ccc(Br)cc2Br)C[C@H]1CBr 1914531051 IFVXQDQEVOODBK-SECBINFHSA-N 454.000 4.705 50 10 JJGE CCN(C[C@](C)(CI)OC[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)OC(C)(C)C 1997929795 NFEVNHYTUYNMFZ-FPXQBCRKSA-N 451.389 4.890 50 10 JJGE Cn1nc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)c(Br)c1Cl 2001994343 XKQOBEKXHLQQON-ZDUSSCGKSA-N 475.612 4.652 50 10 JJGE O=C(NCC1CCC(Br)CC1)c1csc(Br)c1Br 2032953931 SSBWVEMKUPZYGO-UHFFFAOYSA-N 460.029 4.957 50 10 JJGE CC(C)[C@@H](Br)[C@@H](C)NC(=O)c1cc(I)ccc1Br 2041306239 DISUFSZZHMUOAQ-PRHODGIISA-N 488.989 4.592 50 10 JJGE COc1cc(C(=O)OCC(=O)C(C#N)=C2Sc3ccccc3N2C)ccc1OCCC(C)C 2053611195 GQFVKUIUBXKLLC-UHFFFAOYSA-N 466.559 4.823 50 10 JJGE O=C(N[C@H]1C[C@@H]([C@H](F)CBr)C1)c1cc(Br)sc1Br 2078365450 YSUSTZYTORONSU-GKROBHDKSA-N 463.992 4.515 50 10 JJGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1ccc(Br)cc1Br 2104411132 KTLROQJDTLXZQA-LVNATWPUSA-N 451.984 4.503 50 10 JJGE C[C@@H]1CC[C@@H](CBr)N(C(=O)c2ccc(I)c(Cl)c2)C1 2110615195 DLIXWAMUZPOZHZ-KOLCDFICSA-N 456.549 4.580 50 10 JJGE CC(C)(C)N1C[C@@H](Br)[C@H](Cc2ccc(I)c(Cl)c2)C1 2142936705 KVQLJXLKYKNZOA-VXGBXAGGSA-N 456.593 4.981 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CCC(F)(F)[C@@H](CBr)C1 2148751561 QIWNDRSJRJOAJF-QMMMGPOBSA-N 475.953 4.704 50 10 JJGE CCc1ccc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)C[C@H]1CCCO1 2179862578 YJFFRBMZQPMTLH-HXUWFJFHSA-N 452.414 4.514 50 10 JJGE O=C(NC[C@]12CCC[C@@]1(CBr)C2)c1cc(Br)ccc1Br 2208039804 NHIXZXZYFHFCMK-LSDHHAIUSA-N 466.011 4.897 50 10 JJGE Cc1ccc(I)c(C(=O)N(C)C2CCC(CBr)CC2)c1 2240924743 MRWDODLKJGHWDN-UHFFFAOYSA-N 450.158 4.625 50 10 JJGE CCC(CC)[C@@H](Br)CNC(=O)c1ccc(Cl)c(I)c1 2268359208 PYTIKYAPCDXAKJ-NSHDSACASA-N 458.565 4.874 50 10 JJGE CC(C)(CO[C@@](C)(CI)CNC(=O)OC(C)(C)C)Cc1ccccc1 2316846236 WSRKKNGSZFJUNW-FQEVSTJZSA-N 461.384 4.990 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@H]2CC[C@H]1C[C@@H]2Br 2337160886 YPAORORIHPVSOF-PTRXPTGYSA-N 451.984 4.600 50 10 JJGE COc1cc(CCl)c(Oc2cc(Br)cc(I)c2)cn1 2338758072 PFBWDYPPBMLTDV-UHFFFAOYSA-N 454.489 4.988 50 10 JJGE CC[C@]1(C)[C@@H](Br)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2361897788 VYDIWADEYAHTOU-DZGCQCFKSA-N 468.027 4.919 50 10 JJGE CCCOc1ccc(C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)cc1Br 14647280 BDYPSRDBHIBILQ-UHFFFAOYSA-N 467.363 4.831 50 10 JJGE COc1ccc(CC(=O)Oc2cccc(/C=C(/C#N)c3ccc(OC)c(OC)c3)c2)cc1OC 31902977 ALVYRCRKAZVXAL-MTJSOVHGSA-N 459.498 4.933 50 10 JJGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)c1 35549785 IRXMOJNXQUJEGW-XMHGGMMESA-N 468.513 4.735 50 10 JJGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)c1 38684386 XWANJKASONKYBS-HHHXNRCGSA-N 470.525 4.986 50 10 JJGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1cccc([N+](=O)[O-])c1 58891816 QARHYBSTVZFJOW-AEJDXJHNSA-N 473.529 4.866 50 10 JJGE O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(F)(F)C(F)(F)C(F)(F)F 59151317 SEHNVMMDLPDRPV-ZNLRHDTNSA-N 498.267 4.578 50 10 JJGE CCOc1cc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccc(F)cc1 59921578 MOWDDTNPSICQHB-JFLMPSFJSA-N 452.482 4.585 50 10 JJGE BrCc1c(Br)cc(I)cc1Br 166680624 GBQLLADPQXTFNY-UHFFFAOYSA-N 454.725 4.711 50 10 JJGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccccc2C(C)(C)C)c(OCC)c1 206290275 DYBCOWRYYJKKGD-RGEXLXHISA-N 451.519 4.837 50 10 JJGE CC[C@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 251345116 LHNKYQRPLDLECO-ZNMIVQPWSA-N 453.366 4.889 50 10 JJGE C/C(C=NNC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1)=C/c1ccccc1 252634078 WKFYCNUAOKZDQB-MDDAXJLTSA-N 452.558 4.729 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc4c(c3)OCO4)cc2OCC)cc1 254305151 BNZQNXPLVPSTKL-UHFFFAOYSA-N 490.512 4.586 50 10 JJGE CC(=NNC(=O)CCN1CCN(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1Cl 254496196 UHYZLWQLFTVCQE-UHFFFAOYSA-N 453.801 4.699 50 10 JJGE CCN(CC)c1ccc(C(=O)NN=Cc2ccc(OCc3ccc(C(=O)OC)cc3)c(OC)c2)cc1 254735657 PKUXJDPUZKSMNH-UHFFFAOYSA-N 489.572 4.671 50 10 JJGE O=C(CBr)c1ccc(C(F)(F)F)c(I)c1C(F)(F)F 575380763 IBHUCTRMDGCMNO-UHFFFAOYSA-N 460.937 4.906 50 10 JJGE O=C(Cc1ccc([N+](=O)[O-])cc1)NN=Cc1ccccc1OCc1ccc(Br)cc1 1083991781 AJVNFXVBNMYFIM-UHFFFAOYSA-N 468.307 4.629 50 10 JJGE O=C(COc1ccc(Br)cc1Cl)NN=Cc1cc(Cl)cc(Cl)c1O 1084139573 KQTAYIPORXTOJA-UHFFFAOYSA-N 452.519 4.644 50 10 JJGE Cc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746347 DPXRSHGIVVZVLU-UHFFFAOYSA-N 481.350 4.777 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865711517 ALJOELIGBCYHCO-QHCPKHFHSA-N 450.498 4.775 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)c1 1865711920 LMFGYCBPGPKTAN-HSZRJFAPSA-N 452.489 4.964 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@H](Br)C12CCC2 1914426010 NBVKTZXNLIWOAG-NSHDSACASA-N 451.984 4.744 50 10 JJGE Cc1csc(C(=O)N(C)C[C@H](Br)COCc2ccccc2)c1Br 1939883984 RWADWAFKCDJPKZ-AWEZNQCLSA-N 461.219 4.871 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C12CCC2 2010829261 TUSQLAASOXOVNW-IAGOWNOFSA-N 475.721 4.566 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CN(C(=O)OC(C)(C)C)C12CCCCC2 2017324141 UZNVDDOAZXDYCQ-QGZVFWFLSA-N 475.721 4.804 50 10 JJGE C[C@H](Br)[C@@H]1CCCN(C(=O)c2csc(Br)c2Br)C1 2032956357 PYXKHKUWIYGEBY-JGVFFNPUSA-N 460.029 4.909 50 10 JJGE O=C([C@@H](Cl)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)N1CCOCC1 2071251581 DTIHICLXKZKTSU-VWLOTQADSA-N 451.950 4.983 50 10 JJGE O=C(NCC1CCC(Br)CC1)c1cccc(Br)c1Br 2092339261 CARAEJWSEXAHEA-UHFFFAOYSA-N 454.000 4.895 50 10 JJGE C[C@H]1CC[C@@H](CBr)N(C(=O)c2ccc(Br)cc2Br)C1 2110616823 MZPZLZVJHDLSJW-ONGXEEELSA-N 454.000 4.847 50 10 JJGE CC1(C)CC(CCl)(NC(=O)c2ccc(Br)cc2I)C1 2142286136 XXUXZXDXZFCOAP-UHFFFAOYSA-N 456.549 4.581 50 10 JJGE CCC[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@H]1CBr 2205698813 SXSIRAIDFRGNEV-RKDXNWHRSA-N 465.660 4.596 50 10 JJGE Cc1ccc(I)c(C(=O)N[C@H](CBr)c2cccs2)c1 2232163116 CAOLPMQGDQDMHT-GFCCVEGCSA-N 450.139 4.527 50 10 JJGE CC1(CBr)CCN(C(=O)c2ccc(Cl)c(I)c2)CC1 2268348626 XERHLHXFLNMRIQ-UHFFFAOYSA-N 456.549 4.582 50 10 JJGE C[C@H](Br)CN(CC(C)(C)C)C(=O)c1cccc(F)c1I 2288078802 PGPWSJUYUFXEDH-JTQLQIEISA-N 456.137 4.702 50 10 JJGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)CC)cc2)ccc1OC(=O)C=Cc1ccccc1 2313530164 MOXIIGLNRLQSOA-UHFFFAOYSA-N 485.540 4.817 50 10 JJGE CC(C)(C)OC(=O)N1CCC(NC=C(C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 2325385082 KVUAMFQKGHCKAK-UHFFFAOYSA-N 472.895 4.694 50 10 JJGE C[C@]1(CBr)CC(F)(F)CN1Cc1cc(I)ccc1Cl 2352412182 ZAANEJFSGBZUPX-GFCCVEGCSA-N 464.519 4.939 50 10 JJGE Cn1nc(C(F)(F)F)c(CBr)c1Oc1ccccc1I 2365317302 WFHPJVMYZRGCLY-UHFFFAOYSA-N 461.019 4.731 50 10 JJGE CC(C)[C@H](CBr)N(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2367121576 RGHUGAUFEKTPQQ-NSHDSACASA-N 468.038 4.796 50 10 JJGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1 14029713 FOTSNGKLVOGDMS-UHFFFAOYSA-N 461.587 4.872 50 10 JJGE CCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1Br 14041293 OULDHXKVYNIFQI-UHFFFAOYSA-N 490.398 4.687 50 10 JJGE CCc1ccccc1NC(=O)CN(C)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OC)cc2)c1C 36727410 XQJYSIAZEFFPEG-XQNSMLJCSA-N 470.573 4.669 50 10 JJGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1 38651821 PBNYEDWYEYFIEK-DEOSSOPVSA-N 491.341 4.824 50 10 JJGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Nc1cc(Cl)ccc1Cl 40778233 ZEZYVGONPWJWCW-UHFFFAOYSA-N 468.142 4.629 50 10 JJGE CCOc1ccc(NC(=O)N/N=C/c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)cc1 59249450 ZXWZEOSDZRCZOP-CVKSISIWSA-N 463.490 4.527 50 10 JJGE CCCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C)cc1 100153754 GECHYYKFLWEANW-UHFFFAOYSA-N 477.399 4.947 50 10 JJGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(C)c(C)c1 101241933 QQBKOOJHVUMLEG-AZJLSSPBSA-N 451.979 4.685 50 10 JJGE C[C@@H](Br)CCN(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 135768063 XOJFUBQOBZVUAS-SSDOTTSWSA-N 454.011 4.550 50 10 JJGE O=C(NC[C@H]1CCC[C@H](Br)C1)c1cc(Br)sc1Br 227759354 SCJLAALYINXGRK-YUMQZZPRSA-N 460.029 4.957 50 10 JJGE O=C(NC[C@@H](Br)c1ccccc1)c1ccc(I)c(Cl)c1 232348940 MGCZOOMGRRFDRR-GFCCVEGCSA-N 464.528 4.811 50 10 JJGE CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 251345113 LHNKYQRPLDLECO-KKUMJFAQSA-N 453.366 4.889 50 10 JJGE O=C(Nc1cccc(CCCBr)c1)c1sccc1I 311392800 CYMPZOUFHNQJRH-UHFFFAOYSA-N 450.139 4.933 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](c2cc(O)ccc2Br)[C@@H](CI)C1 394761806 WYXZWVHNLOTXOU-GWCFXTLKSA-N 482.156 4.540 50 10 JJGE C[C@@H]1CN(C(=O)c2scc(Br)c2Br)C[C@]1(C)CBr 705447178 FRSFLRYKAOKERT-KRTXAFLBSA-N 460.029 4.766 50 10 JJGE C[C@@H]1CCC[C@@](CCl)(NC(=O)c2ccc(I)c(Br)c2)C1 721571727 IKYDPDMKFBTPOD-MEBBXXQBSA-N 470.576 4.971 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CCCCC[C@@H]1CCl 721622218 REQMTDDPMWKIEM-LLVKDONJSA-N 456.549 4.677 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccccc2OCc2ccccc2F)cc1 1084261455 AXQQIPZHEQYEOU-XMMPIXPASA-N 450.510 4.767 50 10 JJGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccccc1C#N 1084360316 SSTHSOIAEGNPHM-SANMLTNESA-N 453.542 4.830 50 10 JJGE COC(=O)c1c(NC(=O)c2ccccc2I)sc(/C(C)=C\C#N)c1C 1084443833 YIRLZZOYUXXKIP-NTMALXAHSA-N 466.300 4.627 50 10 JJGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(C)cc2)CCC3)cc1 1772745009 QCSWMGXCLWQSSY-UHFFFAOYSA-N 473.529 4.796 50 10 JJGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1 1865686346 VDVMGNNRURIXBJ-HNNXBMFYSA-N 464.806 4.910 50 10 JJGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865699475 VFLVDIMPYRUEJT-QFIPXVFZSA-N 489.938 4.956 50 10 JJGE CC[C@@](C)(NC(=O)Cc1nc(-c2cccc(C)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866649025 WOFWGNKRTALYBA-RUZDIDTESA-N 462.575 4.998 50 10 JJGE CCCNCc1cc(Br)c(OC[C@@H]2C[C@@H]2Br)c(Br)c1 1887832906 LEFITFVEMGUZED-QWRGUYRKSA-N 456.016 4.873 50 10 JJGE O=S(=O)(c1cccc(Br)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915170612 TXLLCUNLDUEGQL-GOSISDBHSA-N 473.230 4.814 50 10 JJGE O=C(NCCNC(=O)[C@H](Br)C1CCCC1)OCC1c2ccccc2-c2ccccc21 1953851150 KYAGSLLXHFZYJW-JOCHJYFZSA-N 471.395 4.595 50 10 JJGE CC[C@H](Br)CN(c1ncc(I)cc1Br)C1CC1 2015766563 NVPSBJNFSLRPIM-QMMMGPOBSA-N 473.978 4.591 50 10 JJGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br 2059264661 ITGLAQUNRWNPBX-UHFFFAOYSA-N 495.233 4.553 50 10 JJGE Brc1cc(I)cnc1N1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2069531549 JWJMWVWOQUZNEX-PTRXPTGYSA-N 485.989 4.591 50 10 JJGE C[C@@H]1CN(Cc2cccc(Br)c2Br)C[C@@H](CCBr)O1 2122794346 SFNKUAZXNVBATR-ZYHUDNBSSA-N 456.016 4.586 50 10 JJGE O=C(N[C@@H]1CC[C@H]2C[C@]21CBr)c1cc(Br)cc(Br)c1 2132116201 OZDMZXMLAAZGEC-BHYNMZESSA-N 451.984 4.505 50 10 JJGE CC1(C)CCN(C(=O)c2cc(Cl)ccc2I)C[C@H]1CBr 2148653375 MGOVYCIXLJGXSN-SNVBAGLBSA-N 470.576 4.828 50 10 JJGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCC[C@@H](CCBr)CC1 2149734239 ZPMMPAYKUQOHTL-VIFPVBQESA-N 465.660 4.740 50 10 JJGE CC1(C)C[C@@H](Br)CCN1S(=O)(=O)c1cc(Br)ccc1Br 2169875333 JVWTVIWNMSEYIV-JTQLQIEISA-N 490.055 4.538 50 10 JJGE CCC[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@H]1CBr 2205703593 NWNIAWKRWFEOND-VXGBXAGGSA-N 470.576 4.828 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1[C@H]2CC[C@@H](Br)[C@H]1CC2 2222296835 WPNJKYSBSYQWSI-LKEWCRSYSA-N 458.013 4.804 50 10 JJGE Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2CCBr)cc1I 2232838936 NRARGWOCZWABNG-IUODEOHRSA-N 450.158 4.673 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC1CC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 2246936476 VMVBGFAMULZQQW-WWDZGPRUSA-N 475.721 4.518 50 10 JJGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(O)c(I)c2)cc1 2294168680 ZYVMPSZSESWLGN-UHFFFAOYSA-N 497.130 4.867 50 10 JJGE Clc1cc(I)c([C@@H](Br)[C@H]2CCn3nccc3C2)s1 2316604579 BISIEGVNYMSPRL-CPCISQLKSA-N 457.562 4.901 50 10 JJGE C[C@H](CBr)CC1CN(Cc2ccc(I)c(Br)c2)C1 2325229453 NVEKSJLEEATIOF-JTQLQIEISA-N 487.017 4.907 50 10 JJGE CC[C@@]1(C)[C@@H](Br)CCN1C(=O)c1ccc(Br)cc1Br 2336761536 JNAKSPLFZLXPAS-JSGCOSHPSA-N 454.000 4.990 50 10 JJGE CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 9873934 NPKCWHAYIZWUQY-KGLIPLIRSA-N 483.790 4.610 50 10 JJGE CCOc1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3nc(O)c4ccccc4n3)cc2)cc1 34988287 BHTJAEUGFZFCIA-CYVLTUHYSA-N 466.497 4.816 50 10 JJGE COc1cc(/C=C(\C#N)c2nc(O)c3ccc(C)cc3n2)ccc1OCC(=O)Nc1ccccc1 35519957 QAXSLOLTTJOANM-CPNJWEJPSA-N 466.497 4.734 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)c(OC)c1 38656767 RZEQKIDVNMADET-HSZRJFAPSA-N 462.889 4.795 50 10 JJGE COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C)cc3)nc3c(C)cccn3c2=O)c1 39858561 PHSIVBVTZIFFFI-RGEXLXHISA-N 466.497 4.658 50 10 JJGE Cc1ccc(C(=O)NNc2ncnc(NC(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1 40650598 NWWVEJPXKREPMS-UHFFFAOYSA-N 454.490 4.652 50 10 JJGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2)c1cccc(C)c1 40812244 OZKAOJTVJUJWRF-SZXQPVLSSA-N 474.517 4.942 50 10 JJGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 40867377 FUDBOXIFXXUCAC-LVZFUZTISA-N 476.558 4.607 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CCCCC[C@H]2Cl)cc1Br 136223939 HXHUBTOGYPZDTO-CHWSQXEVSA-N 459.631 4.738 50 10 JJGE C[C@@H](NC(=O)/C(C#N)=C\NCCc1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2 217060048 NOZDZPNWDFFYRS-NGJDMAORSA-N 456.428 4.710 50 10 JJGE CC(=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1ccccc1O 254288572 UCSFYAFKXCLZLB-UHFFFAOYSA-N 457.559 4.581 50 10 JJGE Cc1ccc(C=NNC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)c(C)c1 254703642 HJVKVKHMLQSRPI-UHFFFAOYSA-N 469.566 4.929 50 10 JJGE Cc1ccc(F)c([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1 382682837 FECMXGMBUGIOLS-SJLPKXTDSA-N 453.295 4.921 50 10 JJGE Clc1ccc(I)c(CN2C[C@H]3C[C@@H](Br)CC[C@H]3C2)c1 405314897 WGXMQOTYCBWSIZ-LOWVWBTDSA-N 454.577 4.940 50 10 JJGE CCCN(CCC)c1ccc(C(=O)NN=C2C(=O)N(CCOc3ccccc3)c3ccccc32)cc1 1084437620 JEHOKTDEZGBVLC-UHFFFAOYSA-N 484.600 4.873 50 10 JJGE COc1cc(C=NNC(=O)c2ccccc2OC)ccc1OCc1ccc(Br)cc1 1084522495 DXGWEYRKXCHLFH-UHFFFAOYSA-N 469.335 4.809 50 10 JJGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)c3cc4ccccc4oc3=O)cc2)cc1 1858904192 GNVKQYXMPIZOIA-UHFFFAOYSA-N 471.494 4.907 50 10 JJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CCC)cc1OCC 1865690896 DQBARTVJSNSRJO-KRWDZBQOSA-N 450.461 4.718 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc(OC)c1OC 1865691909 DTKWCPJQEZKMHE-XMMPIXPASA-N 468.513 4.578 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865699554 WUSXWUYNHMOGIK-JOCHJYFZSA-N 471.948 4.817 50 10 JJGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1865706298 SOEJOLNHMPEZLK-INIZCTEOSA-N 491.813 4.679 50 10 JJGE Cn1cnc(Br)c1[C@@H](Cl)c1sc(Cl)cc1I 1901023003 HQJDHLVKXXEJPY-ZCFIWIBFSA-N 451.942 4.830 50 10 JJGE Clc1ccc(I)cc1CO[C@H]1CCC[C@@H]1I 1904938459 YZVDTDBHSLYNPD-RYUDHWBXSA-N 462.496 4.817 50 10 JJGE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1C[C@@H](O)CBr 1952388903 GJUIWYKXGPOKFS-SNVBAGLBSA-N 488.014 4.857 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 1985351297 CQADEKGJZZILLW-DLBZAZTESA-N 463.710 4.566 50 10 JJGE C[C@@H]1C[C@H](Br)CCN(C(=O)c2csc(Br)c2Br)C1 2041566359 JUBFYRIZICVDPP-HTQZYQBOSA-N 460.029 4.909 50 10 JJGE C[C@@H]1C[C@@H](Br)CCN(C(=O)c2ccc(I)c(Cl)c2)C1 2103287231 PAEIGFVBOJVUQL-KOLCDFICSA-N 456.549 4.580 50 10 JJGE O=C(NC[C@H](CBr)C(F)(F)F)c1cccc(Br)c1Br 2105265771 QZCFDEDVQIQHNA-LURJTMIESA-N 467.905 4.515 50 10 JJGE O=S(=O)(c1ccc(CBr)cc1Cl)N1CCC(OCc2ccccc2)CC1 2123211689 YIPMCZRQVUOZMS-UHFFFAOYSA-N 458.805 4.605 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@H](Br)[C@@H]1C1CC1 2130611541 LZQDVXHIPXKMCW-STQMWFEESA-N 451.984 4.600 50 10 JJGE C[C@H](CCCCCCl)NC(=O)c1ccc(Br)cc1I 2142289402 PZFZOBBUJCVMNO-SNVBAGLBSA-N 458.565 4.971 50 10 JJGE CCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1c(C)csc1CBr 2179816515 RXHWZJPSOKFVOZ-UHFFFAOYSA-N 471.486 4.627 50 10 JJGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N(C)[C@H]1CC[C@H]1OCc1ccccc1 2179859538 FRXDEZCZLDBSGU-RBUKOAKNSA-N 472.832 4.912 50 10 JJGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc(F)c(Cl)c(CBr)c1 2179861130 COHAETLYGWIYJV-UHFFFAOYSA-N 478.811 4.992 50 10 JJGE CC(C)(C)OC(=O)NCC[C@H](N(CCCCCI)C1CC1)C(F)(F)F 2220213766 ABZCLKKMCDAFTG-AWEZNQCLSA-N 478.337 4.902 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CC2(CCC2)C[C@H]1CBr 2283651237 DPAWTXBESDFCIS-NSHDSACASA-N 468.560 4.724 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2283657843 DHMZVQINTUTWMP-MISXGVKJSA-N 468.560 4.865 50 10 JJGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(F)cc1 2313565276 CVNAYRCQDIFPJJ-UHFFFAOYSA-N 471.532 4.669 50 10 JJGE CCCOc1ccc(C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OCC 2314620924 WEILDBULTZHTTQ-UHFFFAOYSA-N 474.557 4.718 50 10 JJGE CCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)cc1OC 2314753806 GBVWKYQAZZDTAY-UHFFFAOYSA-N 486.524 4.919 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2ccc(Br)cc2)c(OC)c1 2314776886 YWZSHZPBPWAZBD-UHFFFAOYSA-N 457.324 4.500 50 10 JJGE COc1ccc(Cc2nc3ccc(C(=O)NN=Cc4ccc(OCC(C)C)cc4)cc3[nH]2)cc1 2323720923 UUTWHRVSJMTACO-UHFFFAOYSA-N 456.546 4.961 50 10 JJGE Cc1ccc(-c2csc3ncn(CC(=O)NN=Cc4ccc(C(F)(F)F)cc4)c(=O)c23)cc1 2325904655 RTXGTGWMTITHRH-UHFFFAOYSA-N 470.476 4.603 50 10 JJGE O=S1(=O)CC[C@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337092593 SLZPURDSUXKNOX-CDUCUWFYSA-N 499.421 4.875 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@H]2C[C@H](Br)CC[C@H]21 2353891671 HPNWTPGOSXVNOX-DRCTWCGVSA-N 466.011 4.990 50 10 JJGE FC(F)(F)[C@@H]1CN(Cc2ccc(Cl)cc2I)C[C@H]1CBr 2366713306 XNLZMBRKELCZGP-MWLCHTKSSA-N 482.509 4.950 50 10 JJGE CCCCOc1ccccc1/C=N/NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 3658293 ASGLYGGXEXOCDZ-TURZUDJPSA-N 493.629 4.828 50 10 JJGE COc1ccc(N[C@H](C)C(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)cc1 8683525 QMOIYTIUVMMHAZ-CIRUFVMISA-N 482.378 4.987 50 10 JJGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1[C@@H](C)CC 14652590 KDCPDSDBLUVUTB-HNNXBMFYSA-N 463.372 4.591 50 10 JJGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C)cc3)ccc21 38650456 DEKSPOWRYLMHMP-SANMLTNESA-N 456.498 4.596 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)c1OC 38658720 ZPYLFBXSFCRWQF-QFIPXVFZSA-N 462.889 4.795 50 10 JJGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)c1 38684570 NWQNDCRUKQWPQO-WGDIFIGCSA-N 486.499 4.982 50 10 JJGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Oc3cccc4cccnc34)c(C)c21 40813220 TVMGXBGCASUUSJ-VUTHCHCSSA-N 469.497 4.834 50 10 JJGE COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc(Br)c1O 40959545 ZJAYRMHWNBEUDA-CAUYNWHBSA-N 469.335 4.748 50 10 JJGE CCOc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OCc2ccccc2)cc1O 96095897 PRGBQWDNOFTNEL-AFUMVMLFSA-N 469.335 4.896 50 10 JJGE COc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(CCc2ccccc2)C(=O)CCl)cc1OC 97914809 YCTNOLOJNJWXJL-UYSSGXRJSA-N 487.040 4.750 50 10 JJGE ClCCc1nc2cc(Br)cnc2n1-c1ccccc1I 98039900 RGVSQSCCOQSNSP-UHFFFAOYSA-N 462.516 4.569 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 143551422 AZBZPRFEFCPULP-QHCPKHFHSA-N 450.498 4.775 50 10 JJGE CCc1ccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 254303139 KHUZXKWKQRRXHH-UHFFFAOYSA-N 465.509 4.710 50 10 JJGE CCN(CC)c1oc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1Sc1ccccc1[N+](=O)[O-] 254399062 QFPOMYRJEWPJRB-UHFFFAOYSA-N 483.506 4.857 50 10 JJGE COc1cc(-c2cc(C(=O)NN=C(C)c3ccc(C#N)cc3)c3ccccc3n2)cc(OC)c1OC 254510782 KHFJILRTKRNKCV-UHFFFAOYSA-N 480.524 4.953 50 10 JJGE CC1(C)CN(S(=O)(=O)c2cc(CCl)sc2Br)CCN1Cc1ccccc1 382644904 IOYIVCNDGJSFPR-UHFFFAOYSA-N 477.877 4.535 50 10 JJGE Fc1ccc(N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)c(CBr)c1Cl 705736371 YVNQFEWTKXEYGD-UXHICEINSA-N 453.783 4.854 50 10 JJGE CCO[C@@H]1CCC[C@@H](O[C@](C)(CI)CN(CC)C(=O)OC(C)(C)C)C1 721650856 CMGKJKAJTIVHPB-GPMSIDNRSA-N 469.404 4.801 50 10 JJGE CCOC(=O)c1c(-n2c(C)cc(C=NNC(=O)CC[C@H](O)c3ccccc3)c2C)sc(C)c1C 1084635441 ACGUAIGTIAYWLG-QFIPXVFZSA-N 481.618 4.913 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@@H](c2ccc(Br)cc2[N+](=O)[O-])C1 1614689565 BMYXWZZMDUZYBI-MFKMUULPSA-N 464.154 4.703 50 10 JJGE C=CC[C@H](Cc1ccccc1)NC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 1686761713 VYFOPUYNMDSBER-GOSISDBHSA-N 450.366 4.670 50 10 JJGE Cc1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1 1772753987 KNLJYYDMPUCDND-UHFFFAOYSA-N 453.336 4.866 50 10 JJGE COc1ccc(OCCCC(=O)Nc2cccc(C(=O)Nc3ccc(SC#N)cc3)n2)cc1 1860559136 QKERURREICNUGD-UHFFFAOYSA-N 462.531 4.713 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1cccc(Br)c1 1865684799 YRNDJWGPWHXPQD-OAHLLOKOSA-N 461.241 4.872 50 10 JJGE CCc1nn(C)c2c1[C@H](c1ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865705607 ZYCDYNQLBKWVPJ-HXUWFJFHSA-N 499.354 4.735 50 10 JJGE O=S(=O)(c1cc(Br)cc(CCl)c1F)N(Cc1ccccc1)CC(F)F 2034756529 VROKKFHVWKDPKZ-UHFFFAOYSA-N 456.711 4.783 50 10 JJGE O=C(CBr)c1cc(C(F)(F)F)c(OC(F)(F)F)cc1I 2055150918 UVVHQNNGHNNYPJ-UHFFFAOYSA-N 476.936 4.786 50 10 JJGE COc1ccc(Cn2nc(CCl)c(I)c2C(F)(F)F)c(Cl)c1 2079211660 XKOGNVZBXFLTPZ-UHFFFAOYSA-N 465.040 4.956 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC2(CC2)C[C@@H]1CBr 2099155288 QUJQZPYKESDBPT-GFCCVEGCSA-N 451.984 4.601 50 10 JJGE CC1(C)CO[C@H](CBr)CN1Cc1cc(Br)ccc1Br 2118533967 FAKIBUASABGDQL-GFCCVEGCSA-N 456.016 4.586 50 10 JJGE O=C(N[C@@H](CCl)c1ccsc1)c1cc(Br)ccc1I 2119038492 IXKKDHRYTGVOEI-LBPRGKRZSA-N 470.557 4.825 50 10 JJGE COc1ccc(Oc2nc(CCl)ccc2Br)cc1I 2120529669 LAGNOBIBNDQACY-UHFFFAOYSA-N 454.489 4.988 50 10 JJGE CN(c1ncc(I)cc1Br)C1(CCl)CC2(CCC2)C1 2133383967 IDBZASQRXHDCML-UHFFFAOYSA-N 455.565 4.827 50 10 JJGE C=CC[C@@](C)(CBr)CNC(=O)c1cc(Cl)ccc1I 2137193899 QAORIZDAWVASSZ-AWEZNQCLSA-N 456.549 4.652 50 10 JJGE O=C(c1ccc(F)cc1I)N1CCCC[C@H]1CCCBr 2206674256 GMTQZOICINPXLB-LBPRGKRZSA-N 454.121 4.600 50 10 JJGE CC(C)[C@H](Br)c1cn(-c2ccc(Br)cc2I)nn1 2223529197 KCJPCKBRKASWEB-LBPRGKRZSA-N 484.961 4.726 50 10 JJGE Cc1ccc(I)c(C(=O)N2CCCC[C@H]2C[C@@H](C)Br)c1 2240913810 NMNWZNIDUFPSBV-OLZOCXBDSA-N 450.158 4.768 50 10 JJGE O=C(NCC[C@@H]1CCC[C@H]1Br)c1ccc(Cl)c(I)c1 2268349242 ZZXWQZCJNKHVDR-GXSJLCMTSA-N 456.549 4.628 50 10 JJGE CCC[C@@H](CCBr)CNC(=O)c1ccc(Cl)c(I)c1 2268349975 RKKCYKXXCPYQTI-JTQLQIEISA-N 458.565 4.876 50 10 JJGE O=C(N[C@@H](CBr)c1ccccc1)c1ccc(Cl)c(I)c1 2283654479 COSIGJGKXAHNQH-AWEZNQCLSA-N 464.528 4.811 50 10 JJGE COc1ccc([C@H](Br)c2cc3c(ncn3C)s2)cc1I 2285001851 IIMWWERXHHNUSJ-ZDUSSCGKSA-N 463.138 4.732 50 10 JJGE CC1(C)CN(C(=O)Cc2cc(Br)cc(Br)c2)CC[C@@H]1Br 2295312889 CCCDUEOKILMLTF-ZDUSSCGKSA-N 468.027 4.776 50 10 JJGE CCCc1nn2c(=O)cc(COc3ccc(C=C(C#N)c4nc5ccccc5[nH]4)cc3OC)nc2s1 2297350793 VJODQZWJWZFRNW-UHFFFAOYSA-N 498.568 4.632 50 10 JJGE BrC[C@@H]1C[C@@H]2CC[C@H]1N2Cc1ccc(I)c(Br)c1 2325229724 KBIMHLAYZBNDSE-COPLHBTASA-N 485.001 4.802 50 10 JJGE Cn1nc(Br)c(Br)c1[C@H](Br)Cc1c(F)cccc1F 2338689919 AJIAABRMMBNMNO-SSDOTTSWSA-N 458.926 4.902 50 10 JJGE COc1ncc(Br)c(C)c1COC1(CI)CCCCC1 2368208340 VQMVJJWSAQDQTG-UHFFFAOYSA-N 454.146 4.816 50 10 JJGE CC[C@H](C)c1ccc(S(=O)(=O)N[C@H](CCBr)COCc2ccccc2)cc1 2369430680 HCPGCBVVYHXLFF-FXAWDEMLSA-N 454.430 4.849 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2CC[C@H]1[C@@H](Br)C2 2377485048 OZMGGYJOTVTBGA-HERUPUMHSA-N 466.011 4.529 50 10 JJGE COc1cccc(/C=N/NC(=O)c2cc(Br)ccc2OCc2ccccc2)c1O 27528074 UICXZTMIRGTGIP-ZMOGYAJESA-N 455.308 4.506 50 10 JJGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1Cl 38650988 SNSFCFFOCFJRRX-DEOSSOPVSA-N 462.889 4.551 50 10 JJGE COc1ccc(C(=O)N/N=C2/C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)cc1 59167143 YPQXYOOGXGXVOR-URGPHPNLSA-N 461.521 4.966 50 10 JJGE Cc1cc(C)c(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c(Br)c1 97136646 MCAMIKLBGJWCNN-VULFUBBASA-N 481.346 4.814 50 10 JJGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)NC)cc1 101240656 MFPYMNCPFMAFOI-WDUNQMNWSA-N 476.385 4.564 50 10 JJGE O=c1[nH]c2cc(Br)c([C@@H](Cl)c3ccccc3I)cc2[nH]1 109883840 PRCVPDSTVYLZNH-ZDUSSCGKSA-N 463.500 4.552 50 10 JJGE C[C@H]1CCC[C@](CBr)(NS(=O)(=O)c2cc(Cl)c(Br)s2)C1 136579201 LLPGLTJIWLBYCB-UFBFGSQYSA-N 465.660 4.786 50 10 JJGE N#C/C(=C/NCCCc1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216511172 LLTIVGWWXKFEFI-COOPMVRXSA-N 464.613 4.550 50 10 JJGE N#C/C(=C/N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)NC1CCCCCCCCCCC1 217260121 JFIINXLJFWSHGS-FLFQWRMESA-N 480.653 4.730 50 10 JJGE COc1ccc(OCC(=O)NN=Cc2cc(OCc3ccccc3)ccc2Br)cc1 252627986 SFQDROZSGAUNPK-UHFFFAOYSA-N 469.335 4.566 50 10 JJGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=Cc1cccs1 254624156 YPRYPTLRQNADKM-UHFFFAOYSA-N 480.640 4.630 50 10 JJGE COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(C(C)C)cc2)c1 254762152 AAZCYJNLNOVAOI-FAWRTBKGSA-N 471.557 4.748 50 10 JJGE O=C(N[C@@H]1CCC[C@H](CBr)C1)c1cc(Br)ccc1Br 306103025 QQPOYFMBYJGXOC-GXSJLCMTSA-N 454.000 4.895 50 10 JJGE COc1cc(C)c(Br)cc1[C@H](Br)c1cnn(C)c1Br 379142479 BIIVJFZCYGMBOQ-LBPRGKRZSA-N 452.972 4.746 50 10 JJGE BrCc1ccc(Br)cc1N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 404217517 ZVOUDWTXGJEZQD-RTWAWAEBSA-N 480.244 4.824 50 10 JJGE C[C@H]1CCCN(C(=O)c2cc(Br)sc2Br)[C@@H]1CBr 688621885 HYOJXBVHQAGNMQ-IONNQARKSA-N 460.029 4.909 50 10 JJGE CC[C@H]1[C@H](CBr)CCN1C(=O)c1scc(Br)c1Br 705423054 CWNAYXHGYQQONI-CBAPKCEASA-N 460.029 4.909 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CCS[C@H](CCBr)C1 719997598 AXOLESJQSLAJLE-SSDOTTSWSA-N 478.069 4.616 50 10 JJGE CN(CC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(CCl)sc1Br 720026319 OUOUOMMOJKYIEM-UHFFFAOYSA-N 491.904 4.782 50 10 JJGE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(Cl)cc1Br 1168061890 WLOQLRKGFIUSHG-CYBMUJFWSA-N 453.164 4.582 50 10 JJGE C=C[C@](C)(CCOC)C(=O)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1 1624238155 HKWQMAFENQJHKR-MUUNZHRXSA-N 458.558 4.922 50 10 JJGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745593 BXMJWANBCHBBLO-UHFFFAOYSA-N 466.881 4.872 50 10 JJGE Cc1cccnc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747461 IFSDWBYNEYVUPO-UHFFFAOYSA-N 481.896 4.576 50 10 JJGE CCN1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)CC1 1772747818 RQRPHLCCTGTWRQ-UHFFFAOYSA-N 484.600 4.503 50 10 JJGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865686602 YFAKATBIHLLDDR-NRFANRHFSA-N 455.905 4.814 50 10 JJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)cc1OCC 1865688175 MCJBCVRTHBVSMQ-XMMPIXPASA-N 460.534 4.595 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)c1OC 1865701214 PCPIXVBBXMEHMN-IBGZPJMESA-N 457.317 4.723 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)c(OC)c1 1865707986 LDLKOMQPVYWCFH-GOSISDBHSA-N 490.869 4.839 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)c1 1865711528 ASWQGIQPOILZFS-KRWDZBQOSA-N 460.843 4.830 50 10 JJGE CC[C@](C)(NC(=O)Cc1nc(-c2cccc(C)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866649026 WOFWGNKRTALYBA-VWLOTQADSA-N 462.575 4.998 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)C[C@@H]2CCCCO2)cc1 1867257301 SMEKNJUMHZVUMT-UNMCSNQZSA-N 469.632 4.576 50 10 JJGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N(C)CCc3cnc[nH]3)n2)c1 1868505523 HJRWVXFPAUXZPR-UHFFFAOYSA-N 457.563 4.871 50 10 JJGE Cc1cc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)ccc1F 1873921098 VAEXBXBSDMWYQJ-XLNRJJMWSA-N 466.494 4.952 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCc2cccc(Cl)c2Cl)C1 1901219562 XUEUCIXBPVASLU-CHWSQXEVSA-N 472.150 4.933 50 10 JJGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cscc1Br 1915081455 GQGKZNQFKXJAAX-CYBMUJFWSA-N 467.248 4.875 50 10 JJGE CC(C)(C)OC(=O)NCCCN(C[C@H]1C[C@H]1Br)c1cccc(Br)c1 2020230373 NBMGEMYSMSUTLI-CZUORRHYSA-N 462.226 4.954 50 10 JJGE CCOc1ccc(C=C(C#N)C(=O)Nc2ccccc2I)cc1Br 2053623183 KEBPCGMVCRAJIH-UHFFFAOYSA-N 497.130 4.998 50 10 JJGE O=C(c1sccc1I)N1CCC2(CCC(Br)CC2)C1 2099800215 OXRDXAHOGXRMRC-UHFFFAOYSA-N 454.171 4.523 50 10 JJGE C[C@H]1CC[C@@H](CBr)N(C(=O)c2ccc(I)c(Cl)c2)C1 2110615197 DLIXWAMUZPOZHZ-ONGXEEELSA-N 456.549 4.580 50 10 JJGE COc1c(C)cc(Br)cc1[C@@H](Br)c1c(Br)cnn1C 2141620467 HQBGWFLAKXDVAH-LLVKDONJSA-N 452.972 4.746 50 10 JJGE CC(C)(C)OC(=O)Nc1cccc([S@](C)(=O)=NC(=O)[C@H](Br)C2CCCC2)c1 2167034161 VOOPBHDMEPVRDW-JWIGPWBQSA-N 459.406 4.971 50 10 JJGE Fc1cc(Br)cc(N2CC[C@@]3(CN(Cc4ccccc4)CCO3)C2)c1CCl 2170692793 UPEJMKFMSLKOKU-OAQYLSRUSA-N 453.783 4.808 50 10 JJGE Cc1sc(CBr)cc1S(=O)(=O)N(C)C[C@@H]1CCCCN1Cc1ccccc1 2179824088 QQSQNNJZTXIKCT-SFHVURJKSA-N 471.486 4.627 50 10 JJGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2CCC[C@H](C1)C2Cl 2207271973 MHTAZVYWKRXCSU-XFLKPENQSA-N 468.560 4.533 50 10 JJGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)Cc1ccccc1Br 2213761566 YESPDLFKFYEYFA-OAHLLOKOSA-N 475.246 4.955 50 10 JJGE O=C(c1cc(Br)ccc1I)N1C[C@@H](Br)CCC12CC2 2227507387 WCYIHSPONIYXPS-JTQLQIEISA-N 498.984 4.586 50 10 JJGE N#CC(=Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 2297551690 ZKGFJPLEFVRAOE-UHFFFAOYSA-N 492.831 4.921 50 10 JJGE N#CC(=Cc1cn(Cc2ccccc2F)c2ccc(Br)cc12)C(=O)NC[C@@H]1CCCO1 2313624395 RMNFKBJGPPCGDW-FQEVSTJZSA-N 482.353 4.793 50 10 JJGE CCN[C@H](c1c(C)cc(Br)c(OC)c1Br)[C@@H]1C[C@@H]1Br 2339650929 KJJVBANZBHIYDL-ZDMBXUJBSA-N 456.016 4.963 50 10 JJGE CCCCCCOc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14032706 MKIZPFDCOKLDAB-UHFFFAOYSA-N 459.546 4.973 50 10 JJGE CC(C)c1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 14040273 XXGWFHPFNMRSJX-INIZCTEOSA-N 477.399 4.690 50 10 JJGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 14768816 QNGFBXCKHVBBIO-VWLOTQADSA-N 473.573 4.957 50 10 JJGE CCCCN1C(=O)/C(=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)c2cc(OC)ccc21 38180342 FNYBVLLXTPHWAO-HPNDGRJYSA-N 478.376 4.828 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(Br)c(OCC)cc2OCC)cc1 58894680 VPSRRFDQKJCKGO-PXMCARDJSA-N 493.398 4.609 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc(OC)c1OC 205651252 BAJCWVBGVYOJAL-ILNCKUNBSA-N 484.508 4.549 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H](Br)C1)c1cc(Br)cc(Br)c1 227761071 JDDXMKNZBJBJOJ-MWLCHTKSSA-N 454.000 4.895 50 10 JJGE C[C@H]1CCC[C@](CCl)(NC(=O)c2cc(I)ccc2Br)C1 235631548 SGGVRKWYJHCTJR-BONVTDFDSA-N 470.576 4.971 50 10 JJGE COc1ccc(CSCC(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 254623654 CIOMNAVXUKLTRH-UHFFFAOYSA-N 465.531 4.566 50 10 JJGE O=C(NN=Cc1ccccc1OC(F)F)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 254714938 ZYKQEKXPBXIVTK-UHFFFAOYSA-N 479.892 4.506 50 10 JJGE COc1cc(C=NNC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n[nH]2)cc(OC)c1OC 254878889 DUFFXGSYZNUNRJ-UHFFFAOYSA-N 456.502 4.533 50 10 JJGE CC(C)N(C[C@@H](C)Br)C(=O)c1cc(I)ccc1Br 691342658 GIFRWTIIVNXKOG-SECBINFHSA-N 488.989 4.688 50 10 JJGE CC(CCc1ccccc1)=NNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 725390491 OKRLZMQORIWRPJ-UHFFFAOYSA-N 484.021 4.969 50 10 JJGE O=C(COc1ccc2ccccc2c1Br)NN=Cc1ccc(Br)cc1 1084045062 HEIYGSDMZLKBAM-UHFFFAOYSA-N 462.141 4.894 50 10 JJGE CC(C)c1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 1084223323 DZJCUVOQSWMNNL-UHFFFAOYSA-N 492.963 4.570 50 10 JJGE C=CCc1cc(C(=O)NNc2cccc(OC(F)F)c2Br)cc(OC)c1OC 1303438978 QZDPHEUFUAOWMR-UHFFFAOYSA-N 457.271 4.553 50 10 JJGE C=CCOCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1C 1540161925 IZTDXFFOVRXWBU-GZTJUZNOSA-N 451.876 4.992 50 10 JJGE CC(=O)c1cccc(OCCCC(=O)NNC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1 1556340116 FDOGVYCFIGFFDZ-UHFFFAOYSA-N 458.729 4.861 50 10 JJGE N#CSc1ccc(NC(=O)C2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)cc1 1860592245 VURJPUGPROVURP-UHFFFAOYSA-N 464.374 4.823 50 10 JJGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684591 SNPICMZAHFHMGR-LJQANCHMSA-N 453.315 4.614 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)cc1OC 1865695982 WDGUDRQPAIPMDM-NRFANRHFSA-N 495.377 4.823 50 10 JJGE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696221 KVWDWWQFBUAPCE-IBGZPJMESA-N 471.742 4.580 50 10 JJGE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705656 BDQKGMNKOHETOD-IBGZPJMESA-N 456.289 4.673 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706199 QCEKUWOGNXVATO-XMMPIXPASA-N 480.524 4.539 50 10 JJGE CCOc1cc(C(=O)NNC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)cc(OCC)c1OCC 1865757016 JMLNMBRXFILKNM-UHFFFAOYSA-N 499.514 4.606 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(NS(C)(=O)=O)cc3)n2)c(C)c1C 1872753788 MXLIDYQMWOQEMQ-UZYVYHOESA-N 455.561 4.757 50 10 JJGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1cscc1Br 1915100163 BURVXICZVNAORG-GFCCVEGCSA-N 467.248 4.875 50 10 JJGE O=S(=O)(c1cc(F)c(Cl)c(CBr)c1)N(Cc1ccccc1)CC(F)F 2059314613 NQGCKUFXOIYNCO-UHFFFAOYSA-N 456.711 4.830 50 10 JJGE Clc1ccc(I)c(CN2CCC3(CC2)C[C@@H]3CBr)c1 2092482475 VQFZPZQAXSGWHR-GFCCVEGCSA-N 454.577 4.942 50 10 JJGE O=S(=O)(c1ccc(CCl)cc1Br)N1CCC[C@@H](OCc2ccccc2)C1 2129814515 OQKJCLCQOQOFNH-QGZVFWFLSA-N 458.805 4.558 50 10 JJGE COc1ccc([C@H](Br)c2c(Br)nn(C)c2C)c(Br)c1 2131590586 QYOHFNYHKAFSOK-LBPRGKRZSA-N 452.972 4.746 50 10 JJGE O=C(NC[C@@]12CCC[C@]1(CBr)C2)c1cc(Br)c(Br)s1 2142939570 HZLYVVLJQRSKAF-OLZOCXBDSA-N 472.040 4.958 50 10 JJGE O=C(NC[C@H]1CCCC[C@H](Cl)C1)c1ccc(I)c(Br)c1 2163747604 CWJHFAYZASQWGC-JQWIXIFHSA-N 470.576 4.971 50 10 JJGE CC(C)(C)[C@H]1C[C@H](CBr)CN(C(=O)c2sccc2I)C1 2165001428 LCGKULILUDNCGJ-MNOVXSKESA-N 470.214 4.872 50 10 JJGE Cc1cccc(C(=O)NCC[C@H]2CCCC[C@H]2Br)c1I 2179634760 JAUHAQIPNHDDTD-TZMCWYRMSA-N 450.158 4.673 50 10 JJGE Fc1cc(Br)cc(N2CC[C@H]3COC[C@@H](C2)N3Cc2ccccc2)c1CCl 2204526912 PLOOCRJYIGVFFB-ZWKOTPCHSA-N 453.783 4.807 50 10 JJGE C[C@@]1(CNC(=O)c2ccc(I)c(Cl)c2)CCC[C@H]1Br 2271298372 QYVBELIIIKWHIN-OCCSQVGLSA-N 456.549 4.628 50 10 JJGE C=CC[C@@]1(CCl)CCN(C(=O)c2cc(Br)ccc2I)C1 2287744571 GYZPQMOKFYOFJW-HNNXBMFYSA-N 468.560 4.701 50 10 JJGE C[C@H]1C[C@@H](CBr)CN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295307072 DYTGLTJZPXQZMC-JQWIXIFHSA-N 468.027 4.634 50 10 JJGE Cc1ccc(-c2ccc(C=C(C#N)C(=O)Nc3sc4c(c3C(N)=O)CCCC4)o2)c([N+](=O)[O-])c1 2296836375 AEQLZDLLQHJDKM-UHFFFAOYSA-N 476.514 4.748 50 10 JJGE CN(C)C=C(NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2297497934 KFAFRLYCTNPHJI-UHFFFAOYSA-O 451.530 4.771 50 10 JJGE O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)NN=CC=Cc1ccccc1 2297510310 YVTYIMWIWNKJFZ-UHFFFAOYSA-N 484.541 4.750 50 10 JJGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(F)ccc1Br 2303544840 JERDRCYCZUZCKT-OAHLLOKOSA-N 459.153 4.688 50 10 JJGE C[C@H](NC(=O)c1cc2ccc(OC(=O)C(C#N)=Cc3ccccc3)cc2oc1=O)c1ccccc1 2314751084 OENGBXKFCQVWDR-SFHVURJKSA-N 464.477 4.797 50 10 JJGE C[C@@H](NC(=O)C(C#N)=CNCCc1cccc(Br)c1)C12CC3CC(CC(C3)C1)C2 2318469259 TXAXVRLDZBUFRO-SGGRRFJASA-N 456.428 4.710 50 10 JJGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(F)c(F)c4)cs3)cc2C1=O 2331351749 VGSOLXYXIKIXMQ-UHFFFAOYSA-N 481.480 4.671 50 10 JJGE C=CC[C@@H](Br)[C@H]1CCN1C(=O)c1cc(Br)ccc1I 2335811103 RDOULPPGWORLGY-DGCLKSJQSA-N 498.984 4.608 50 10 JJGE CC(C)C[C@H](CBr)CN=[S@@](=O)(C(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2353823829 GMEAVWDRNURGTN-COLOXBMXSA-N 453.487 4.929 50 10 JJGE COc1ccc(/C=N/NC(=O)c2ccoc2C)cc1COc1ccc(C(=O)OCC(C)C)cc1 1496966 DLZMWROYLSNRDK-MZJWZYIUSA-N 464.518 4.752 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OC 14151750 NKUFZUSLCZVODQ-NTUHNPAUSA-N 472.364 4.824 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2ccccc2Cl)c(C(C)(C)C)c1 14661706 GWCVSJCEUOMGQO-UHFFFAOYSA-N 488.028 4.880 50 10 JJGE C[C@H](C(=O)Oc1ccc(/C=C(/C#N)c2ccc(Cl)cc2)cc1)N1C(=O)c2ccccc2C1=O 31901335 QHCVYVSGNGARPG-BAACNHRGSA-N 456.885 4.994 50 10 JJGE COc1ccc(/C(C)=N\NC(=O)COc2ccc3ccccc3c2Br)c(OC)c1 35297267 NOSDPOZHGRLBOJ-OYKKKHCWSA-N 457.324 4.539 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCOCC2)cc1Cl 35447372 SQQPFBOWVPPABD-HKWRFOASSA-N 476.964 4.747 50 10 JJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1OC 38680813 BCVFGOLEFPVIPL-AREMUKBSSA-N 484.508 4.706 50 10 JJGE C[C@@H](Cl)C(=O)Nc1c(Br)cc(Br)c2c1C(=O)c1ccccc1C2=O 39899501 GPPLWLPYKCKDCN-SSDOTTSWSA-N 471.532 4.553 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCc1ccccc1 40147175 VLWJCVUEAXMQJG-AREMUKBSSA-N 464.525 4.987 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-])c1cccc(Cl)c1 40591526 BSCBSNJAUBTOCB-UHFFFAOYSA-N 453.673 4.846 50 10 JJGE Cc1ccc(C2=CS/C(=C(\C#N)C(=O)N3CCN(C(=O)C4CC4)CC3)N2c2ccc(C)cc2)cc1 97634503 PTWRAQGSANDOJT-ZZIIXHQDSA-N 484.625 4.671 50 10 JJGE COc1ccc([C@H](C(=O)NC2CCCCC2)N(CCc2ccc(C)cc2)C(=O)CCl)cc1 97914333 MDZFMBJCACGTPF-RUZDIDTESA-N 457.014 4.804 50 10 JJGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C1=O 101335216 FUBXMVAMLVICNE-YZSQISJMSA-N 488.547 4.931 50 10 JJGE CCOC(=O)c1ccccc1NC(=O)[C@@H](Br)[C@H](Br)c1ccccc1 101642813 COJIMHIKKDVVEW-CVEARBPZSA-N 455.146 4.702 50 10 JJGE O=C(NC[C@H]1CCCC[C@@H]1Br)c1cc(Br)c(Br)s1 123234670 NMCHYGIGTFNPGO-SFYZADRCSA-N 460.029 4.957 50 10 JJGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)c1 214205737 RYRAWDPWWKSSDP-JLPGSUDCSA-N 466.541 4.940 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N(CCBr)C1CCCC1 232347952 YGEMPEJLHFHRMC-UHFFFAOYSA-N 456.549 4.724 50 10 JJGE O=C(NC[C@@H]1CCC[C@H]1CBr)c1cc(Br)cc(Br)c1 232480795 RNAMBAUUMVMEIM-UWVGGRQHSA-N 454.000 4.753 50 10 JJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cc(C)ccc3C(C)C)cc2OC)cc1 254625882 WQLMRELSVRNDIH-UHFFFAOYSA-N 490.556 4.884 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CCC(F)(F)[C@H](CBr)C1 403919521 RMGXJZYRZSXAAW-ZCFIWIBFSA-N 481.982 4.765 50 10 JJGE FC(F)(F)c1cnc(N2CCC[C@H]2CCCBr)c(I)c1 686112583 IQJJRNHSQVBRMA-SNVBAGLBSA-N 463.079 4.849 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CC[C@H]2CC[C@@H](Br)[C@H]1C2 721563425 FGXBMNDAQCQAFW-GAJTVXKRSA-N 468.560 4.723 50 10 JJGE CN(C)c1ccc(C=NNC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 1084265596 DICZUOXEWCKQGA-UHFFFAOYSA-N 465.351 4.531 50 10 JJGE CC(=O)c1ccc(OCCCC(=O)NNC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1 1625995258 NDMLGAHVVVXUFU-UHFFFAOYSA-N 458.729 4.861 50 10 JJGE C=CC[C@H](CO)NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1C 1635396497 AWQZGURXZWTJGE-VHEJECIDSA-N 451.876 4.727 50 10 JJGE Cc1c(C(=O)NCc2cccnc2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747371 AZOWXQFWSYZBTQ-UHFFFAOYSA-N 492.579 4.902 50 10 JJGE COc1cc(C(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)cc(OC)c1OC 1858898173 KQNKWCSRXYGFLT-UHFFFAOYSA-N 493.541 4.826 50 10 JJGE CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1 1865683494 KVTJGCYIVIUXGO-GOSISDBHSA-N 473.886 4.888 50 10 JJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(OC)c1O)C(C#N)=C(N)O2 1865683691 IHIJGYVGZMLBGU-SFHVURJKSA-N 457.317 4.674 50 10 JJGE COc1cc(/C=N\NC(=O)c2ccc(-c3ccc(C)cc3)nc2C)cc(Br)c1O 1865761287 HDUDNTOSODFBIN-MSXFZWOLSA-N 454.324 4.606 50 10 JJGE CSCC[C@H](NC(=O)c1cc(C)n(-c2cccc(C)c2)n1)C(=O)Nc1ccc(SC#N)cc1 1866846982 JKQJCYRSBGZGIA-NRFANRHFSA-N 479.631 4.553 50 10 JJGE N#C/C(=C(/O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(F)c(F)c2)cs1 1872751372 DSXFYSQGNDXKEV-QNGOZBTKSA-N 470.457 4.783 50 10 JJGE CC1(C)CN(C(=O)c2cccc(Br)c2Br)C[C@@H]1CBr 1914531060 IGUWLPIDSPHUOW-VIFPVBQESA-N 454.000 4.705 50 10 JJGE COc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc(CBr)c1OC 1984637119 HHKQXAYIRNRIMQ-UHFFFAOYSA-N 490.419 4.990 50 10 JJGE CN(CC(C)(C)CBr)C(=O)c1ccc(I)c(Br)c1 2033564933 BOSJRRNYDQFPAB-UHFFFAOYSA-N 488.989 4.547 50 10 JJGE CC[C@H](C)[C@H](CI)NC(=O)c1ccc(Br)cc1Br 2081237522 YJSZZSHLZWQRGH-UFBFGSQYSA-N 488.989 4.791 50 10 JJGE COCC12CC([C@@H](Br)c3cc(Br)sc3Br)(CO1)C2 2085223331 YDMLQATXJJRLRD-GCVQQVDUSA-N 461.013 4.905 50 10 JJGE O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N1CC[C@@H](OCc2ccccc2)C1 2123254810 QBHOCKSUZGIMMA-CQSZACIVSA-N 479.223 4.868 50 10 JJGE O=S(=O)(Cc1ccc(Br)cc1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2218988257 XGSKAYQKSVSGCT-IBGZPJMESA-N 487.257 4.955 50 10 JJGE C[C@H]1[C@H](Br)C[C@@H](C)CN1C(=O)c1cc(Br)cc(Br)c1 2227593295 CLLLBBJUYFMXRZ-VYUIOLGVSA-N 454.000 4.846 50 10 JJGE C[C@@H]1C[C@@H](Br)[C@@H](C)N(C(=O)c2cccc(Br)c2Br)C1 2227600353 MTPQPCDUJLHCRM-KBVBSXBZSA-N 454.000 4.846 50 10 JJGE O=C(c1sccc1I)N1[C@H](CBr)C[C@H]2CCCC[C@@H]21 2232020789 UAUOJNJJXNWXNP-SCVCMEIPSA-N 454.171 4.521 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H](Br)C1)c1ccc(Cl)c(I)c1 2268349994 ROQRQTSRXKGOJN-MWLCHTKSSA-N 456.549 4.628 50 10 JJGE C[C@H]1[C@@H](Br)CCCN1C(=O)Cc1cc(Br)cc(Br)c1 2277936036 KHYBDCUOUHJRLR-ZANVPECISA-N 454.000 4.529 50 10 JJGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CO[C@H]2COC[C@@H]12 2288343947 DLBNDYXXGQBDJU-LFLRCTCGSA-N 476.937 4.587 50 10 JJGE COCCCN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)C(C)=C(C#N)C1=O 2314618587 QCJCPTGUBGLPEK-UHFFFAOYSA-N 480.948 4.556 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2cccc([N+](=O)[O-])c2)cc1C 2321680338 GWYDQJZRIDNQAU-UHFFFAOYSA-N 455.474 4.528 50 10 JJGE CC(C)[C@@H]1C[C@H](Br)CN1C(=O)c1cc(Br)ccc1Br 2344609923 AJUNXXHUBGEBGI-GWCFXTLKSA-N 454.000 4.846 50 10 JJGE COc1c(Br)cc(C)c([C@@H](Br)C2(S(C)(=O)=O)CC2)c1Br 2365193993 NDKMKLNHSUXBQR-GFCCVEGCSA-N 491.039 4.542 50 10 JJGE FC(F)(F)[C@@H]1C[C@@]1(CCl)CNCc1ccc(I)c(Br)c1 2377314474 GNHIXSPZXPKOSL-VXGBXAGGSA-N 482.509 4.951 50 10 JJGE N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cc(Br)ccc2F)[C@H]2CN(Cc3ccccc3)CC=C12 989031 WIDKRPLOYROFNZ-GMAHTHKFSA-N 488.364 4.514 50 10 JJGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 10683683 JHYGJMHLHPPQMN-KDOFPFPSSA-N 497.817 5.000 50 10 JJGE CSc1ccc(/C=N/NC(=O)COc2c(C)cc(Br)cc2Br)cc1 12483005 GVTRZIREJKDTMV-AWQFTUOYSA-N 472.202 4.771 50 10 JJGE CCCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c(OCCC)c1 20595451 VZTLTBNVALRPPT-DTVDJLOLSA-N 463.372 4.944 50 10 JJGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccc(F)cc1 32522820 JZHWGULFXNYJPC-LGJNPRDNSA-N 464.522 4.532 50 10 JJGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)c1 38684946 PLYBETLKPAPDPB-MHZLTWQESA-N 470.525 4.905 50 10 JJGE CCOc1ccc(/C=C(\C#N)C(=O)N(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 40977728 VOUFRUBBKIGZNE-LTGZKZEYSA-N 476.554 4.731 50 10 JJGE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/C=N/NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 59146701 AHSTVZRCZZEIFG-VXHUXDJESA-N 476.320 4.622 50 10 JJGE CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1C 97657780 FSKONYOYPZTIEI-VUQQOUJSSA-N 464.591 4.662 50 10 JJGE COc1cc(OC)c([C@@H](Br)c2cccc(I)c2)c(OC)c1 109849260 BJPLSEHAQPTDPH-INIZCTEOSA-N 463.109 4.801 50 10 JJGE O=C(NNc1ccc(F)c(F)c1F)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 110784494 DWLIKXCHTWAASX-UHFFFAOYSA-N 489.397 4.680 50 10 JJGE CCO[C@H]1[C@@H](Oc2cc(Br)c(OC)cc2Br)C[C@H]1Br 229355267 LPZISYRXHNSDDR-JIMOISOXSA-N 458.972 4.540 50 10 JJGE O=C(NC1CCC(CBr)CC1)c1cc(Br)ccc1Br 382349737 FRBHEYIQTWCABC-UHFFFAOYSA-N 454.000 4.895 50 10 JJGE Oc1ccc(Br)cc1[C@H]1CN(Cc2ccccc2)C[C@H]1CI 382728886 SPBPFHWNDVAYOY-PBHICJAKSA-N 472.164 4.805 50 10 JJGE CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CCl)sc1Br 388416656 PNVLLFWNMPTDIE-OAHLLOKOSA-N 477.877 4.535 50 10 JJGE O=C(CBr)c1c(I)ccc(Br)c1C(F)(F)F 575696647 UZWBNYUQPCGAOM-UHFFFAOYSA-N 471.836 4.650 50 10 JJGE O=C(NC1(CCBr)CCCC1)c1cc(Cl)ccc1I 687278514 DKTFNQWNYFCWHT-UHFFFAOYSA-N 456.549 4.772 50 10 JJGE CC(C)N(C[C@@H](C)Br)C(=O)c1cc(Br)ccc1I 691345892 YIELMYCNDXQJOZ-SECBINFHSA-N 488.989 4.688 50 10 JJGE CCn1ccnc1COc1c(Br)cc(CBr)cc1Br 707972297 MLAGLOINWFIFBG-UHFFFAOYSA-N 452.972 4.902 50 10 JJGE C[C@@H](CCl)[C@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 721615832 DSFCTLOEWIHIBZ-IINYFYTJSA-N 470.576 4.923 50 10 JJGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NNC(=O)c1ccccc1Br 1084371281 IUWNNEJQHVMEPD-UHFFFAOYSA-N 466.383 4.697 50 10 JJGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1cccc([N+](=O)[O-])c1 1084647594 QARHYBSTVZFJOW-RUZDIDTESA-N 473.529 4.866 50 10 JJGE C=C(C)CN(Cc1ccc(CO)o1)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OC)cc2)c1C 1635188034 RQFRMNFRURYIEU-XKZIYDEJSA-N 459.546 4.700 50 10 JJGE CCOC(=O)c1c(NC(=O)NN=Cc2ccc(OC)c(Br)c2)sc2c1CC[C@@H](C)C2 1772752791 YRFZWOIEXRLFRT-GFCCVEGCSA-N 494.411 4.976 50 10 JJGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cn(C)c3ccccc13)C(C#N)=C(N)O2 1865699140 LXRLOJJTIWFVNF-JOCHJYFZSA-N 461.928 4.996 50 10 JJGE COc1cc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)ccc1OCc1ccccc1 1873795560 QHVLKJBQHDDPDF-MTDXEUNCSA-N 469.582 4.809 50 10 JJGE O=C(NCC[C@@H]1CCC[C@@H]1Br)c1ccc(Br)cc1Br 1913719958 AKDVKAZJCOBAEY-CABZTGNLSA-N 454.000 4.895 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(OC2CCC(F)(F)CC2)CC1 1995724603 MVCYLUBEJHAOJF-UHFFFAOYSA-N 459.315 4.786 50 10 JJGE CC1(C)C[C@@H](Cl)CCN1C(=O)c1cc(Br)ccc1I 2113593884 OQZVMTFVTIQWSP-JTQLQIEISA-N 456.549 4.676 50 10 JJGE O=C(NC[C@@]1(CCl)C[C@@H]1C(F)(F)F)c1scc(Br)c1Br 2192573199 PDGYYKSMADJVSQ-WKEGUHRASA-N 455.521 4.810 50 10 JJGE O=S(=O)(c1ccc(OC(F)(F)F)cc1)N(CCCBr)Cc1ccccc1 2227670034 KJJWAQBJTALMQS-UHFFFAOYSA-N 452.292 4.561 50 10 JJGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@H](Br)CC12CCCC2 2241033017 WDEDFWRWJHKMDT-MRVPVSSYSA-N 463.644 4.635 50 10 JJGE C=CC[C@@]1(CBr)CCCN(C(=O)c2csc(I)c2)C1 2272179085 JWCRKGIFBODKQJ-AWEZNQCLSA-N 454.171 4.546 50 10 JJGE O=S1(=O)C[C@@H]2[C@H]([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)[C@@H]2C1 2314440614 QWXFHYLQYKBBQD-UKBAYJJMSA-N 486.225 4.755 50 10 JJGE O=C(N[C@H]1C[C@@H](CBr)C12CCC2)c1cc(Br)sc1Br 2351630922 FYWGAQKEYDKUJH-CBAPKCEASA-N 472.040 4.957 50 10 JJGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3c(Br)ncn3C)c2O1 2362433636 YTTIATPQEHSJMX-CPCISQLKSA-N 464.983 4.753 50 10 JJGE CN(CC[C@H](Br)c1cccs1)S(=O)(=O)c1ccc(Br)s1 2366236725 HDHPPVHCSMSSHK-VIFPVBQESA-N 459.250 4.719 50 10 JJGE CCCOc1ccc(C(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1Br 14647394 BADAALPTUJCRNN-UHFFFAOYSA-N 463.372 4.738 50 10 JJGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccccc1 14648293 BZGXACYCPVUYQA-UHFFFAOYSA-N 490.398 4.588 50 10 JJGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)cc1 33249085 LABMQVHGQCWKGJ-VKAVYKQESA-N 456.889 4.994 50 10 JJGE CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc1OC 33410104 OTHDKZGZPNKFGI-JYRVWZFOSA-N 482.705 4.898 50 10 JJGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1 38649350 SINKWZYNFIOVBM-JOCHJYFZSA-N 461.861 4.994 50 10 JJGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1 38682195 LIHOVLISINSMJD-RUZDIDTESA-N 458.539 4.920 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1c(C)cccc1C 40870075 GAJDOEIRVNCLAC-OEAKJJBVSA-N 470.525 4.520 50 10 JJGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 40970833 OYNDVZJEIXRWLD-YLKAKTJCSA-N 452.510 4.502 50 10 JJGE C=C(C)c1cccc(C(C)(C)NC(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)c1 41013822 JOBQTOJSLRZDIV-PXLXIMEGSA-N 489.572 4.518 50 10 JJGE Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 59165597 AKSLVJBOMVYLSL-RDRPBHBLSA-N 468.557 4.741 50 10 JJGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1ccc(F)c(F)c1 59261914 OBHKJTXXDSYHHK-IPPBACCNSA-N 492.555 4.750 50 10 JJGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCCCC)cc2)c(OC)c1 103746690 GJGHGRXJKVYSSN-WAEYBMNLSA-N 460.530 4.702 50 10 JJGE CN1Cc2cc([C@@H](Br)c3ccccc3I)ccc2NC1=O 123305354 JPPZLTSWQPRKHA-OAHLLOKOSA-N 457.109 4.753 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H](Br)C1)c1ccc(Br)cc1Br 227754656 HQZAFJHORIOMEQ-NXEZZACHSA-N 454.000 4.895 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H]1CBr)c1ccc(Br)cc1Br 232467796 LZPLVWVIUZMTGB-ZJUUUORDSA-N 454.000 4.753 50 10 JJGE Cc1cccc(C(=O)N(CCBr)C2CCCCC2)c1I 235901108 OSIKIUWFCMFDTG-UHFFFAOYSA-N 450.158 4.769 50 10 JJGE O=C(COc1ccc(Cl)cc1Cl)NN=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 252626703 REAZODWADMVIRH-UHFFFAOYSA-N 488.283 4.650 50 10 JJGE COc1cc(C=NNC(=O)c2cc3c(s2)CC[C@H](C)C3)ccc1OCC(=O)N1[C@H](C)CCC[C@H]1C 254490891 IJAZJUMLNZEFSA-IPMKNSEASA-N 497.661 4.814 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=C/C=C/c3ccccc3)n2-c2ccc(OC)cc2)cc1 254532668 ZSUQEQLSMHTRAA-YZBVLJPJSA-N 499.596 4.859 50 10 JJGE Cc1cc(F)ccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382722438 OCGCCFAGJJAKJI-LPHOPBHVSA-N 453.295 4.921 50 10 JJGE Brc1cc2c(cc1[C@H](Br)c1nscc1Br)OCCO2 404775670 LCCIXNAJRGSJJN-NSHDSACASA-N 469.980 4.924 50 10 JJGE C[C@H]1CC[C@@H](CBr)CN1C(=O)c1cc(Br)sc1Br 688646732 SZCWUOGZBGFVJA-YUMQZZPRSA-N 460.029 4.909 50 10 JJGE CCC[C@@H](CCBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 716955645 QNRMYHCPAFYEKR-VIFPVBQESA-N 468.038 4.988 50 10 JJGE Cc1c(C)c(C)c(C(=O)c2ccccc2C(=O)NNC(=O)c2ccc(N(C)C)cc2)c(C)c1C 1088727784 FWTGDSILMGSVJE-UHFFFAOYSA-N 457.574 4.601 50 10 JJGE C#CCCCC(=O)NNC(=O)Nc1ccc(Br)c(OCCC2CCCCC2)c1 1674517524 DERVSZUYBDTBSF-UHFFFAOYSA-N 450.377 4.755 50 10 JJGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NCc5ccco5)c(C)c43)coc2c1C 1772751526 FEPZEWUAOZFQBL-UHFFFAOYSA-N 473.529 4.873 50 10 JJGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccccn1 1865687987 GESQOHJUTYXZMN-LJQANCHMSA-N 463.419 4.666 50 10 JJGE Cc1oc(-c2cccc(Cl)c2)nc1CC(=O)N[C@@H](C)C(=O)Nc1ccc(SC#N)cc1 1866663340 QXHCUCBTRAMGFM-ZDUSSCGKSA-N 454.939 4.563 50 10 JJGE CCC[C@@H](NC(=O)c1cc(C2CC2)n2nc(C3CC3)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867173529 AYVYCEIZPYOYJA-LJQANCHMSA-N 474.590 4.594 50 10 JJGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](C)N(CCCOC)[C@@H](C)C2)n1 1868388924 OYILTTLINZBPCW-OALUTQOASA-N 454.644 4.681 50 10 JJGE C[C@H]1CC[C@](CCl)(NC(=O)c2cc(Br)ccc2I)C1 1880880881 CNTCFLJMOAGSTI-XPTSAGLGSA-N 456.549 4.581 50 10 JJGE CN(c1ncc(I)cc1Br)C1(CCBr)CCC1 2025488791 MYYAOZDGWMEKMI-UHFFFAOYSA-N 473.978 4.593 50 10 JJGE O=C(c1csc(Br)c1Br)N1CC[C@@H](CBr)C12CC2 2070145668 CHTQJHOHWVCASC-ZETCQYMHSA-N 458.013 4.663 50 10 JJGE O=C(c1csc(Br)c1Br)N1CCC(F)(F)[C@H](CBr)C1 2093941765 BTVUQWLNGNLMDV-ZCFIWIBFSA-N 481.982 4.765 50 10 JJGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1cc(Br)cc(Br)c1 2104410112 CUMUDWVITAMGTC-HTEOGMQZSA-N 451.984 4.503 50 10 JJGE C[C@@H]1CN(C(=O)c2c(Br)cccc2Br)CC[C@H]1CBr 2109034711 USUVKORLAVIYAQ-ZJUUUORDSA-N 454.000 4.705 50 10 JJGE C[C@H](Br)CCCc1cn(-c2ccc(I)c(Br)c2)nn1 2132763300 MRMZMPLWQZVWPU-VIFPVBQESA-N 498.988 4.741 50 10 JJGE Clc1cc(CN2C[C@H]3CCC[C@]3(CBr)C2)ccc1I 2142943207 KKAMIARHHITYQV-DOMZBBRYSA-N 454.577 4.942 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1[C@H]2CCC[C@H](Br)[C@H]1CC2 2154105468 FHSFPBLHYPYBDT-COPLHBTASA-N 468.560 4.865 50 10 JJGE CC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(CBr)c2)CCN1Cc1ccccc1 2179788221 ZTFAHZOYFAKXSG-GOSISDBHSA-N 471.848 4.520 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC1CCC(C(F)(F)F)CC1 2217090739 LXJNTBSNTJUZKS-QOZQQMKHSA-N 465.294 4.843 50 10 JJGE O=C(N[C@@]1(CBr)C[C@H]2CC[C@H]1C2)c1cc(Br)c(Br)s1 2268624594 BNDZKXJLWNJTMH-UVPNAGLESA-N 472.040 4.957 50 10 JJGE N#CC(=Cc1c(Oc2ccccc2)nc2ccccn2c1=O)C(=O)Nc1cccc(Br)c1 2314534144 ZJWGCMAYPCDMRQ-UHFFFAOYSA-N 487.313 4.795 50 10 JJGE Cc1cc(Cl)ccc1O[C@H](C)C(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1 2314753316 ZLNRONZJRPFOHX-QGZVFWFLSA-N 464.905 4.838 50 10 JJGE CCCc1sc(Br)cc1[C@@H](Br)c1nn(C)nc1Br 2316188041 UUOUKSCOYWADLU-SECBINFHSA-N 458.017 4.838 50 10 JJGE COC[C@]12C[C@]([C@H](Br)c3sc(Cl)cc3I)(CO1)C2 2316597149 OCKAREAHSXMTCV-IJLUTSLNSA-N 463.562 4.638 50 10 JJGE CCN(C[C@@](C)(CI)OC[C@H]1C[C@H]2[C@@H](C1)C2(F)F)C(=O)OC(C)(C)C 2320844944 LNRPMAJCNXRGJP-VWPFQQQWSA-N 473.342 4.745 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)COc4ccc(Cl)cc43)n2)cc1 2331276534 KVSFAQNEQHHJDR-UHFFFAOYSA-N 453.907 4.690 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(S(C)(=O)=O)CC1 2339685625 HWSGOFASBRKEHH-LLVKDONJSA-N 479.003 4.672 50 10 JJGE CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 9873707 AFJXOYRFXVIPDP-OALUTQOASA-N 459.546 4.681 50 10 JJGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)c1 38678672 SROGEXUHPBRWGU-XMMPIXPASA-N 491.341 4.960 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1OCC 38679017 BCHWNGALHOWNGQ-AREMUKBSSA-N 486.524 4.930 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@@H]1c1ccccc1Cl 38687598 BNODFDXXHYMIOZ-QHCPKHFHSA-N 470.868 4.884 50 10 JJGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1Nc1cccc(Cl)c1Cl 40778650 HRFPMXZXVSWEIU-UHFFFAOYSA-N 468.142 4.629 50 10 JJGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1OCC 40927016 MOQUMXINGPNWQO-PDXKIULWSA-N 486.524 4.919 50 10 JJGE Cc1ccccc1OCC(=O)N/N=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 59165999 LNBVMTQWCHIYAS-NFFVHWSESA-N 468.340 4.748 50 10 JJGE CCOc1cc(/C=C(/C#N)c2nnc(-c3ccccc3)n2C)ccc1OCC(=O)Nc1ccccc1 108968541 RZSOIJRAADXCFA-JWGURIENSA-N 479.540 4.962 50 10 JJGE O=S(=O)(N[C@@H]1CCCCC[C@@H]1Br)c1cc(Cl)c(Br)s1 136201223 SYUKDTCIVOSDPF-IONNQARKSA-N 451.633 4.539 50 10 JJGE O=C(NC[C@H]1CCC[C@@H]1CBr)c1cc(Br)cc(Br)c1 232466404 RNAMBAUUMVMEIM-NXEZZACHSA-N 454.000 4.753 50 10 JJGE O=C(CSc1nnc(-c2ccc3ccccc3c2)n1-c1ccccc1)NNC(=O)c1ccccc1 253572477 QFNYZVGECQAUMN-UHFFFAOYSA-N 479.565 4.641 50 10 JJGE COc1ccc(-n2c(SCC(=O)NN=C/C(C)=C\c3ccccc3)nc3ccccc3c2=O)cc1 254848085 AKUKWWUDURRHHT-VPKMNEGTSA-N 484.581 4.692 50 10 JJGE CC(C)(C)OC(=O)NCCC[C@H]1C(=O)OC(=O)N1C(=O)OCC1c2ccccc2-c2ccccc21 309872891 HDWRWWXDRHOOTK-NRFANRHFSA-N 480.517 4.588 50 10 JJGE O=C(N[C@@H](CBr)C1CCCC1)c1cc(Br)cc(Br)c1 395414369 DTGNBUDWYIZPMJ-ZDUSSCGKSA-N 454.000 4.895 50 10 JJGE BrCc1ccc(N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)cc1Br 404199875 QRKGSPRNXSFRFM-RTWAWAEBSA-N 480.244 4.824 50 10 JJGE CN(C[C@@H]1CCC[C@H]1Cl)C(=O)c1cc(Br)ccc1I 689329839 FXUHKFMZGSMFFV-JOYOIKCWSA-N 456.549 4.533 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)OCCOc2ccccc2F)c(-c2ccc(Cl)cc2)n1 782091112 BKBABPPMCNQITP-NBVRZTHBSA-N 464.884 4.785 50 10 JJGE Cc1ccc(NC(=O)COC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c(C)c1 782092018 BEQFUSCSTAPREA-DEDYPNTBSA-N 487.947 4.823 50 10 JJGE CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2nnc(-c3ccccc3Br)o2)c1C 799418359 GCODQCDPPWKDRK-BOPFTXTBSA-N 469.339 4.978 50 10 JJGE C[C@H](CCc1ccc2c(c1)OCO2)OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 920168725 BBCWNMKFEAMQCU-QTCOBDOFSA-N 468.513 4.664 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1 1083923292 ZUYNKISRNCNXKP-UHFFFAOYSA-N 473.758 4.599 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)COc2cc(C)ccc2C(C)C)cc1 1084557576 YGEFKEWFHSASMS-UHFFFAOYSA-N 480.586 4.724 50 10 JJGE O=C(NN=C1c2ccccc2C[C@@H]1NC(=O)c1cccc(Cl)c1)Nc1ccc(Cl)cc1 1088700590 NOMAZPXOGYBTCA-FQEVSTJZSA-N 453.329 4.874 50 10 JJGE C/C(=C\C(=O)NNC(=O)COc1ccc(OCc2ccccc2)cc1)c1cccc(Cl)c1 1290185694 IGJRYVNXEUZDQB-NBVRZTHBSA-N 450.922 4.549 50 10 JJGE CCOc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)cc1OCC 1614620816 HKYJUBKDQAGSIS-HOTGVXAUSA-N 475.367 4.870 50 10 JJGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751109 IHEPPYXDDTZWJB-UHFFFAOYSA-N 473.920 4.907 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1ccc(F)cc1F 1865701984 JXMXWFVFKPPZQU-INIZCTEOSA-N 450.342 4.586 50 10 JJGE BrC[C@@H](C1CC1)N(Cc1ccccc1)c1ccc(I)cn1 1915191824 APIAUBXLQIOFQW-INIZCTEOSA-N 457.153 4.866 50 10 JJGE CCn1ncc(Br)c1[C@H](Br)c1cc(Br)ccc1OC 2094270834 HUVSHBDBDCOPMD-GFCCVEGCSA-N 452.972 4.921 50 10 JJGE CC(F)(F)C[C@@H](CBr)NC(=O)c1c(Br)cccc1Br 2113235143 GUUUDEYOJKWDDC-ZETCQYMHSA-N 463.942 4.750 50 10 JJGE C[C@@H]1C[C@H](CBr)CCN1C(=O)c1ccc(I)c(Cl)c1 2115844923 VWLAPBUKJMVBNY-NXEZZACHSA-N 456.549 4.580 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CC2(CCl)CCC1CC2 2178882255 MYJJHCZDOHRMDI-UHFFFAOYSA-N 468.560 4.677 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1CN(CCCCCI)CC[C@@H]1C(F)(F)F 2220216781 NCDGMRDAQLESJJ-KBPBESRZSA-N 478.337 4.617 50 10 JJGE Cc1ccc(I)c(C(=O)N2CCCC[C@H]2[C@H](C)CBr)c1 2240924100 JZUGQWLAMQRQHX-DOMZBBRYSA-N 450.158 4.625 50 10 JJGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 2242382074 FIJCCJMEECSKAZ-JHJVBQTASA-N 475.346 4.853 50 10 JJGE C[C@@H](Br)CN(C1CCC1)S(=O)(=O)c1cc(Br)ccc1Br 2288054359 WXAKQIWRJAOAII-SECBINFHSA-N 490.055 4.538 50 10 JJGE CCCN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC(C)(C)CI 2306818175 HTAPTUFDSASEGS-INIZCTEOSA-N 452.421 4.807 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCc2cccc(C(F)(F)F)c2)C1 2327926433 KZUZFERUJZRYEW-ZIAGYGMSSA-N 471.257 4.645 50 10 JJGE C[C@@H]1[C@@H](Cl)CCN(C(=O)c2cc(Br)ccc2I)[C@@H]1C 2344510890 WEDKLECHRBIDNA-SBMIAAHKSA-N 456.549 4.532 50 10 JJGE CC(C)(C)OC(=O)N[C@@]12CCC(F)(F)C[C@H]1CN(CC1(CBr)CC(F)C1)C2 2370148734 FTYKEMAOEVQGOR-VDEYCQILSA-N 455.359 4.514 50 10 JJGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@@H]1CN(C[C@H](CBr)CC1CC1)C2 2370175111 MSHRPFXYIAWVSU-FCEWJHQRSA-N 451.396 4.812 50 10 JJGE CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC 6600243 ZLZPJQUASNRSED-SDQBBNPISA-N 480.702 4.964 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 12489108 SIEDECPTNWPFDW-UHFFFAOYSA-N 453.366 4.676 50 10 JJGE CC(C)COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1Br 14653135 VCLNWFFJUNKPQP-MRXNPFEDSA-N 485.378 4.866 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 38654741 CQHLUEUGNMDVHQ-DEOSSOPVSA-N 471.469 4.821 50 10 JJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC)C(=O)C(C#N)=C2C)cc1F 214209420 ISJLVMGYNAUSIC-BKUYFWCQSA-N 470.504 4.689 50 10 JJGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2)C1=O 214351517 CYGXVOBMGSAXJA-JLPGSUDCSA-N 464.525 4.716 50 10 JJGE CC(C)C[C@H](Br)CNC(=O)c1cc(Br)ccc1I 232639280 BGBLASXZJPYLPN-JTQLQIEISA-N 488.989 4.593 50 10 JJGE Cc1ccc(-n2nc(C)c(C=NNC(=O)c3nc(Cl)c(Cl)c(N)c3Cl)c2Cl)cc1 254682607 JKSVPOLSAJEJST-UHFFFAOYSA-N 472.163 4.844 50 10 JJGE Cc1ccc2nc(CCl)n(-c3cc(I)ccc3Br)c2n1 312683159 ZXBVXAAAIOHQQT-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE C[C@@]1(CBr)CCCN(C(=O)c2cc(Br)cc(Br)c2)C1 688135994 MNGYZWLSRVJTDB-AWEZNQCLSA-N 454.000 4.849 50 10 JJGE C[C@H](Br)[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1Br 688778028 QXOHBBIWASQVRX-ZANVPECISA-N 454.000 4.990 50 10 JJGE CN(C[C@@H]1CCC[C@H]1Br)C(=O)c1ccc(I)c(Cl)c1 689219586 RFCBIDMKLGUTBZ-WDEREUQCSA-N 456.549 4.580 50 10 JJGE C[C@@H]1CCC[C@](CCl)(NC(=O)c2ccc(I)c(Br)c2)C1 721571725 IKYDPDMKFBTPOD-BMIGLBTASA-N 470.576 4.971 50 10 JJGE CN(C(=O)C(C)(C)C)c1ccc(OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1 916963940 GJSFORUCAXEAEQ-HEHNFIMWSA-N 481.556 4.985 50 10 JJGE CN(C)c1ccc(C=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 1084137295 PLJKXPQRXCEDOO-UHFFFAOYSA-N 454.618 4.971 50 10 JJGE C#CCCCC(=O)NNC(=O)Nc1cc(Br)ccc1Oc1ccc(Cl)cc1 1476232234 LKLHCTLFINTNFJ-UHFFFAOYSA-N 450.720 4.851 50 10 JJGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746674 ZFPYWFQFSSPZOX-UHFFFAOYSA-N 484.468 4.734 50 10 JJGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)N4c5ccccc5C[C@H]4C)c(C)c32)c1 1772748596 BHLWZNGZWMADBA-MRXNPFEDSA-N 457.530 4.658 50 10 JJGE COc1ccc(C(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)cc1OC 1858897957 FHVBQJHBTWERJU-UHFFFAOYSA-N 463.515 4.818 50 10 JJGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(O)c(O)c2)cc1 1865680491 MKOGKRKSVUXYBX-QHCPKHFHSA-N 450.498 4.536 50 10 JJGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865691917 DWHKHPJZVJKXBX-QFIPXVFZSA-N 494.979 4.781 50 10 JJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1 1865708691 CVGDBDFALZMTNF-QHCPKHFHSA-N 462.509 4.603 50 10 JJGE CSCC[C@H](NC(=O)Cc1nc(-c2cccc(C)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866647827 LRTUTBZZMLVLGZ-NRFANRHFSA-N 494.642 4.951 50 10 JJGE C[C@H]1C[C@H](Br)CCN(C(=O)c2scc(Br)c2Br)C1 2041563777 QDNUREBJMAWLBW-JGVFFNPUSA-N 460.029 4.909 50 10 JJGE O=C(N[C@@H]1CCCC[C@@H]1CBr)c1c(Br)cccc1Br 2094087707 CDGLVBVAKKXPIC-BXKDBHETSA-N 454.000 4.895 50 10 JJGE C[C@@H]1C[C@@H](Cl)CCN(C(=O)c2ccc(I)c(Br)c2)C1 2103287701 QKDTYLATDWNHNK-KOLCDFICSA-N 456.549 4.533 50 10 JJGE CN(Cc1ccccc1)C1CCN(S(=O)(=O)c2cc(CBr)ccc2Cl)CC1 2179790990 LGVGQURVPLKYGE-UHFFFAOYSA-N 471.848 4.520 50 10 JJGE CCn1cc(Br)c([C@@H](Br)c2cc(Br)c3c(c2)CCO3)n1 2181186830 UNZJVOQKIUMUEM-LBPRGKRZSA-N 464.983 4.847 50 10 JJGE CC1(C[S@@](C)(=O)=NC[C@@H](CBr)c2ccccc2)CN(C(=O)OC(C)(C)C)C1 2192784582 JKKMRZAOOLNVMR-XGCWNURASA-N 459.450 4.520 50 10 JJGE O=C(NC[C@]1(CCl)CC12CCC2)c1ccc(Br)cc1I 2207265544 SHXWGBLWOMAANT-OAHLLOKOSA-N 468.560 4.583 50 10 JJGE CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(CCCCCI)CC2)C1 2214707508 DJABDTIIMABQFM-QGZVFWFLSA-N 450.405 4.561 50 10 JJGE CC[C@@H]1[C@H](Br)CCN1Cc1ccc(I)c(Br)c1 2306219605 OBWIREZTKJCBPB-ZWNOBZJWSA-N 472.990 4.802 50 10 JJGE COc1ccccc1C(C#N)=Cc1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 2320507414 YPVKTERGUPDHJM-UHFFFAOYSA-N 466.493 4.741 50 10 JJGE CCCOc1ccc(C=NNC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)cc1OC 2321248537 VIEAYTLBYKDBRY-UHFFFAOYSA-N 463.534 4.636 50 10 JJGE Cc1cccc(Cn2cccc(C(=O)NN=Cc3ccc(OCc4ccccc4)cc3)c2=O)c1 2323620089 SIQBGUWEGLXYGN-UHFFFAOYSA-N 451.526 4.548 50 10 JJGE CC[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@H]1CBr 2325234324 WKDOQYBJZXDAJS-VXGBXAGGSA-N 487.017 4.907 50 10 JJGE Cn1cnc(Br)c1[C@@H](Br)c1c(Br)cc(F)c(F)c1F 2337330958 VSMRGGLNIPHQLY-ZETCQYMHSA-N 462.889 4.847 50 10 JJGE C[C@@H]1CN(C(=O)c2ccc(Cl)cc2I)[C@H](C)C[C@@H]1Br 2340061931 SUVGRASGLZCQRF-LNLATYFQSA-N 456.549 4.579 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@H]2CCOc3ccc(F)cc32)C1 2364438748 SKBCNGZCVWEDNZ-PXNSSMCTSA-N 491.341 4.871 50 10 JJGE CC1CCC([C@H](CBr)NC(=O)c2ccccc2I)CC1 2379725115 PLPDYOOYLFVUCJ-QOZQQMKHSA-N 450.158 4.611 50 10 JJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 12487911 IHGLZCAPLYTXQU-CQSZACIVSA-N 478.376 4.741 50 10 JJGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)c1ccccc1OCc1ccccc1 14030818 LGMARRAYBXWZEF-UHFFFAOYSA-N 452.510 4.773 50 10 JJGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)o1 38659100 MDKXDPNNONFHRY-FQEVSTJZSA-N 451.276 4.788 50 10 JJGE CCCc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 40569392 JISHQFOXZHUAHL-MGPUTAFESA-N 460.361 4.505 50 10 JJGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NCCC2=CCCCC2)c1[N+](=O)[O-] 40622249 XHPOHEILADSPJG-UHFFFAOYSA-N 481.340 4.516 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(OC)c2)cc1 58893310 UVOKNXXPKAIMNA-WRIMGEDOSA-N 480.536 4.776 50 10 JJGE COc1ccc(/C=C(\C#N)C(=O)NCc2ccccn2)cc1COc1ccccc1Br 58976457 QUTZGRPAEKLNCM-LDADJPATSA-N 478.346 4.655 50 10 JJGE C/C(N)=C(/C#N)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 104699565 PEPKYDIWRHFZDF-UHOLRTOOSA-N 482.496 4.502 50 10 JJGE CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(N)=O)cc2OC)cc1OC 206505134 FGBYDBSLJHIVIM-JFCNABASSA-N 478.545 4.674 50 10 JJGE CCOc1cc(/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCC(C)C 214350313 ICDKHZZDJYYPSG-HAHDFKILSA-N 458.558 4.955 50 10 JJGE COc1ccc2ccccc2c1C=NNC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 263629682 CJJBNAWEPAJYBZ-QFEJOQHDSA-N 494.507 4.678 50 10 JJGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc3c(c2)OCO3)cc1 263632595 WBMHVYMXWKWVLN-UHFFFAOYSA-N 452.466 4.860 50 10 JJGE Nc1ccc(Br)cc1[C@H]1CN(Cc2ccccc2)C[C@@H]1CI 382701188 CQNCTFICFWFNPS-YOEHRIQHSA-N 471.180 4.682 50 10 JJGE CC(=O)N1CC[C@@H](NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)c2ccccc21 1518263166 RXHLSRAXFOFBEF-HVUZKSCUSA-N 456.521 4.754 50 10 JJGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751424 QSJUPTBZUCUCMZ-UHFFFAOYSA-N 482.496 4.588 50 10 JJGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)c(OC)c1 1865687514 SVVYTPCLUXNNRB-IBGZPJMESA-N 470.451 4.728 50 10 JJGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(F)cc1 1865691248 NSCUVOGTBNOBLW-IBGZPJMESA-N 470.426 4.872 50 10 JJGE CCOc1cc(C(=O)NNC(=O)c2ccc(SCC(C)C)cc2)cc(OCC)c1OCC 1865758358 WOUSGMIITRMZGA-UHFFFAOYSA-N 460.596 4.706 50 10 JJGE C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 1873794321 DIFGLTOQQQTKMS-DSKMXOTJSA-N 466.365 4.936 50 10 JJGE CC1(C)CN(C(=O)c2cc(Br)sc2Br)C[C@H]1CBr 1914529432 RIHCXLCHMBBASG-SSDOTTSWSA-N 460.029 4.766 50 10 JJGE CC1(C)C[C@H](CNCCSSCCNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1 1985350466 QNBMZLGBELIAJG-MRXNPFEDSA-N 463.710 4.518 50 10 JJGE FC1(F)[C@@H]2COC[C@]21[C@@H](Br)c1cc(Br)sc1Br 1998633257 CRMPLVMEZUFSOX-XZKCWBSRSA-N 452.940 4.991 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2010827497 RTYYHZUOZUTPPU-SFTDATJTSA-N 465.729 4.783 50 10 JJGE CCOc1c(Cl)cc(C=C(C#N)C(=O)Nc2ccccc2I)cc1OC 2053623268 OTHDKZGZPNKFGI-UHFFFAOYSA-N 482.705 4.898 50 10 JJGE FC(F)(F)C[C@@H](CBr)NCc1ccc(I)c(Cl)c1 2086657443 FIYMDXNQGVFCBY-QMMMGPOBSA-N 456.471 4.750 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CCC2(CC1)C[C@@H]2CBr 2092482447 VLUTULXECUSBLH-MRVPVSSYSA-N 472.040 4.910 50 10 JJGE Cc1ncc(COc2c(Br)cc(CBr)cc2Br)n1C 2115591228 ZPLXWLSDIDHBSP-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE CN(C(=O)c1cc(Br)cc(Br)c1)[C@@H](CCBr)C(F)F 2121994194 FLNNSGHRAICKNR-JTQLQIEISA-N 463.942 4.702 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@@H](CBr)C12CC2 2133830922 KSNYSNHQKUJCNA-VIFPVBQESA-N 451.984 4.601 50 10 JJGE C[C@H]1Cc2cc([C@H](Br)c3cn(C)c(Br)n3)cc(Br)c2O1 2146615956 LYPSNPWIPVPJQL-MADCSZMMSA-N 464.983 4.753 50 10 JJGE CC(C)[C@H](CI)NC(=O)c1cc(Br)cc(C(F)(F)F)c1 2172409281 UWANXQHZCJSTDB-NSHDSACASA-N 464.063 4.657 50 10 JJGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)c(CBr)c1 2179791700 VFJMXNBLSHWTQE-GOSISDBHSA-N 471.848 4.520 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@@H](CBr)C12CCC2 2190353036 IZZCPOSLCPTFEE-JTQLQIEISA-N 466.011 4.991 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@H](Br)Cc1cc(Cl)ccc1OC(F)(F)F 2216988547 YHBWGKRQPIIULZ-LLVKDONJSA-N 462.649 4.841 50 10 JJGE CCCN(C[C@H](C)Br)C(=O)c1ccc(Br)cc1I 2259778911 OEGBRHJEAQRESJ-VIFPVBQESA-N 488.989 4.689 50 10 JJGE C=CCNC(=O)C(C#N)=Cc1ccc(OC(=O)C(C#N)=Cc2ccc(OCCCC)cc2)c(OC)c1 2293198148 ZYPXIPOPHOMGGU-UHFFFAOYSA-N 485.540 4.596 50 10 JJGE CCOc1ccccc1NC(=O)[C@@H](OC(=O)C(C#N)=Cc1ccc(OC)cc1)c1ccccc1 2297392930 IIDAHTOAZUJDNH-VWLOTQADSA-N 456.498 4.924 50 10 JJGE CCCOc1cc(Br)c(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 2313676726 XZCJUXFDBBEXSP-UHFFFAOYSA-N 460.284 4.700 50 10 JJGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)C(C)=C(C#N)C1=O 2314618166 ILIWKGGUFZPHHX-UHFFFAOYSA-N 484.531 4.616 50 10 JJGE CC[C@@H](C)[C@H](CI)NC(=O)c1ccc(Cl)cc1I 2317769149 RCXRACNGQCQCTM-PELKAZGASA-N 491.538 4.524 50 10 JJGE C=CC[C@@H](Br)[C@@H]1CCN1C(=O)c1cc(Br)ccc1Br 2335810245 LLSJHSOFIMVAQB-OLZOCXBDSA-N 451.984 4.766 50 10 JJGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2[C@H]3CCO[C@H]32)c1Br 2339655901 IKGKFMDZBOUXAA-XKYKYCOXSA-N 454.984 5.000 50 10 JJGE O=C(N[C@@H]1C[C@H](CBr)C12CCC2)c1cc(Br)sc1Br 2351630924 FYWGAQKEYDKUJH-VXNVDRBHSA-N 472.040 4.957 50 10 JJGE BrCCCN1CCCN(Cc2c(Br)cccc2Br)CC1 2366633407 OBRIZNKRBQMKAM-UHFFFAOYSA-N 469.059 4.504 50 10 JJGE C[C@H](Br)CC1C[C@@H]2CC[C@H](C1)N2C(=O)c1csc(I)c1 2367001622 DPRRYEJTWSIEEM-FZMOHWGLSA-N 468.198 4.909 50 10 JJGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)c(OCC)c1 1911634 UEOYYXSSQFXFPD-KQWNVCNZSA-N 497.503 4.840 50 10 JJGE C=CCOc1ccc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 14642261 QOJKCRQGOGRSKT-UHFFFAOYSA-N 481.346 4.521 50 10 JJGE COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1Cn1nc(C)c(Br)c1C 27500442 GTGLKWIIUGFNAQ-BHGWPJFGSA-N 475.774 4.737 50 10 JJGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O 38603527 PPTPBOFXXZMJMQ-UDWIEESQSA-N 450.922 4.930 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@H]1c1cccc([N+](=O)[O-])c1 38654291 UTKWETJWBPPDAX-OAQYLSRUSA-N 492.831 4.594 50 10 JJGE Cc1c(C(=O)N(C)c2ccccc2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823259 YXIXZDIBXHKPQG-VFLNYLIXSA-N 493.379 4.854 50 10 JJGE Cc1nn(Cc2ccccc2)c(C)c1/C=N/NC(=O)CN(Cc1ccccc1)Cc1ccccc1 59147198 HFROKQCQEWJCOA-UXHLAJHPSA-N 465.601 4.701 50 10 JJGE CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C\c2cc(OC)c(OC)cc2Br)s1 96438605 VIDGXPVMKBHWOY-QPEQYQDCSA-N 493.379 4.813 50 10 JJGE C[C@@H](Br)C1CCN(C(=O)c2cc(Br)ccc2Br)CC1 235124022 LKTVNGXKICIUBV-SECBINFHSA-N 454.000 4.847 50 10 JJGE CCOc1cc(C=NNC(=O)c2cccc(Br)c2)ccc1OC(=O)c1ccc(OC)cc1 252597576 CTDTXDQOWHPDQN-UHFFFAOYSA-N 497.345 4.840 50 10 JJGE O=C(CCCCC(=O)NN=Cc1ccc(C(F)(F)F)cc1)NN=Cc1ccc(C(F)(F)F)cc1 254751419 IZMVDFPWARFAQS-UHFFFAOYSA-N 486.416 4.885 50 10 JJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(CC)cc3)cc2)cc1 254792754 GFSVNPDPMWUHSL-UHFFFAOYSA-N 487.556 4.736 50 10 JJGE CCCCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc1OC 256028308 DYLQIWAIYNQXFG-UHFFFAOYSA-N 456.593 4.635 50 10 JJGE CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1I 303741439 NGQMGHJQJKNJQJ-HHARLNAUSA-N 451.389 4.887 50 10 JJGE CCc1nn(C)c(COc2cccc(CBr)c2Br)c1Br 315729425 OKVZBQKNBFOUFM-UHFFFAOYSA-N 466.999 4.981 50 10 JJGE COc1ccccc1N1CCN(C(=O)Nc2ccc(C(=O)Nc3ccc(SC#N)cc3)cc2)CC1 586659337 OBHBUFYCYWLIGU-UHFFFAOYSA-N 487.585 4.875 50 10 JJGE C[C@H](Br)[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1I 688775308 CQGDJRGEBVSDMC-ZANVPECISA-N 456.549 4.723 50 10 JJGE COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1C 726538966 YVEMMRDOEAFFNS-DKQKECBASA-N 491.567 4.815 50 10 JJGE Cc1nc2ccccc2n1CCCOC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 920793242 FOAMTJIBXUZGSH-OQKWZONESA-N 464.529 4.662 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OC 1084542758 PLPDORBDODGULP-WZUFQYTHSA-N 466.675 4.574 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc(F)c3)c(OC)c2)cc1 1084626816 UVOKNXXPKAIMNA-DEOSSOPVSA-N 480.536 4.776 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc(Br)c1O 1865689971 YAJCRXDRPFIHIS-SFHVURJKSA-N 487.741 4.529 50 10 JJGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(F)cc4)cs3)CC2=O)cc1 1872752948 AKLLMAMUPCAWNL-HLGQQVFSSA-N 477.517 4.972 50 10 JJGE C[C@@]1(CI)CC[C@@H](c2ccc(Cl)cc2I)O1 1903698931 IVAOBGGLJCOXHC-RYUDHWBXSA-N 462.496 4.990 50 10 JJGE C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)OC(C)(C)C 1985350821 WOXTYJQQQJNZQW-IAGOWNOFSA-N 463.710 4.660 50 10 JJGE CC[C@H](C)[C@H](CI)NC(=O)c1scc(Br)c1Br 2023028070 IDTGXNODSKQMSK-XPUUQOCRSA-N 495.018 4.853 50 10 JJGE BrCC1C[C@@H]2CC[C@H](C1)N2c1ncc(I)cc1Br 2069532403 UYYUUSTYRVVTNK-UQPYNNQESA-N 485.989 4.591 50 10 JJGE CCS(=O)(=O)C[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2081070095 HTPYOLUYNNHRHZ-JTQLQIEISA-N 463.029 4.699 50 10 JJGE C[C@H](Br)[C@@H]1CCCCN1C(=O)c1c(Br)cccc1Br 2094096284 WINUQAGBZHEYSC-CABZTGNLSA-N 454.000 4.990 50 10 JJGE CC1(C)C[C@H](CBr)N(C(=O)c2ccc(Br)cc2Br)C1 2094748559 COBURVJHEWOADO-SNVBAGLBSA-N 454.000 4.847 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Br)C2 2134109588 CRLYHDKIOZPRSA-CVUIIHQFSA-N 476.003 4.752 50 10 JJGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1cnn(C)c1I 2138243705 VUTNQOMUJFOHGF-SNVBAGLBSA-N 475.939 4.777 50 10 JJGE CC[C@@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@H]1CBr 2140782594 CLVZTAWYQBQJMM-NXEZZACHSA-N 454.000 4.705 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(F)(F)F)CCN1C[C@H](CBr)C1CCC1 2163834892 HPFMVWZMQUIRNK-JYJNAYRXSA-N 457.375 4.965 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1[C@H](CCl)C[C@H]2CCC[C@@H]21 2164649900 XCRAOLVVELCOSP-PUYPPJJSSA-N 468.560 4.676 50 10 JJGE CC1(C)C[C@H](Br)CCN1S(=O)(=O)c1cc(Br)ccc1Br 2169875334 JVWTVIWNMSEYIV-SNVBAGLBSA-N 490.055 4.538 50 10 JJGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@H]2CCCO2)cc1 2296540316 RISVCXXVZYKIQE-AREMUKBSSA-N 470.573 4.920 50 10 JJGE C[C@@H]1CC[C@H](Br)CN1Cc1ccc(I)c(Br)c1 2306218473 AICYRNRBHFIAIB-KOLCDFICSA-N 472.990 4.802 50 10 JJGE COc1ccc(CN2C(=O)C(=Cc3ccc(OCC(C)C)c(OC)c3)C(C)=C(C#N)C2=O)cc1 2314617283 VIJWEXQWAKAUGG-UHFFFAOYSA-N 460.530 4.531 50 10 JJGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)C=Cc1ccc(OC(C)C)c(OC)c1 2314774420 JEXHDFIUSTWLLS-UHFFFAOYSA-N 478.545 4.541 50 10 JJGE CCOc1ccccc1C=CC(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1OC 2314774561 OQVTXHBAAZARJQ-UHFFFAOYSA-N 472.497 4.529 50 10 JJGE O=C(NCC[C@H]1CCC[C@@H]1Br)c1ccc(Cl)cc1I 2340064754 RLCWASPEFUCEAN-SKDRFNHKSA-N 456.549 4.628 50 10 JJGE Cc1ccc(CBr)c(OCc2nn(C)cc2Br)c1Br 2352946220 HRTHEXKAIROTBW-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE CC(C)(C)OC(=O)N1CCC(C2CCN(C[C@@]3(CBr)CC3(F)F)CC2)CC1 2379986077 XOTAOMHMFHNGCF-IBGZPJMESA-N 451.396 4.766 50 10 JJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 14027868 WBRZFDXBUKNPQV-OAHLLOKOSA-N 459.329 4.801 50 10 JJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccccc2Br)c(Br)c1 14832332 ITYBCRHRSGIAND-GFCCVEGCSA-N 484.188 4.565 50 10 JJGE CCC1=C(C(=O)OC)[C@@H](c2cccc(NC(=O)C(C)(C)CCl)c2)N2CCCSC2=N1 16613779 JBOKPDGDYMSVDR-GOSISDBHSA-N 450.004 4.577 50 10 JJGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1cccc2ccccc12 20805529 WAELXLRMUZKGSB-LQKURTRISA-N 470.602 4.780 50 10 JJGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2OC)c1 38657119 YVLSUTCYUHWTIN-SANMLTNESA-N 486.524 4.930 50 10 JJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1 38658161 SHENWERCWVDPLY-QUGAMOGWSA-N 486.499 4.982 50 10 JJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)cc1OC 38681213 CMRCTLCJHLNYMP-MHZLTWQESA-N 468.509 4.626 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 38688319 RVLCKTCTVPSXDS-GOTSBHOMSA-N 495.318 4.957 50 10 JJGE Cc1c(C(=O)Nc2nccs2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816346 IMNUDUQESAMBPH-VULFUBBASA-N 493.372 4.839 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCCOc1cccc(C)c1 40870106 KVNVBGXPEXVFKG-JJIBRWJFSA-N 484.552 4.992 50 10 JJGE IP(CC1CCNCC1)(c1ccccc1)(c1ccccc1)c1ccccc1 101723161 WZPIUGCXVNBJSB-UHFFFAOYSA-N 487.365 4.866 50 10 JJGE Cn1ncc([C@@H](Cl)c2cc(Br)sc2Br)c1I 382167656 JWGYUPZSUCZVDW-ZETCQYMHSA-N 496.393 4.939 50 10 JJGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865707710 DIQXGAIPPMXYPN-DEOSSOPVSA-N 458.562 4.736 50 10 JJGE Brc1cccc(Br)c1CN1C[C@H](Br)C[C@@]2(CCCO2)C1 1924251414 MLXCTFXZSQMJNK-ABAIWWIYSA-N 468.027 4.730 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H]2CC[C@]2(CBr)C1 2078147527 OEEHKDMUESXJFB-KRTXAFLBSA-N 458.013 4.520 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CCC[C@H]1CCCBr 2092339955 KOGWTORMAUCCPN-SNVBAGLBSA-N 454.000 4.991 50 10 JJGE CC(C)[C@@H](Br)c1cn(Cc2cccc(Br)c2Br)nn1 2121068137 LVUSIJHJEWWBTR-GFCCVEGCSA-N 451.988 4.943 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H](CCl)[C@@H](C(F)(F)F)C1 2163345147 GECBYHAWTFZOPE-FSPLSTOPSA-N 455.521 4.762 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@H](CN(CCCCCI)C2CC2)C1 2214705618 VEARTKBFMAXBOK-INIZCTEOSA-N 450.405 4.703 50 10 JJGE Cc1cc(Br)c([C@@H](Br)[C@@H](C)S(C)(=O)=O)c(C)c1Br 2220149958 OCPHVMOARSHVOV-PELKAZGASA-N 463.029 4.698 50 10 JJGE CC1(CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)CC2(CC(F)(F)C2)C1 2222927341 TZKJJHZWHSWJDT-OLZOCXBDSA-N 471.326 4.642 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@@]2(CCC[C@H]2Br)C1 2283664130 WRXSGHGPYVOYNB-HIFRSBDPSA-N 468.560 4.724 50 10 JJGE O=C(N[C@@]1(CBr)C[C@H]2CC[C@H]1C2)c1ccc(I)c(Cl)c1 2283923600 JUFPUJNQDOYOHM-CCUNJIBTSA-N 468.560 4.628 50 10 JJGE C[C@@]1(CCBr)CCN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295311219 HVZDBSCHBLFKPF-OAHLLOKOSA-N 468.027 4.778 50 10 JJGE CCN(CC)C(=O)COc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccccc3)cs2)cc1OC 2295672221 COUPZDZVKKSWBX-UHFFFAOYSA-N 490.585 4.612 50 10 JJGE O=C(c1scc(Br)c1Br)N1[C@H]2CC[C@@H]1C[C@H]2CBr 2309694042 MYMMFSWPASUKMG-OOZYFLPDSA-N 458.013 4.661 50 10 JJGE C=CCc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 2313568961 ZRZBOHZORFATGI-UHFFFAOYSA-N 470.323 4.660 50 10 JJGE CCOc1ccc(C=CC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 2326841552 ZMJXHBPYIYWXTQ-UHFFFAOYSA-N 459.933 4.819 50 10 JJGE COc1cc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccccc3)n2)c(OC)cc1Cl 2331377354 NZYDWDNPWWMXNA-UHFFFAOYSA-N 455.923 4.703 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1nn(C)nc1Br 2339689259 CJINSTYVUFSYJZ-MRVPVSSYSA-N 476.369 4.878 50 10 JJGE C[C@@H]1[C@@H](Cl)CCN(C(=O)c2ccc(Br)cc2I)[C@@H]1C 2344514182 JKZBGXBUBKOCRS-SBMIAAHKSA-N 456.549 4.532 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1OC 38659488 QCADRQSPZLBNQW-HHHXNRCGSA-N 486.524 4.605 50 10 JJGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1O)CCC2 40826385 IILARRFPOJKDKD-OVVQPSECSA-N 451.910 4.978 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 58893994 LRLHARHUXMDQJJ-CIGKTAFOSA-N 476.573 4.945 50 10 JJGE O=C(N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1cccc(Cl)c1 59152715 UWSZTSCGBAWYPC-QOMWVZHYSA-N 486.728 4.923 50 10 JJGE O=c1[nH]c2ccc([C@H](Br)c3cc(Br)ccc3Br)cc2[nH]1 161082989 KEMIOLQMXIYIFJ-ZDUSSCGKSA-N 460.951 4.866 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccccc1OCC 206675567 KRPRLYOJAGPWAM-RGEXLXHISA-N 460.486 4.520 50 10 JJGE CC(=NNC(=O)Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 252640000 YPGAOQFXGLAEKD-UHFFFAOYSA-N 463.603 4.868 50 10 JJGE CC[C@@H](Nc1ccc(I)cc1)C(=O)NN=Cc1ccc2ccccc2c1 254391710 SEVCWJANJYHQSP-HXUWFJFHSA-N 457.315 4.785 50 10 JJGE C[C@@H](CCCBr)CNC(=O)c1cc(Br)ccc1I 384421785 ZOEOFKMSDJBULJ-VIFPVBQESA-N 488.989 4.595 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccccc2OCc2ccc(F)cc2)cc1 1084428834 IZJNHWTWWDNLOJ-XMMPIXPASA-N 450.510 4.767 50 10 JJGE C=CCn1ncc2ccc(NC(=O)NNc3ccc(-c4cccc(C(F)(F)F)c4)nn3)cc21 1311251991 IZEMLMRJTOJINZ-UHFFFAOYSA-N 453.428 4.847 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1O 1865682106 GFFVFJNNDVYOMN-KRWDZBQOSA-N 476.842 4.536 50 10 JJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)c1 1865692907 PZBNBHATUJJAPP-FQEVSTJZSA-N 484.478 4.802 50 10 JJGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 1865705512 XNFOMLZVGBIXRH-NRFANRHFSA-N 465.351 4.949 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865710365 WLCLEXSJIQTAHC-QHCPKHFHSA-N 479.496 4.733 50 10 JJGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)CCCOc1ccccc1 1865759275 RCRXYPDDAUHIJF-UHFFFAOYSA-N 458.345 4.984 50 10 JJGE CCOc1c(Br)cc(Br)cc1CNC[C@H]1C[C@@H](Br)C1 1887923979 LQIHWTKIHCYJCB-JGZJWPJOSA-N 456.016 4.873 50 10 JJGE CC1(C)[C@@H](Oc2cc(Br)cc(I)c2)C[C@H]1Br 1901016739 QYGPEHJXINGTSY-MNOVXSKESA-N 459.947 4.995 50 10 JJGE CC1(C)CN(C(=O)c2csc(Br)c2Br)C[C@@H]1CBr 1914482955 CYCUDBICPMMTOU-ZETCQYMHSA-N 460.029 4.766 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CC[C@@]2(CCC[C@@H]2Cl)C1 1918919052 APSRJTMBFOHDDC-ZFWWWQNUSA-N 468.560 4.677 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@@H](Br)CC2(CC2)C1 1926029542 JHCCJVFUZVENQW-JTQLQIEISA-N 451.984 4.601 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2014553632 NFGDMOLJUABACX-SJORKVTESA-N 477.737 4.906 50 10 JJGE O=C(NC[C@H](CBr)C1CCC1)c1scc(Br)c1Br 2029477083 BMQBIQOHIQSJPJ-QMMMGPOBSA-N 460.029 4.814 50 10 JJGE C[C@H]1C[C@@H](CBr)CCN1C(=O)c1cc(Br)sc1Br 2052361678 WLVJHVPXCVWMLK-YUMQZZPRSA-N 460.029 4.909 50 10 JJGE C[C@@H](Br)[C@H](NC(=O)c1scc(Br)c1Br)C(F)(F)F 2074718035 XHPPTEAKLNWBAI-NFNCENRGSA-N 473.934 4.717 50 10 JJGE C[C@H]1CCN(C(=O)c2cccc(Br)c2Br)C[C@H]1CBr 2092332933 LKTMEIXDZTWRIP-VHSXEESVSA-N 454.000 4.705 50 10 JJGE ClCCc1nc2cc(I)ccc2n1[C@]12C[C@H]1CN(Cc1ccccc1)C2 2099679417 QNMIRXUZWHYUOE-KKSFZXQISA-N 477.777 4.653 50 10 JJGE Cc1nc2c(cc1Br)nc(CCl)n2[C@H]1CCOC[C@@H]1OCc1ccccc1 2153125199 SBNSPXNBSXTNFS-ROUUACIJSA-N 450.764 4.788 50 10 JJGE O=C(c1cc(Br)ccc1I)N1C[C@H]2CCC[C@]2(CCl)C1 2159399640 CGRBWDWUVUTTHC-BMIGLBTASA-N 468.560 4.535 50 10 JJGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@@H]1C[C@@H](CCl)C2 2184584540 ZAGGLBYJLPVEKQ-WLLOZRIZSA-N 468.560 4.676 50 10 JJGE O=C(N[C@H](CCl)c1ccccc1)c1ccc(Br)cc1I 2207268645 MRIFCVOUJPLKNP-CQSZACIVSA-N 464.528 4.764 50 10 JJGE Fc1cc(Br)cc(F)c1CO[C@@H](CCl)[C@H](I)CCl 2259031540 KKIYDDHVDZURGW-MNOVXSKESA-N 473.910 4.894 50 10 JJGE COc1ccc(C=C(C#N)C(=O)Nc2c(C)nn(Cc3ccccc3)c2C)cc1Br 2313547975 HUERCNWLCCQGJA-UHFFFAOYSA-N 465.351 4.865 50 10 JJGE C=CC[C@@H](Br)[C@H]1CCN1C(=O)c1cc(Br)sc1Br 2314228273 AFQSPUJEEDSNHG-RKDXNWHRSA-N 458.013 4.827 50 10 JJGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 2314531398 AJMGSYIXCFISQO-UHFFFAOYSA-N 480.524 4.966 50 10 JJGE C[C@H]1CN(Cc2ccc(I)c(Br)c2)C[C@@]1(C)CBr 2325221828 IOKOVOBIZOFDOI-IINYFYTJSA-N 487.017 4.907 50 10 JJGE Cc1c([N+](=O)[O-])cc(C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1[N+](=O)[O-] 2331334934 WDJYXSUMDIWHTF-UHFFFAOYSA-N 452.404 4.614 50 10 JJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3O)cc2)cc1 12491810 SKVZAQPWRMNURF-CVKSISIWSA-N 460.490 4.614 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)c1 38650185 YFDPZEYFVHDJTA-RUZDIDTESA-N 456.498 4.515 50 10 JJGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccccc3F)ccc21 38650515 GBRUOEXUXJISPY-IVCQMTBJSA-N 474.488 4.815 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1OC 38658612 ONAKDMBMFICDHK-QHCPKHFHSA-N 462.889 4.795 50 10 JJGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccccc2OC)cc1 39992916 KGTHNNOKPHJCKS-KNTRCKAVSA-N 466.497 4.603 50 10 JJGE COc1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 40912347 RRDSFBLCURTQME-AFUMVMLFSA-N 469.335 4.566 50 10 JJGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1 58889787 HRZDITZNZROXPM-IEZSBWOXSA-N 452.938 4.892 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3C#N)c(OC)c2)cc1 58893145 ZUGIYBXLRJGOIB-TZMKENEKSA-N 487.556 4.508 50 10 JJGE N#C/C(=C/n1cc(Cc2ccc(Cl)cc2Cl)c2ccccc21)c1nn(CCO)c(N)c1C#N 64264658 HEHGUVJJPYPWAB-VKAVYKQESA-N 477.355 4.703 50 10 JJGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1 206395084 POZVGZKLUGXRMP-JCZKDOMISA-N 468.509 4.546 50 10 JJGE Cn1ncc([C@H](Cl)c2cc(Br)sc2Br)c1I 382167655 JWGYUPZSUCZVDW-SSDOTTSWSA-N 496.393 4.939 50 10 JJGE Fc1cc2c(cc1I)nc(CCl)n2Cc1ccn(Cc2ccccc2)n1 389610121 HZRDQXKKUMRWQT-UHFFFAOYSA-N 480.712 4.812 50 10 JJGE Cc1cncc(CCOc2c(Br)cc(CBr)cc2Br)n1 403044249 GLTYIZDXDZYWAE-UHFFFAOYSA-N 464.983 4.826 50 10 JJGE C[C@@H](Br)[C@@H]1CCCCN1C(=O)c1cc(Br)cc(Br)c1 688778322 RTFRJXBGJHCMAL-RNCFNFMXSA-N 454.000 4.990 50 10 JJGE Cn1cc(C[C@H](CBr)Cc2ccccc2Br)c(Br)n1 714088714 ORVYFYJOWCXMHX-SNVBAGLBSA-N 451.000 4.741 50 10 JJGE COCCN(Cc1ccc(C)cc1C)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 745843234 BXFMHUGNGHFNJC-KOEQRZSOSA-N 467.573 4.663 50 10 JJGE Cc1ccc(C(=O)NCC(=NNC(=O)Nc2ccc(OC(F)(F)F)cc2)c2cccc(F)c2)cc1 1088698740 XIKOMRVNNXVJKM-UHFFFAOYSA-N 488.441 4.989 50 10 JJGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2c(-c3ccccc3)[nH]c3ccccc23)cc1 1467443326 QLXFYOJYICWLTG-KRWDZBQOSA-N 456.502 4.658 50 10 JJGE C=CC[C@@H](NC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccncc1 1677730954 NKHJUPVWZMEANS-HSZRJFAPSA-N 451.530 4.867 50 10 JJGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(C)cc2)CCC3)c1 1772745372 ZHXMXHGRXXGKSV-UHFFFAOYSA-N 461.518 4.636 50 10 JJGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCC)c(OCC)c1 1865689085 JPHCOXHVCNOBOY-QHCPKHFHSA-N 474.561 4.984 50 10 JJGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706087 NGACUKGOLYAHIP-HXUWFJFHSA-N 479.924 4.994 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)ccc1O 1865706149 OZCMWNQAFKJMRL-QHCPKHFHSA-N 450.498 4.780 50 10 JJGE Cc1oc(-c2ccccc2Cl)nc1CC(=O)N[C@H](C)C(=O)Nc1ccc(SC#N)cc1 1866661300 SRGCNFCPXXYGDF-CYBMUJFWSA-N 454.939 4.563 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)cc1OC 1872745185 DIAPDSDBLYSCEU-QNGOZBTKSA-N 452.492 4.751 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@H](Br)C12CCC2 1914446048 BSBCOIXHKQTRAT-LBPRGKRZSA-N 451.984 4.744 50 10 JJGE CCC[C@@](C)(CBr)NC(=O)c1ccc(Br)cc1I 2086145853 SBTQXWCMWBYGSV-ZDUSSCGKSA-N 488.989 4.737 50 10 JJGE O=S(=O)(c1ccc(Br)c(CCl)c1)N(Cc1ccccc1)C[C@@H]1CCCO1 2095878752 CYVIRLYZCKEMRO-KRWDZBQOSA-N 458.805 4.558 50 10 JJGE FC(F)(F)[C@@H]1CN(c2ncc(Br)cc2Br)C[C@@H]1CBr 2106985717 SORXQCQKFDFHMD-POYBYMJQSA-N 466.921 4.616 50 10 JJGE CC[C@H]1CN(C(=O)c2cc(Br)cc(Br)c2)C[C@@H]1CBr 2140788269 PORNJHDIISWBMG-ONGXEEELSA-N 454.000 4.705 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]([S@@](C)(=O)=NC[C@H](CBr)c2ccccc2)C1 2163059591 URHKXKJMTAZIJE-SORZYCEUSA-N 459.450 4.662 50 10 JJGE O=S1(=O)CCC[C@@H]([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)C1 2201612587 BZQVTGFARQNLMP-LHLIQPBNSA-N 452.542 4.642 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1ccc(I)c(Cl)c1 2204561658 GMRJGUNHOFDOAP-HJUHTLPRSA-N 468.560 4.627 50 10 JJGE Cn1ncc([C@@H](Cl)Cc2ccc(Br)cc2Cl)c1I 2221696180 XIUFFKYCAGAZMP-NSHDSACASA-N 459.940 4.963 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2283670630 URXQMKMNUSPGJI-YHPBZONMSA-N 468.560 4.723 50 10 JJGE COc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O 2296720336 SAZIDDICHJUVFI-UHFFFAOYSA-N 472.888 4.694 50 10 JJGE COc1ccc(C(=O)NN=c2oc3ccc(Br)cc3cc2-c2nc3ccccc3[nH]2)cc1 2297660517 FJTJDLFJQSZFFA-UHFFFAOYSA-N 489.329 4.993 50 10 JJGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1ccc(OCc2ccccc2F)cc1 2314619002 XZBMZTAIUDLTPN-UHFFFAOYSA-N 462.521 4.812 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1c(C)ccc(C)c1C 2314737086 LCCQYVOTRSTIHS-UHFFFAOYSA-N 484.552 4.828 50 10 JJGE CCOc1ccc(C=C(C#N)C(=O)N(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 2314777802 VOUFRUBBKIGZNE-UHFFFAOYSA-N 476.554 4.731 50 10 JJGE Brc1cc(CN2CC[C@H](Br)[C@@H]3CC[C@H]32)ccc1I 2325206522 HDBKWJSJCFQGPU-COPLHBTASA-N 485.001 4.802 50 10 JJGE BrC[C@@H]1[C@H]2CN(Cc3ccc(I)c(Br)c3)CC[C@@H]12 2325234161 UYOREKLSZQRUKJ-SRVKXCTJSA-N 485.001 4.517 50 10 JJGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccccc1F 32519920 VFEVWPJDMSZYJC-LGJNPRDNSA-N 464.522 4.532 50 10 JJGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2)c(OC)c1 33631593 VTAOAAZZAPSTPE-KQWNVCNZSA-N 468.509 4.556 50 10 JJGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)OC)cc2OC)cc1OCC 54624623 GTGRNQXAHXRMIL-RMFULTEWSA-N 479.529 4.972 50 10 JJGE COc1cc(Cl)c(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1OC 66202225 AJWWEPHHXZVXND-BHGWPJFGSA-N 483.790 4.946 50 10 JJGE COc1ccc(CN(C(=O)CCl)[C@@H](C(=O)NC2CCCCCC2)c2ccc(F)cc2)cc1 97914892 PQRSWTYQONILHS-XMMPIXPASA-N 460.977 4.982 50 10 JJGE O=S(=O)(NC[C@@H](Br)c1ccccc1)c1cc(Br)ccc1Br 136760897 UGOUBZADABRLKZ-CYBMUJFWSA-N 498.034 4.626 50 10 JJGE O=C(NN=Cc1c(O)c(Br)cc2oc3c(c12)CCCC3)c1cc(O)nc2ccccc12 252621185 MURNJFAZNKIKEY-UHFFFAOYSA-N 480.318 4.797 50 10 JJGE C[C@@]1(CI)CC[C@H](c2ncc(Br)cc2Br)O1 309443187 ONXLMPOWJSOIJV-KOLCDFICSA-N 460.935 4.652 50 10 JJGE CC(C)(C)C[C@H](CCl)NC(=O)c1cc(Br)ccc1I 393469480 PECBNOARYJYZTC-SNVBAGLBSA-N 458.565 4.827 50 10 JJGE CN(C[C@@H]1CCC[C@@H]1Cl)C(=O)c1cc(I)ccc1Br 689330478 IMTNTDNNMSUMJF-ZANVPECISA-N 456.549 4.533 50 10 JJGE BrCc1ccc(N2CC[C@]3(CN(Cc4ccccc4)CCO3)C2)cc1Br 717593671 PFBOKDXUMLWFDG-NRFANRHFSA-N 480.244 4.825 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)NC[C@H](c2ccccc2)N2CCCC2)c(-c2ccc(Cl)cc2)n1 842532883 HRBDUGCHVQWQMO-LMTOTAIGSA-N 499.018 4.977 50 10 JJGE C/C(=C/C(=O)NNC(=O)COc1ccc(OCc2ccccc2)cc1)c1ccccc1Cl 1124154961 JELKMWILGYIITP-SDXDJHTJSA-N 450.922 4.549 50 10 JJGE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(-c2ccc(Cl)s2)nn1 1611547988 DQBVSWMZWDXDGU-AWEZNQCLSA-N 451.980 4.551 50 10 JJGE Cc1c(C(=O)N=c2cc[nH]cc2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772748386 WRJHZMMEEOFUKZ-UHFFFAOYSA-N 464.525 4.795 50 10 JJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)c1 1865693793 ZAPIGJQZUAVRJW-QHCPKHFHSA-N 450.498 4.775 50 10 JJGE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696143 KJPWAPFXQWUMDY-SFHVURJKSA-N 457.715 4.520 50 10 JJGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1c(F)cccc1Cl 1865709550 CKNUEYBZCBTIAI-KRWDZBQOSA-N 478.833 4.969 50 10 JJGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 1865712460 ZASCJYWJVJKXKX-AREMUKBSSA-N 464.525 4.987 50 10 JJGE CN(C[C@@H]1C[C@H]1Br)C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 1910143561 OMHPPGYMQYQWID-IINYFYTJSA-N 462.182 4.652 50 10 JJGE O=C(c1cc(I)ccc1O)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1915159391 NVVKTQJJTQGHNF-KRWDZBQOSA-N 455.723 4.657 50 10 JJGE Cc1cccc(Br)c1C(=O)N(C)C[C@@H](Br)COCc1ccccc1 1916384929 DYENHTQSIYRZKO-MRXNPFEDSA-N 455.190 4.810 50 10 JJGE C[C@@]12CN(C(=O)c3csc(Br)c3Br)C[C@@]1(CBr)C2 2046801753 JGOOQCFHKFCDRU-NEPJUHHUSA-N 458.013 4.520 50 10 JJGE O=C(CBr)c1ccc(C(F)(F)F)c(I)c1OC(F)(F)F 2055151556 LCGBOGISHLFUEF-UHFFFAOYSA-N 476.936 4.786 50 10 JJGE CN(C(=O)c1cccc(Br)c1Br)C1(CBr)CCCC1 2113807175 KYRRDXPEEQWGSM-UHFFFAOYSA-N 454.000 4.991 50 10 JJGE Cc1cccc(C(=O)N[C@H](CBr)c2ccsc2)c1I 2119040840 UKQURBDCDIZKFR-GFCCVEGCSA-N 450.139 4.527 50 10 JJGE Cc1nn(C)cc1CC(CBr)(CBr)c1ccc(Br)cc1 2143442400 VJAXTVINWMJZSH-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE CCCN1CCC[C@H]([C@H](Br)c2cccc(OCc3ccccc3)c2)S1(=O)=O 2145783966 WVLXWXSLNLUFJE-NHCUHLMSSA-N 452.414 4.906 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CC[C@H](Cl)C(F)(F)CC1 2150040279 UGARIQGTQCJRAC-NSHDSACASA-N 478.502 4.532 50 10 JJGE CC(C)(C)OC(=O)Nc1c[nH]nc1[C@@H]1CCCN(CCCCCI)C1 2220223267 NXUFOZJNWPLBOS-CQSZACIVSA-N 462.376 4.541 50 10 JJGE CN(C(=O)c1sccc1I)[C@H](CBr)c1ccccc1 2278828409 DIDUJBVDZURTOD-GFCCVEGCSA-N 450.139 4.561 50 10 JJGE C[C@H](Br)CCCN(C)C(=O)c1ccc(Br)cc1I 2314468347 UKWAKVCNJOHVFT-VIFPVBQESA-N 488.989 4.689 50 10 JJGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1ccc(Br)cc1Br 2330901136 KTLROQJDTLXZQA-RKXYQDBHSA-N 451.984 4.503 50 10 JJGE FC1(F)CCN(Cc2ccc(Cl)c(I)c2)CC[C@H]1Br 2337226063 SSLAMRGPWSMEDF-GFCCVEGCSA-N 464.519 4.939 50 10 JJGE O=C1Cc2cc([C@@H](Br)c3cnsc3Br)c(Br)cc2N1 2337333893 GJVBLLDDJMRWSZ-LLVKDONJSA-N 466.980 4.647 50 10 JJGE FC(F)(CCl)[C@H]1CCN(Cc2ccc(I)c(Br)c2)C1 2349855163 LTGFKWQJADGLJZ-JTQLQIEISA-N 464.519 4.750 50 10 JJGE CCCO[C@@H]1[C@@H](Cl)C[C@H]1OCc1ccc(I)c(Br)c1 2350039399 LNRFJFRCDHKINP-IACUBPJLSA-N 459.549 4.745 50 10 JJGE CN1/C(=C/C=N/NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)C(C)(C)c2ccccc21 6141946 YRQBGYUIMJSJHH-IVYNUYEBSA-N 480.615 4.576 50 10 JJGE CCCOc1ccc(C(=O)NNC(=O)COc2ccccc2[C@H](C)CC)cc1Br 14647234 XYRQYYRNJSZTNN-OAHLLOKOSA-N 463.372 4.591 50 10 JJGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)Cc1ccc(Cl)cc1 14650791 LSWOGTGUJVBXIZ-UHFFFAOYSA-N 453.764 4.531 50 10 JJGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(F)cc1 33621111 MHVCOTHOPQIDNH-UCQKPKSFSA-N 487.512 4.788 50 10 JJGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3C)ccc21 38650068 SRFXKPVUQCFPEL-VWLOTQADSA-N 476.916 4.860 50 10 JJGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 38654144 MAZNYJWCWGZADO-LMKMVOKYSA-N 485.496 4.748 50 10 JJGE CC[C@H](C)NC(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816254 PNXSGFFVQMHAHJ-QVRKFKRVSA-N 466.365 4.659 50 10 JJGE C[C@@H](Sc1ccccn1)C(=O)N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21 59153131 PMUPLKWKBUBUQQ-XPMRTLDXSA-N 466.566 4.783 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OC 59474963 PNAYFSNKUXXUOC-OQLLNIDSSA-N 462.287 4.553 50 10 JJGE COc1cccc(C(C)=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)c1 254525368 QPYJLLPNNCCCET-UHFFFAOYSA-N 471.586 4.884 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(F)cc2F)C1 382722524 OFWZBYACEWPCLL-RHSMWYFYSA-N 457.258 4.752 50 10 JJGE C[C@@H]1CCC[C@@](CBr)(NC(=O)c2cccc(F)c2I)C1 721672576 NBIKTKIPFOCLLP-MEBBXXQBSA-N 454.121 4.504 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)Oc2cccc(I)c2)c(-c2ccccc2)n1 916855547 FPCYMCLJOZWIHW-ATVHPVEESA-N 494.292 4.581 50 10 JJGE O=C(NN=Cc1ccccc1OCc1ccc(Br)cc1)c1ccc2c(c1)OCO2 1083895509 BEUMGJNSLPFXMK-UHFFFAOYSA-N 453.292 4.521 50 10 JJGE Cc1ccc(N(CC(=O)NN=Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1C 1084018945 AXEGJWKOVWFYCV-UHFFFAOYSA-N 490.412 4.956 50 10 JJGE CN(C)c1ccc(C(=O)NN=C2C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1 1084452942 PZWIEZFRJABEKJ-UHFFFAOYSA-N 467.356 4.740 50 10 JJGE C=C1CC(C)(C(=O)NNc2c(Br)cc(Br)cc2Br)C1 1465395117 ONOBTWFSOKKCHS-UHFFFAOYSA-N 452.972 4.774 50 10 JJGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)Cc3ccc(OC)c(OC)c3)c(OC)c2)cc1 1615066156 YWZJEEROZWYKGM-FYJGNVAPSA-N 459.498 4.933 50 10 JJGE O=C(COc1ccccc1)NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 1772752251 DWGAWGPABRHPLS-UHFFFAOYSA-N 498.764 4.549 50 10 JJGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706383 VIBXZQDIUFVWPB-SFHVURJKSA-N 456.289 4.868 50 10 JJGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714105 CPLBGMACWBMGFO-HXUWFJFHSA-N 465.351 4.814 50 10 JJGE Cc1ccc(-c2ccc(C(=O)NNC(=O)CCC(=O)c3ccc(Br)cc3)c(C)n2)cc1 1865757517 GWFHEJPBACTHHZ-UHFFFAOYSA-N 480.362 4.552 50 10 JJGE CCOC(=O)c1sc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)nc1-c1ccccc1 1866133110 QSVZKXZCDWSYQS-SFQUDFHCSA-N 463.515 4.550 50 10 JJGE Cc1nc(C)c(CC(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)s1 1866570699 IVOPSSDWAXJIIF-NRFANRHFSA-N 496.683 4.933 50 10 JJGE COc1ccc(CCN2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccccc4)cs3)CC2=O)cc1OC 1872747519 HHGPXKXNIINTBG-RPYJSOBJSA-N 475.570 4.711 50 10 JJGE CC[C@H](C)c1ccc(S(=O)(=O)N(C)C[C@@H](Br)COCc2ccccc2)cc1 1916334898 LXPWDOVEILQVSP-FXAWDEMLSA-N 454.430 4.801 50 10 JJGE O=C(CBr)c1ccc(I)c(OC(F)(F)F)c1C(F)F 2060384732 XOXKRXRLBNSMRB-UHFFFAOYSA-N 458.946 4.705 50 10 JJGE c1cc([C@H]2CC[C@]3(CC2)OOC2(O3)[C@H]3CC4CC(C[C@H]2C4)C3)ccc1OCCN1CCOCC1 2060475036 XLCNVWUKICLURR-VFXIDCLRSA-N 469.622 4.882 50 10 JJGE CC[C@@H]1CN(S(=O)(=O)c2cc(CCl)sc2Br)CCN1Cc1ccccc1 2095818450 ILNNQDLLISONLO-OAHLLOKOSA-N 477.877 4.535 50 10 JJGE C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(CCl)sc2Br)CN1Cc1ccccc1 2098610209 XOOCNRNOKSMGIM-HIFRSBDPSA-N 477.877 4.533 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CC[C@H](Br)CC12CC2 2113560914 GYXWIGIFQMYBNI-VIFPVBQESA-N 498.984 4.586 50 10 JJGE C=CC[C@@](C)(CBr)CNC(=O)c1cc(Br)cc(Br)c1 2137192487 LNGOHPNFWZKOHY-AWEZNQCLSA-N 454.000 4.919 50 10 JJGE COC(=O)[C@@]1(CCCl)C[C@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OCc1ccccc1 2172512342 SVZXCFJDULBKJD-PGRDOPGGSA-N 456.055 4.960 50 10 JJGE O=S1(=O)CCCC[C@H]1[C@@H](Br)c1c(Br)cc(F)c(Cl)c1F 2201619264 PGHMCOPYNNGVMF-WCBMZHEXSA-N 452.542 4.784 50 10 JJGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 2209470337 SGOCIKXMYMJEJN-QBPKDAKJSA-N 461.441 4.948 50 10 JJGE FC1(F)CN(CCCCCI)CCCCN(Cc2ccccc2)C1 2214704914 LKADFIFAQYLCFH-UHFFFAOYSA-N 450.355 4.825 50 10 JJGE CCN([C@@H]1CCC[C@H]1Br)S(=O)(=O)c1cc(Br)ccc1Br 2232599650 HRNALIAXWANSSQ-ZYHUDNBSSA-N 490.055 4.538 50 10 JJGE CC1(C)CN(C(=O)c2ccc(Cl)c(I)c2)C[C@H]1CCBr 2283661389 GKVBTPBNNPHDIR-LLVKDONJSA-N 470.576 4.828 50 10 JJGE COc1ccc(C=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1COc1ccc([N+](=O)[O-])cc1 2295680588 ZFKVWWBOYUHFJR-GOSISDBHSA-N 457.486 4.967 50 10 JJGE Cc1cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NCc2ccccc2)ccc1Cl 2296720897 QIOVCTDPSOKOMU-UHFFFAOYSA-N 470.916 4.672 50 10 JJGE Cc1cc(NS(=O)(=O)c2ccc(NC=C(C#N)c3nc(-c4cccs4)cs3)cc2)no1 2297482018 KXKSMWICLPZPPT-UHFFFAOYSA-N 469.573 4.945 50 10 JJGE Cc1nc(C)c(C(=O)NN=CC=Cc2ccccc2)cc1C(=O)NN=CC=Cc1ccccc1 2297550848 HLQDVAVUBDKUEJ-UHFFFAOYSA-N 451.530 4.556 50 10 JJGE O=S1(=O)CC[C@@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299492627 IQDWKOHROZKWHO-RDTXWAMCSA-N 474.214 4.899 50 10 JJGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NC)N(c3ccc(OCC)cc3)C2=O)cc1 2314593668 QSDLEECLMZGEFZ-QHCPKHFHSA-N 463.603 4.600 50 10 JJGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 2314618457 NWUBWLRRKPBHFC-QHCPKHFHSA-N 498.970 4.964 50 10 JJGE CC(C)(C)OC(=O)N[C@@]12CCC(F)(F)C[C@H]1CN(CCCCCI)C2 2320885245 SCLPUYPLUWYECU-WMLDXEAASA-N 472.358 4.606 50 10 JJGE C[C@H](NC(=O)C(C#N)=CNCCc1cccc(Br)c1)c1ccc2c(c1)CCCC2 2325119069 WQBSTPBLAMIYMP-KRWDZBQOSA-N 452.396 4.745 50 10 JJGE C[C@@H](NC(=O)C(C#N)=CNCCc1cccc(Br)c1)c1ccc2c(c1)CCCC2 2325119070 WQBSTPBLAMIYMP-QGZVFWFLSA-N 452.396 4.745 50 10 JJGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)CN2C(=O)c3ccccc3C2=O)n1 2331410964 XZLKDIBDAKWYAG-UHFFFAOYSA-N 451.891 4.561 50 10 JJGE FC12COC(COc3c(Br)cc(Br)cc3CBr)(C1)C2 2353065113 XNJXLGAUXDMPFO-UHFFFAOYSA-N 458.947 4.756 50 10 JJGE Clc1ccccc1CN(Cc1cccnc1)C1=NC[C@H](CI)S1 1013370 MCRPHZNWWRGNKV-HNNXBMFYSA-N 457.768 4.644 50 10 JJGE N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(S(N)(=O)=O)cc1 6057230 REBMZHPUSFUFEG-JWGURIENSA-N 483.549 4.612 50 10 JJGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1[C@H](C)CC 14649723 BPYNIYBEBZSVSZ-MRXNPFEDSA-N 477.399 4.982 50 10 JJGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1-c1ccccc1 14652585 QAUHPIVXVWUDGJ-UHFFFAOYSA-N 483.362 4.745 50 10 JJGE COC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 33280642 LSEIHLPIOWFQJJ-NHFKTHAYSA-N 499.519 4.982 50 10 JJGE COc1cc(/C=C(\C#N)c2nc(O)c3cc(Cl)ccc3n2)ccc1OCC(=O)Nc1nccs1 35520026 KZGMHAXOVHHJCO-RIYZIHGNSA-N 493.932 4.536 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@H]1c1ccccc1Br 38678973 RXIYPWYLMDOUMB-OAQYLSRUSA-N 492.285 4.795 50 10 JJGE Cc1ccc2nc(Nc3ncnc(NNC(=O)COc4ccc(Cl)cc4Cl)c3N)sc2c1 40783585 KZLDOWSRWZFXTL-UHFFFAOYSA-N 490.376 4.549 50 10 JJGE CCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)CCC3)cc1 40813065 ITSIIUPTVVQNDD-NHFJDJAPSA-N 476.489 4.618 50 10 JJGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 58889917 FBCMATCSBLHYID-HSMHNTNPSA-N 496.947 4.590 50 10 JJGE CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)O[C@H](C(=O)N(C)C)c3ccccc3)c2C)cc1 97997962 DQCCBXMOSDWDCD-FGSNJIQSSA-N 471.557 4.773 50 10 JJGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2cc(Cl)ccc2Cl)C1 118875403 BZQBPIFTPWPPIE-NSHDSACASA-N 479.061 4.747 50 10 JJGE CCOC(=O)c1cnn(-c2cc(C)c3cc(C)cc(C)c3n2)c1NC(=O)[C@H](Br)CC 170509195 WQWAUKBGDPOISJ-QGZVFWFLSA-N 473.371 4.634 50 10 JJGE COc1ccccc1/C=C(/C#N)C(=O)Oc1ccc2cc(C(=O)N[C@H](C)c3ccccc3)c(=O)oc2c1 206545339 HVQVPEWYXPACRX-QWQBBLJPSA-N 494.503 4.805 50 10 JJGE CCN(CC)S(=O)(=O)c1cccc(C(=O)NN=C(C)c2ccc(C3CCCCC3)cc2)c1 254303907 NIWYAAWJANPECY-UHFFFAOYSA-N 455.624 4.919 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2ccc(F)cc2)cc1 254835961 KLNZEOXKHWUYJB-UHFFFAOYSA-N 485.519 4.556 50 10 JJGE CC[C@H](C)N(CCBr)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 312587290 DFVGTXSIUPWQOO-QMMMGPOBSA-N 468.038 4.940 50 10 JJGE CCOc1ccc(Br)cc1[C@H](Br)c1cnn(C)c1Br 381855723 CTPWVEBBUSUCHJ-LBPRGKRZSA-N 452.972 4.828 50 10 JJGE CC(C)[C@](C)(CBr)NC(=O)c1cc(Br)ccc1I 398593676 ZLJFRMLDUWTZKZ-ZDUSSCGKSA-N 488.989 4.593 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3F)cc2)cc1 725390153 SMQZISYDEULJEU-VWLOTQADSA-N 450.510 4.767 50 10 JJGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 1614653247 XCLVLWVXXBWHDX-WBZZOGQTSA-N 483.593 4.999 50 10 JJGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689822 XGTCJTVWWBVCFI-FQEVSTJZSA-N 495.377 4.828 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706877 HSMUBKBKMNWDHZ-VWLOTQADSA-N 494.551 4.842 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865712233 SQHMCMIQBQQAIA-XMMPIXPASA-N 482.515 4.973 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1 1865712759 HGJUIZVSDCDTFE-QHCPKHFHSA-N 452.489 4.964 50 10 JJGE CN1C(=O)C(C)(C)c2cc(C(=O)N[C@@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)ccc21 1867203419 KOBCGLMXLULOLN-HSZRJFAPSA-N 484.581 4.624 50 10 JJGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)cc2C1=O 1872752801 SPNOTQVYGAAYFF-LKOLJXARSA-N 473.510 4.883 50 10 JJGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 1873794895 HUNRDAGVKXMQNC-QYJQOTDOSA-N 457.546 4.794 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1CC12CCC([C@H](CBr)NC(=O)OC(C)(C)C)CC2 1885093729 PLOUUPIWMMGXAJ-WZHMAMEKSA-N 461.441 4.996 50 10 JJGE Brc1cc(CO[C@H]2CCC[C@H]2Br)ccc1I 1904374644 VHAGJKCIAZBIND-SKDRFNHKSA-N 459.947 4.886 50 10 JJGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 1915088011 DTDZROVKQXJHOO-CQSZACIVSA-N 461.219 4.814 50 10 JJGE O=C(Cc1cnn(Cc2ccccc2)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915264268 QOPFRYCBWADWRW-HSZRJFAPSA-N 452.396 4.676 50 10 JJGE O=S(=O)(c1cc(CBr)ccc1Br)N(Cc1ccccc1)C1CC1 1984662778 XZZUGNUOFVRKKI-UHFFFAOYSA-N 459.203 4.697 50 10 JJGE CCC[C@H](Br)CCNC(=O)c1ccc(I)c(Br)c1 2029914341 NLCIBHARBWUZRA-JTQLQIEISA-N 488.989 4.737 50 10 JJGE O=C(N[C@@H]1CCC[C@@H]1CCBr)c1cc(Br)c(Br)s1 2030111103 KMGOJNIWTNBPHR-VXNVDRBHSA-N 460.029 4.957 50 10 JJGE FC(F)(F)[C@@H]1CN(Cc2ccccc2)CCN1c1nc(Cl)c(CBr)s1 2066628467 YMIQLLSXUWESEC-ZDUSSCGKSA-N 454.743 4.945 50 10 JJGE BrC[C@H]1C[C@@H]2CC[C@H](C1)N2c1ncc(I)cc1Br 2069532401 UYYUUSTYRVVTNK-UIKWRGBMSA-N 485.989 4.591 50 10 JJGE BrC[C@@H]1CCC2(CC2)CN1c1ncc(I)cc1Br 2069534681 YOGMNTHEZJLADS-JTQLQIEISA-N 485.989 4.593 50 10 JJGE C[C@H]1CC[C@](CBr)(NC(=O)c2scc(Br)c2Br)C1 2074198760 DXCNXLTZDKTFDW-MADCSZMMSA-N 460.029 4.957 50 10 JJGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1cc(Br)cc(Br)c1 2104410113 CUMUDWVITAMGTC-PTYMLPSESA-N 451.984 4.503 50 10 JJGE CC(C)(C)OC(=O)N[C@@H](C[S@@](C)(=O)=NCC1(CBr)CCCC1)C(C)(C)C 2106788601 RBIQVGZCCSCPFK-QWXGXRTQSA-N 453.487 4.979 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H]2C[C@H](Cl)CC[C@H]21 2143976752 UCKYCVGQKIWMBF-GLXFQSAKSA-N 468.560 4.676 50 10 JJGE C[C@@H]1Cc2cc([C@H](Br)c3cn(C)nc3Br)cc(Br)c2O1 2173182126 IWGLKXHFRZGKHO-KRTXAFLBSA-N 464.983 4.753 50 10 JJGE CN([C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21)S(=O)(=O)c1ccc(CBr)s1 2190545675 BIQMZKSWVFXDIN-RNIPGJKVSA-N 470.454 4.647 50 10 JJGE C[C@@]12CC[C@@](CCl)(C1)N(C(=O)c1cc(I)ccc1Br)C2 2199516486 OBARXCZMZJVOGM-CABCVRRESA-N 468.560 4.677 50 10 JJGE Cc1ccc(I)c(C(=O)N(CCBr)Cc2ccccc2)c1 2210081666 PVHUTAMYJARCFH-UHFFFAOYSA-N 458.137 4.637 50 10 JJGE O=C(N[C@H]1CCC[C@H](CBr)C1)c1ccc(Cl)c(I)c1 2268350062 SGHPYOFLGAXRNZ-ONGXEEELSA-N 456.549 4.628 50 10 JJGE CC(C)(C)CCN(CCBr)C(=O)c1c(F)cccc1I 2289896696 KSVOJRPKOZUDKA-UHFFFAOYSA-N 456.137 4.704 50 10 JJGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 2293039123 DUZCEAOYFFRVIR-QHCPKHFHSA-N 475.520 4.707 50 10 JJGE CNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 2296730184 DXEOYUODMKDHMW-UHFFFAOYSA-N 452.489 4.910 50 10 JJGE CC(C)(C)c1ccc(Cn2cccc(C(=O)NN=Cc3c(O)ccc4ccccc34)c2=O)cc1 2323662149 AXVBYUVQBSEDCP-UHFFFAOYSA-N 453.542 4.817 50 10 JJGE COc1cc(Br)c(C)cc1[C@H](Br)c1c(Br)ncn1C 2337330566 QRNBIWNBZSLTED-NSHDSACASA-N 452.972 4.746 50 10 JJGE COc1ccc(CCN[C@H](C)CCCCCI)c(Br)c1 2364879059 UNSRAYYASGDGRP-CYBMUJFWSA-N 454.190 4.974 50 10 JJGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2)cc1Br 14041239 OWADAOGFDPASRB-UHFFFAOYSA-N 463.372 4.591 50 10 JJGE CCOc1c(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2Br)cccc1OC 40950779 MOPMNMDOVIAOMU-AUEPDCJTSA-N 469.763 4.656 50 10 JJGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OC)cc1OC 206235997 QZPJRLJQSWPKMK-XUPLFRGXSA-N 465.502 4.581 50 10 JJGE COc1ccc(Cl)cc1NC(=O)/C(C#N)=C\Nc1ccc(I)cc1C 217164530 DRPLOKUCUKNZTI-BENRWUELSA-N 467.694 4.720 50 10 JJGE CCCOc1ccc([C@H](Cl)c2cnn(C)c2I)cc1Br 379222026 UJAJETVKVWFWKW-ZDUSSCGKSA-N 469.548 4.904 50 10 JJGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2CC[C@H](Cl)C[C@H]2C1 398803422 SABQCAHLIPROKQ-NHCYSSNCSA-N 468.560 4.533 50 10 JJGE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)c3cccc(OC)c3)cc2OC)c1 915861883 DYUXIGVJBRGJRK-JMIUGGIZSA-N 473.481 4.730 50 10 JJGE COc1ccc(C(CSc2nc3ccccc3o2)=NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 1084042230 VGFWQUARWYNHBS-UHFFFAOYSA-N 462.487 4.671 50 10 JJGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H](Sc2cc(F)ccc2F)c2ccccc2)c1 1176937908 YLJCGPGPFFFDDI-NRFANRHFSA-N 453.539 4.797 50 10 JJGE CC(=O)N1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc4ccccc34)c2C)C(C)(C)C1 1527089229 PTRBEWZSOIPKCE-LFVJCYFKSA-N 454.574 4.624 50 10 JJGE CCOc1ccc(OCC(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858902504 QRCFKRHJPSJMGS-UHFFFAOYSA-N 477.542 4.965 50 10 JJGE C[C@@H](C(=O)N/N=C/c1cccc(Cl)c1Cl)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860773836 HAPWNMCRSCPRDL-ABGDNVJCSA-N 463.390 4.601 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1cc(Cl)ccc1O 1865688922 FSGHINBJPCVLIM-INIZCTEOSA-N 464.806 4.666 50 10 JJGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1ccc(Br)cc1 1865691407 QYKTYHIPSZYUPY-OAQYLSRUSA-N 477.362 4.980 50 10 JJGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865708677 CMLIOQXFIJSANF-QHCPKHFHSA-N 478.508 4.773 50 10 JJGE Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NNC(=O)[C@H](Cc1ccccc1)c1ccccc1 1865758099 JCIFTSZXWRZSIG-RUZDIDTESA-N 453.517 4.984 50 10 JJGE CCCSc1ccccc1C(=O)NNC(=O)c1ccc(-c2ccc(OC)c(OC)c2)nc1C 1865759088 HRSADVCHMDRKNR-UHFFFAOYSA-N 465.575 4.651 50 10 JJGE COc1ccc([C@@H](CC(C)C)C(=O)NCC(=O)Nc2ccc(SC#N)cc2)cc1Br 1868164761 DICNJVYJTXCKMU-GOSISDBHSA-N 490.423 4.915 50 10 JJGE O=C1c2ccccc2C(=O)N1CCc1nccn1-c1ccc(CBr)c(C(F)(F)F)c1 1913030571 MRNINSQVEQEFPS-UHFFFAOYSA-N 478.268 4.625 50 10 JJGE CC[C@@H](C[C@H](C)Br)NC(=O)c1ccc(Br)cc1I 2086154055 QDPRNEICOCIYKS-WPRPVWTQSA-N 488.989 4.736 50 10 JJGE CCOc1ccc([C@@H](Br)c2cc(Br)n(C)n2)c(Br)c1 2094081377 BUSKVFICIBSNOI-CYBMUJFWSA-N 452.972 4.828 50 10 JJGE CN(CC(C)(C)CBr)c1ncc(C(F)(F)F)cc1I 2094611184 IPGNZICFVQOXOB-UHFFFAOYSA-N 451.068 4.562 50 10 JJGE Cn1nc(C[C@@H](CBr)Cc2cccc(Br)c2)cc1Br 2111923912 CIVNOYKZFPIMPG-NSHDSACASA-N 451.000 4.741 50 10 JJGE COC[C@H](C)OC[C@@H](Br)CCc1ccc(I)c(Cl)c1 2142935744 DCMZNOLCTDWZRH-JQWIXIFHSA-N 461.565 4.692 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CC[C@@H]2C[C@H](Cl)CC[C@@H]21 2143974255 JSFLDVBIFBFTRS-RULNRJAQSA-N 468.560 4.676 50 10 JJGE Brc1cccc(CN2CCC3(CC2)C[C@H](Br)CO3)c1Br 2173134537 XHLRKLFUVIKNNF-LBPRGKRZSA-N 468.027 4.730 50 10 JJGE COc1ccc(C(=O)N[C@@H](C)CCCCCI)cc1Br 2174527037 OXABWHLHFHECQE-NSHDSACASA-N 454.146 4.571 50 10 JJGE CN(C(=O)c1ccc(Br)cc1Br)[C@@H](CCBr)C(F)(F)F 2178516207 UAVOQGLGFDDRQX-JTQLQIEISA-N 481.932 5.000 50 10 JJGE C[C@@H](c1cccs1)N(C)S(=O)(=O)c1cc(CBr)sc1Br 2179791969 ZFGJVJXQIJPVJN-QMMMGPOBSA-N 459.250 4.849 50 10 JJGE CN([C@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1ccccc1CBr 2179812178 PFTCRHJKZNBBJP-ICSRJNTNSA-N 452.414 4.586 50 10 JJGE Fc1ccc(N2CC[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)c(CBr)c1Cl 2185515095 PJEFLCDPHWFQGA-PMACEKPBSA-N 453.783 4.854 50 10 JJGE FC(F)CC1(CBr)CCN(Cc2ccc(I)cc2)CC1 2188336014 BILAYMIAUASJDP-UHFFFAOYSA-N 458.128 4.924 50 10 JJGE Brc1sc([C@@H]2COC[C@@H]2Br)c(Br)c1Br 2209978474 XZHGCXLFYFRQSB-DMTCNVIQSA-N 469.818 4.913 50 10 JJGE Cc1c(Br)csc1C(=O)N(C)C[C@@H](Br)COCc1ccccc1 2210635475 KEFDOCLEVWEFKE-CQSZACIVSA-N 461.219 4.871 50 10 JJGE CC(C)(C)OC(=O)NC1(c2csc(NC(=O)c3ccc(CBr)cc3)n2)CC1 2232526504 IOXPMLWCEGIKIQ-UHFFFAOYSA-N 452.374 4.804 50 10 JJGE CCc1nn(-c2cc(F)cc(F)c2CBr)c(CC)c1I 2235797086 YYPHDPMDAQOXHJ-UHFFFAOYSA-N 455.084 4.775 50 10 JJGE CC[C@H](Br)[C@H]1CCCCN1C(=O)c1cc(C)ccc1I 2240922676 FDJWSKUSOSATDM-DZGCQCFKSA-N 450.158 4.768 50 10 JJGE CCn1cc(Br)c([C@H](Br)c2ccc(OC)c(I)c2)n1 2269533092 CRPUPDQHHARMBG-GFCCVEGCSA-N 499.972 4.763 50 10 JJGE C[C@]1(CNC(=O)c2cc(Br)ccc2I)CCC[C@H]1Cl 2271298036 CDHFPPLHAAFXNX-TZMCWYRMSA-N 456.549 4.581 50 10 JJGE CC[C@H](NC(=O)Cc1cc(Br)cc(Br)c1)[C@H](Br)CC 2277934495 AENKGSWAYUVIHY-OLZOCXBDSA-N 456.016 4.822 50 10 JJGE CCOC(=O)C(C#N)=C1S[C@H](Cc2ccccc2C)C(=O)N1c1ccc(Br)cc1 2293039190 NEONALXJMRCECY-LJQANCHMSA-N 471.376 4.747 50 10 JJGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(I)o2)cc1C 2297624643 WEGMBCLYNSQEQI-UHFFFAOYSA-N 471.092 4.809 50 10 JJGE COC(=O)c1ccc(Cl)c(-c2ccc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)o2)c1 2313568346 VBMDJSHLRYUPHZ-UHFFFAOYSA-N 475.932 4.642 50 10 JJGE Cc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccc(F)cc2)nc2c(C)cccn2c1=O 2314532215 HGGOZHKSFKDHKP-UHFFFAOYSA-N 454.461 4.788 50 10 JJGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(OC)cc1 2314592945 DTWQWLYHMHFUSE-LJQANCHMSA-N 488.396 4.730 50 10 JJGE COc1cc(C=NNC(=O)c2ccc(-c3ccc(C)c(C)c3)nc2C)cc(Br)c1O 2321229950 JSSGOBSHNNGRDN-UHFFFAOYSA-N 468.351 4.914 50 10 JJGE CC[C@@]1(C)[C@H](Br)CCN1C(=O)c1cc(Cl)ccc1I 2336763277 ZCPIWFCREVVSDG-OCCSQVGLSA-N 456.549 4.723 50 10 JJGE CS(=O)(=O)c1cccc([C@H](Br)c2sc(Cl)cc2I)c1 2338628009 AAJBKKSHXLWVMD-NSHDSACASA-N 491.597 4.894 50 10 JJGE CC(C)(C)[C@H]1[C@H](Br)CCN1C(=O)c1ccc(Cl)cc1I 2365590409 GOASWXLUUSYBCI-DGCLKSJQSA-N 470.576 4.969 50 10 JJGE CC(C)(C)OC(=O)N1CC(N(CC2CCCCC2)C[C@]2(CBr)CC2(F)F)C1 2379985062 FASXSOZHNFDYSC-LJQANCHMSA-N 451.396 4.908 50 10 JJGE COc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1 2359627 FOGQBTGQZCLNTI-GPSDDGMOSA-N 455.539 4.760 50 10 JJGE O=C(c1ccc(N2C(=O)CCC2=O)cc1)N(/N=C/c1ccc(F)cc1)c1nc2ccc(F)cc2s1 9148993 UAQCPRLYMHZQBR-CCVNUDIWSA-N 490.491 4.909 50 10 JJGE C/C(=N/NC(=O)[C@]1(C)CC1(Br)Br)c1ccc(NC(=O)c2ccc(C)o2)cc1 13138467 FSSZNWHPUQULNW-NVIPHDJISA-N 497.187 4.577 50 10 JJGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)CCCC)cc1 14649871 AKMXUZQRPIUBND-UHFFFAOYSA-N 490.398 4.832 50 10 JJGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OC)c1OC 38659004 JGRPAMKGXQBMBF-DEOSSOPVSA-N 472.497 4.540 50 10 JJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1OC 38680835 XETOLLACUPQXMM-SANMLTNESA-N 484.508 4.706 50 10 JJGE CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(C(=O)OC)cc1 50568361 GJJKMYHLNVIMII-ZHZULCJRSA-N 496.523 4.830 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1O 59474944 PVPPWCDGBIWZQX-OVCLIPMQSA-N 462.287 4.558 50 10 JJGE CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)CCl)cc1OC 97914657 HZKJEEFMRZXGNT-SANMLTNESA-N 487.040 4.894 50 10 JJGE CCCN(C(=O)CCl)[C@H](C(=O)NC1CCCCCC1)c1ccc(OC(C)C)c(OC)c1 97914881 BRMHOPMWIASGLC-QHCPKHFHSA-N 453.023 4.840 50 10 JJGE CCn1c(=O)oc2cc([C@H](Br)c3ccc(I)cc3)ccc21 109880456 MVLVFGLWWWNTOX-OAHLLOKOSA-N 458.093 4.703 50 10 JJGE O=C(c1ccc(Br)cc1Br)N(CCBr)C1CCCC1 232487012 FVELQCCVKDXFTF-UHFFFAOYSA-N 454.000 4.991 50 10 JJGE CC(=NNC(=O)[C@]1(C)CC1(Br)Br)c1cccc(NC(=O)c2ccc(C)o2)c1 252619167 LNSRFQCZXYUGCI-SFHVURJKSA-N 497.187 4.577 50 10 JJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2cccc([N+](=O)[O-])c2)cc1OC 254796731 GHMPUCXMAWJASU-UHFFFAOYSA-N 499.479 4.748 50 10 JJGE Cn1ncc([C@H](Br)c2cc(F)c(Br)cc2F)c1I 379205196 JQWWIIVHKGHATD-SNVBAGLBSA-N 491.899 4.550 50 10 JJGE C[C@@H](CCCCBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 398603003 VCDUYKNDNGGJMD-QMMMGPOBSA-N 468.038 4.988 50 10 JJGE C[C@@H]1CN(C[C@@H](c2cccs2)N(C(=O)CCl)c2ccc(Oc3ccccc3)cc2)C(=O)CN1 1082550811 OPVVIVSSGTXETK-GCJKJVERSA-N 484.021 4.674 50 10 JJGE CCc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084026611 GVPKOEJCKRBVLK-UHFFFAOYSA-N 490.412 4.901 50 10 JJGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702514 WKDZPVXGURIKFU-LJQANCHMSA-N 469.314 4.563 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865710379 WQGJLSFDNRXRPF-QHCPKHFHSA-N 450.498 4.775 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2cc(-c3ccccc3)on2)cc1 1866822553 AIZGGOLKSARCJT-QFIPXVFZSA-N 484.537 4.600 50 10 JJGE C[C@H](CCCl)N(Cc1ccccc1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 1901045059 RXHHJWABDDLBLW-HXUWFJFHSA-N 491.053 4.692 50 10 JJGE O=C(NC[C@@H]1CCCC2(CCC2)[C@H]1Br)c1csc(I)c1 1924848564 ZGGJUOKLXMFWMM-GWCFXTLKSA-N 468.198 4.816 50 10 JJGE O=C(N[C@H](CBr)CC1CCCCC1)c1sccc1I 1926771311 XUFPOJFBVQDMBO-NSHDSACASA-N 456.187 4.816 50 10 JJGE Cc1nc(I)c(I)n1-c1c(Cl)cccc1CCl 1941554220 UODNVTXJPCTCKT-UHFFFAOYSA-N 492.913 4.782 50 10 JJGE CC[C@H]1CN(C[C@H](Br)C(F)(F)F)[C@H](CC)CN1C(=O)OCc1ccccc1 1999445327 KUWQHBNLOOXVNK-IKGGRYGDSA-N 451.327 4.824 50 10 JJGE COc1cc(Br)c(C(=O)N(Cc2ccccc2)[C@@H](C)CBr)cc1OC 2068785120 VJNAQWIPWDFJBE-ZDUSSCGKSA-N 471.189 4.892 50 10 JJGE Brc1cc(I)cnc1N1C[C@H](Br)CC2(CCC2)C1 2069534400 UYAWOUIVMBNEJX-SECBINFHSA-N 485.989 4.593 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@H]2CCC[C@@]2(CBr)C1 2159405108 NLIFMGFBGLJPFE-MEBBXXQBSA-N 466.011 4.849 50 10 JJGE Cc1cc(Br)c(NS(=O)(=O)CCC(CCl)CCl)c(Br)c1 2160948267 JIMOOAAIIHOTFP-UHFFFAOYSA-N 468.038 4.746 50 10 JJGE CN(C(=O)c1cc(Br)cc(Br)c1)C1(CBr)CCSCC1 2171181432 FIMOAADYTCGSOC-UHFFFAOYSA-N 486.067 4.944 50 10 JJGE C[C@@H](Br)CCCc1cn(Cc2ccc(I)c(Cl)c2)nn1 2208042433 DEOJYLYRLJFFQP-SNVBAGLBSA-N 468.564 4.691 50 10 JJGE O=S1(=O)CCCC[C@@H]1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225633820 LMSFIWYCMKNNMR-NEPJUHHUSA-N 479.003 4.754 50 10 JJGE COc1cc(Br)c(OCCCCI)cc1Br 2243567831 ZTVFJMOBMHIBBV-UHFFFAOYSA-N 463.935 4.814 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCCc2ccccc2F)C1 2263389541 ORILECRTSUWTGV-IBGZPJMESA-N 463.331 4.590 50 10 JJGE CN(Cc1ccc(I)cc1)c1nc(CCl)ccc1Br 2265582017 CEDPGZHZOOJFEE-UHFFFAOYSA-N 451.533 4.824 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)NCCCCCCBr 2277933236 QHFMJKYBEFZXEN-UHFFFAOYSA-N 456.016 4.826 50 10 JJGE COc1cc(F)cc([C@@H](Br)c2ccc(OC)c(I)c2)c1 2285016526 YLUXTAIPDYELLI-HNNXBMFYSA-N 451.073 4.932 50 10 JJGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)C(=O)NCc1ccccc1 2293142352 AVFKZXBGFLRBLK-UHFFFAOYSA-N 491.341 4.950 50 10 JJGE C[C@@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)CC[C@@H]1CBr 2295310989 DXNPTVNIKFWPGT-ZYHUDNBSSA-N 468.027 4.634 50 10 JJGE COc1cc(C=CC(=O)Oc2ccc(C=C(C#N)C(N)=O)cc2OC)ccc1OCc1ccccc1C 2314738606 RSSFKUGBCAYAKJ-UHFFFAOYSA-N 498.535 4.602 50 10 JJGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2)cc1 2320510855 DYIRSGZOYPLDOF-UHFFFAOYSA-N 488.565 4.763 50 10 JJGE COc1ccc(-c2ccc(C(=O)NN=Cc3ccc(Br)cc3)c(C)n2)cc1OC 2321248352 LFWHAFZOBXUBDK-UHFFFAOYSA-N 454.324 4.601 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN=Cc1ccccc1OCc1ccccc1Cl 2328829500 UKVSCGFLMVVRAW-FQEVSTJZSA-N 457.958 4.769 50 10 JJGE CC1(C)CC(CBr)(CN=[S@@](C)(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 2345005238 WAIHTWWYEVEZKT-SANMLTNESA-N 451.471 4.685 50 10 JJGE FC(F)(F)[C@H]1CN(Cc2cc(I)ccc2Cl)C[C@H]1CBr 2380508715 IFBPZHPMXOUYBC-KOLCDFICSA-N 482.509 4.950 50 10 JJGE CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc3ccccc3OC)c2C)cc1 9093942 WLZHAUXKRHQKFO-RCCKNPSSSA-N 473.529 4.590 50 10 JJGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 14034400 SSEWMKNMSDHMCZ-UHFFFAOYSA-N 476.023 4.929 50 10 JJGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccc(C)cc1C 14768507 HMVXOKYYEZWJIP-VWLOTQADSA-N 473.573 4.694 50 10 JJGE CCn1c2ccccc2c2cc(C=NNC(=O)[C@@H](NC(=O)Cc3cccs3)C(C)C)ccc21 17150238 RJAVNUXZLAZRHU-VWLOTQADSA-N 460.603 4.710 50 10 JJGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)N2CCCCC2)cc1 35375241 IBZSDBULRSYDKQ-ZPHPHTNESA-N 456.546 4.704 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2OC)cc1 38656905 CBVHDVCDBSCSIU-RUZDIDTESA-N 472.497 4.540 50 10 JJGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc21 38700771 JWWLLVLHWHJHFE-SVBPBHIXSA-N 498.535 4.829 50 10 JJGE Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3F)nc3ccccn3c2=O)cc1C 39992995 LYZUJLJUDKRZSI-NBVRZTHBSA-N 454.461 4.788 50 10 JJGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCCC)c(OC)c2)c(OC)c1 40890447 RJFYZBPZZDRYEQ-VUPRMNMUSA-N 478.545 4.545 50 10 JJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4ccc(C(C)=O)cc4)o3)C2=O)cc1 101340293 VFOAOYYPXDPNOQ-PCLIKHOPSA-N 480.520 4.993 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2ccc(F)cc2)cc1 254395694 RVHGOISVGQQAQE-UHFFFAOYSA-N 499.498 4.686 50 10 JJGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(F)cc3)nnc2-c2ccc(C)cc2)cc1 254483242 ZENNNUHSZXDSTL-UHFFFAOYSA-N 475.549 4.633 50 10 JJGE CC(=NNC(=O)c1csc2c1CCCC2)c1cccc(NS(=O)(=O)c2ccccc2)c1 254788340 PBYRDVRRHFIRAC-UHFFFAOYSA-N 453.589 4.582 50 10 JJGE CC(=O)O[C@H](c1ccc([N+](=O)[O-])cc1)[C@H](CO[Si](C)(C)C(C)(C)C)NC(=O)C(Cl)Cl 504550400 CFLYOAVJFORAKJ-JKSUJKDBSA-N 479.433 4.509 50 10 JJGE COc1ccc(OCCNC(=O)Nc2cccc(C(=O)Nc3ccc(SC#N)cc3)c2)cc1 586624479 VPCCLVGAXGLWGW-UHFFFAOYSA-N 462.531 4.721 50 10 JJGE C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2Br)[C@@H]1CBr 688677402 ASDKXVAWHFQGSP-NOZJJQNGSA-N 454.000 4.847 50 10 JJGE O=C(c1scc(Br)c1Br)N1CCC[C@H](CCBr)C1 705410941 VJPIWXNWEKXIRC-MRVPVSSYSA-N 460.029 4.910 50 10 JJGE C[C@H](CCCCBr)NC(=O)c1ccc(I)c(Br)c1 721616653 VGNKZUZFCRYCEQ-SECBINFHSA-N 488.989 4.737 50 10 JJGE O=C(NNC(=S)NCC1CCC1)c1cc(-c2ccccc2)nc2cc(Br)ccc12 727864733 CSYWEFWLVLVCHT-UHFFFAOYSA-N 469.408 4.573 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)c(C)n1-c1ccc(F)cc1 808427685 BDVYTIBEZXXLOO-ZDLGFXPLSA-N 476.895 4.545 50 10 JJGE C#CCC1(O)CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)CC1 1303026817 RPIXHCGRUBHBCR-CPNJWEJPSA-N 456.373 4.685 50 10 JJGE C/C(=C/c1cccc(Cl)c1)C(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 1464569384 ZDCGXBHTJSGIBY-MHVKMUOSSA-N 459.977 4.518 50 10 JJGE O=C(Nc1cc([N+](=O)[O-])ccc1Cl)SC1[C@H](Cl)[C@H](Cl)N[C@@H](Cl)[C@H]1Cl 1615949159 ULQNVJBLNOZLKP-OINDSLJFSA-N 453.562 4.830 50 10 JJGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N/N=C\c1cccc(Cl)c1Cl 1860772879 KOWGVGRMQWZHQL-MRUKODCESA-N 457.342 4.582 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1ccccc1[N+](=O)[O-] 1865710220 RBGKEKMLBQFWAJ-INIZCTEOSA-N 475.814 4.730 50 10 JJGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3ccccc3NC(C)=O)CC2)n1 1868277898 LVNNHSUEMPFVRB-UHFFFAOYSA-N 473.606 4.641 50 10 JJGE FC(F)(F)[C@H](Br)COc1cc(Br)cc(I)c1 1900986025 OYWLBUVEBOHALP-MRVPVSSYSA-N 473.852 4.758 50 10 JJGE CCOc1cc(C(=O)NN=CC=C2N(C)c3ccccc3C2(C)C)cc(OCC)c1OCC 2042446297 OABDUYHRZHGLLD-UHFFFAOYSA-N 451.567 4.910 50 10 JJGE N#CC(=Cc1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1ccccc1I 2053514353 KXFZIYYLIIXRIJ-UHFFFAOYSA-N 484.249 4.795 50 10 JJGE CC1(C)C[C@@H](CBr)N(C(=O)c2cc(Br)ccc2Br)C1 2094749028 GAGIHUALXWBSNS-JTQLQIEISA-N 454.000 4.847 50 10 JJGE C[C@@]1(CCBr)CCN(C(=O)c2ccc(Br)cc2Br)C1 2131898872 JUHVVHIYQGXEPB-CQSZACIVSA-N 454.000 4.849 50 10 JJGE CC1(C)CCCN(C(=O)c2cc(I)ccc2Br)[C@@H]1CCl 2185813501 WZVVDJBUSDNWMC-CYBMUJFWSA-N 470.576 4.923 50 10 JJGE O=C(N[C@@H](CCCl)C1CCCC1)c1ccc(Br)cc1I 2207261753 MVDIENNWKUIBQW-AWEZNQCLSA-N 470.576 4.971 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C(C)(C)C)CN(CCCCI)C1 2248249688 MORHGMKJBADEAZ-HZPDHXFCSA-N 452.421 4.711 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@]12CC[S@](=O)(=NCCCCCCCBr)C2 2277455003 LNFGCFKEYSESOU-AFMDSPMNSA-N 451.471 4.973 50 10 JJGE C=CC[C@@]1(CCl)CCCN1C(=O)c1ccc(Br)cc1I 2287795430 ZRASOQFUDIQZAU-HNNXBMFYSA-N 468.560 4.843 50 10 JJGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C)cc3C)nc3ccccn3c2=O)cc1 2296544440 FMAXGIFEGWPNJH-UHFFFAOYSA-N 466.497 4.658 50 10 JJGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1scc(Br)c1Br 2310046772 IXHAPOAYXSSSBP-BMLSCUAFSA-N 458.013 4.565 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1O 2313518569 JLNZLYYXCMELSW-UHFFFAOYSA-N 468.678 4.595 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cc(OC)c(OC)c(OC)c2)sc2c1CC[C@H](C)C2 2314572075 RYYDEMNYWLVSHY-AWEZNQCLSA-N 484.574 4.621 50 10 JJGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CNCCc1ccc(OCC)c(OCC)c1 2325309780 VQGZYPKJUUTUTE-UHFFFAOYSA-N 479.577 4.619 50 10 JJGE CCOC(=O)c1nn(-c2ccc(C(C)C)cc2)c(=O)c2c(NC(=O)CCCCl)scc12 10247221 ZIEJTRSBKFIJIH-UHFFFAOYSA-N 461.971 4.705 50 10 JJGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 10683137 AEJIKJZLWFQTAL-HRAATJIYSA-N 474.001 4.886 50 10 JJGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1Cl 14643039 ABZCAOZZIRYXGG-LLVKDONJSA-N 460.155 4.601 50 10 JJGE COc1cc(Br)c(OCC(=O)N/N=C/C(C)=C/c2ccccc2)c(Br)c1 20075682 GLMXMNHWAZTHRR-GDNOROKQSA-N 482.172 4.805 50 10 JJGE Cc1c(C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cnn1-c1ccc(C(F)(F)F)cn1 23624085 OLDTVFFUSAYUNF-UHFFFAOYSA-N 489.454 4.537 50 10 JJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)cc1Cl 38602925 CEXIOJJSWSFPFM-UDWIEESQSA-N 472.932 4.813 50 10 JJGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)C1=O 38603546 RPFBZVPPPMZCCK-XDHOZWIPSA-N 450.922 4.930 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1 38650286 NZIASEUOBNFUDT-DEOSSOPVSA-N 462.889 4.551 50 10 JJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1 38650598 SELJGBQLODWKPG-VWLOTQADSA-N 456.498 4.921 50 10 JJGE COc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1OC 40846918 XORDSTUSLRGYIP-OQLLNIDSSA-N 468.594 4.657 50 10 JJGE COc1cccc(CN(C(=O)CCl)[C@@H](C(=O)NC2CCC(C)CC2)c2ccc(F)cc2)c1 97914691 FDPJQMPZURERSU-INYXTNAKSA-N 460.977 4.838 50 10 JJGE CCOC(=O)c1cc(-c2cccc(OC)c2)n(-c2ccc(C(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)n1 97940683 KVNVHPZTNPPIPZ-UHFFFAOYSA-N 487.468 4.852 50 10 JJGE CC1(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)c1ccccc1)c1nc3cc(Cl)c(Cl)cc3nc12 101106489 LCDZALZQSKOPRJ-NPMABZOXSA-N 455.345 4.553 50 10 JJGE CCCCCCNC(=O)/C(C#N)=C1/N=C(NC(=O)c2cccc(Br)c2)c2ccccc21 102985014 YDSDCWMMDOSLEJ-QZQOTICOSA-N 479.378 4.570 50 10 JJGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 206966979 CTLLQQSUZBILMP-CYVLTUHYSA-N 452.466 4.789 50 10 JJGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccccc2[N+](=O)[O-])c1 254394070 ZBSRZQSOKTVLBO-UHFFFAOYSA-N 483.480 4.805 50 10 JJGE Cn1cccc1C=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1 254658203 MLCKPZNYWFDZTE-UHFFFAOYSA-N 453.618 4.565 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CCl)[C@H](c2cccc(I)c2)C1 394788890 QKFYMWSIJGSCLS-WMZOPIPTSA-N 455.723 4.882 50 10 JJGE CC(=O)N1CCCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)c2ccccc21 1360898836 ASVKRFTVIONOIE-JWGURIENSA-N 456.521 4.930 50 10 JJGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1ccc(Cl)cc1 1865693030 KSUDYUPQFSKASW-OAQYLSRUSA-N 464.953 4.773 50 10 JJGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865698379 RRHOZHCLZZVZEZ-OAQYLSRUSA-N 469.328 4.536 50 10 JJGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865701001 JMFQYZNDXBEQND-QHCPKHFHSA-N 452.514 4.823 50 10 JJGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865708182 PYAJMVRGVXHGSS-HSZRJFAPSA-N 450.498 4.780 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccccc2C)cc1 1873794470 KQTFTHRDBSCADS-MWGGWIEZSA-N 453.583 4.964 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@H](Br)C12CCC2 1914420795 XXCXYXYRCIRDDM-SECBINFHSA-N 458.013 4.805 50 10 JJGE CC1(C)CC[C@H](Br)[C@H](CNC(=O)c2csc(I)c2)C1 1927042118 MAHZVBOFJZOERD-QWRGUYRKSA-N 456.187 4.672 50 10 JJGE CC1(C)CC[C@@H](Br)[C@H](CNC(=O)c2cccc(I)c2)C1 1927048424 FFEDWQVPSKKVEZ-GXTWGEPZSA-N 450.158 4.611 50 10 JJGE CC[C@H](C)[C@H](Br)CNC(=O)c1cc(I)ccc1Br 2029976409 CAKOOWBTBOPYPD-QPUJVOFHSA-N 488.989 4.593 50 10 JJGE FC(F)(F)c1cc(I)cc(CBr)c1I 2060237513 MXCVTKOALVMNRM-UHFFFAOYSA-N 490.826 4.810 50 10 JJGE C[C@H](Br)C[C@@H]1COCCN1Cc1ccc(Br)cc1Br 2128858928 NYWPPKPXVDCZCW-GXFFZTMASA-N 456.016 4.586 50 10 JJGE CC1(C)[C@@H](Br)CC[C@@H]1NC(=O)c1cccc(Br)c1Br 2142125284 DOOYWSNGDKAHEM-QWRGUYRKSA-N 454.000 4.894 50 10 JJGE C[C@@]1(CCl)CCCCN1C(=O)c1ccc(Br)cc1I 2142277975 XEEHWBNXNVFRJX-AWEZNQCLSA-N 456.549 4.677 50 10 JJGE O=C(c1cc(I)ccc1Br)N1[C@H]2CCC[C@@H](Cl)[C@H]1CC2 2154100211 IYEMWGFPDKOODC-ZLKJLUDKSA-N 468.560 4.818 50 10 JJGE Cc1cccc(C(=O)NC[C@@H]2CCCC[C@H](Br)C2)c1I 2163745245 GJRYPWBKYGYQRW-OLZOCXBDSA-N 450.158 4.673 50 10 JJGE Brc1ccc([C@H](CI)OCCCN2CCCCC2)cc1 2175869226 AULJIEBHOVPLQV-INIZCTEOSA-N 452.174 4.818 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Br)C2 2190677087 GSEVGAQVJRDVDZ-ZDEQEGDKSA-N 469.974 4.690 50 10 JJGE Cc1c(Br)sc([C@H](Br)c2cnn(C)c2I)c1C 2213627119 ICVGGCLCDKUKHS-MRVPVSSYSA-N 490.002 4.950 50 10 JJGE Cc1ccc(I)c(C(=O)N2CCC[C@H](CCCBr)C2)c1 2240926505 VJHDKBKEMQRZGQ-ZDUSSCGKSA-N 450.158 4.627 50 10 JJGE CN(Cc1cccc(I)c1)c1nc(Cl)c(CBr)s1 2254356838 QJVJCSYNHKGRFX-UHFFFAOYSA-N 457.562 4.932 50 10 JJGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc1 2296720352 VIGUFRRXVPOWRG-UHFFFAOYSA-N 450.498 4.958 50 10 JJGE BrCC[C@H]1CCN(Cc2ccc(I)c(Br)c2)C1 2306224736 AYTJSALOKCBJSB-JTQLQIEISA-N 472.990 4.661 50 10 JJGE CC(=O)OCCCN1C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C(C)=C(C#N)C1=O 2314620347 NVLOPZMQRSTYBI-UHFFFAOYSA-N 473.312 4.799 50 10 JJGE C=CC[C@H](Br)[C@H]1CCN1c1ncc(C(F)(F)F)cc1I 2360981577 PZDAAEVAWCVYNX-GXSJLCMTSA-N 461.063 4.623 50 10 JJGE C[C@@H](CBr)[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1I 2365590874 CYKVRLUBUWVJKJ-HZMBPMFUSA-N 470.576 4.970 50 10 JJGE C#CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(-c2ccccc2)cc1 20156979 AXMLPPDPPLHNGI-WGOQTCKBSA-N 463.331 4.657 50 10 JJGE COc1ccc(OC)c(/C=N/NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)c1Br 20551648 DENWLOXGYJZKQS-AVBCVLDCSA-N 450.160 4.508 50 10 JJGE COc1ccc(CC(=O)Oc2ccc(/C=C(/C#N)c3ccc(OC)c(OC)c3)cc2)cc1OC 31901151 CLZGMKMZUDKXOE-BKUYFWCQSA-N 459.498 4.933 50 10 JJGE N#C/C(=C/c1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O)c1nc2ccccc2s1 33628574 HDCUKAJODJOPJY-ZZEZOPTASA-N 490.592 4.695 50 10 JJGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)c1 38684422 OQEYLYAJZVJACC-HHHXNRCGSA-N 486.524 4.687 50 10 JJGE CCOc1cc(OCC)c(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Br 59104280 UVOLBGTYSJRSPE-WOJGMQOQSA-N 482.378 4.994 50 10 JJGE O=C(N/N=C(/CSc1nc2ccccc2o1)c1ccc(Br)cc1)c1cccnc1 59460746 IQAUHZGSQYTKFV-BWAHOGKJSA-N 467.348 4.912 50 10 JJGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(CC)cc1 101241471 YVPBQKBDBXYGBF-SSXUBFHHSA-N 451.979 4.631 50 10 JJGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1=O 101335563 FQWWPPMTJFBRJE-HZHRSRAPSA-N 486.959 4.821 50 10 JJGE CCOC(=O)C(C#N)=C1/C(=C\c2ccc(C(=O)OC)cc2)CC/C1=C\c1ccc(C(=O)OC)cc1 102925842 QJGQZEVTVRLXHU-NZUQJNBISA-N 471.509 4.904 50 10 JJGE Cn1c(=O)n(C)c2cc([C@H](Cl)c3ccc(Br)s3)c(Br)cc21 109883509 OOUIFMPGWYWUAZ-ZDUSSCGKSA-N 450.583 4.792 50 10 JJGE ClCCc1nc2cccnc2n1-c1cc(I)ccc1Br 383539916 PJRKYZPOXJYJAX-UHFFFAOYSA-N 462.516 4.569 50 10 JJGE ClCCc1nc2cnccc2n1-c1ccc(Br)c(I)c1 383556853 VNGZBELEFPAXCK-UHFFFAOYSA-N 462.516 4.569 50 10 JJGE CC1(C)C[C@H](Br)C[C@@H](NS(=O)(=O)c2cc(Cl)c(Br)s2)C1 693842761 WRJWXTIBYKADHR-HTQZYQBOSA-N 465.660 4.785 50 10 JJGE COc1cc(C=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)ccc1O 725406478 QZVSGPCUYQRMEM-UHFFFAOYSA-N 457.574 4.619 50 10 JJGE COc1ccc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)cc1OCc1ccc(Br)cc1 1084009069 ZGSJSNZQTBPEKZ-UHFFFAOYSA-N 484.306 4.709 50 10 JJGE C/C(=C\C(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 1151638476 MFORFYYOEBYCMN-ZHACJKMWSA-N 452.376 4.546 50 10 JJGE CC(=O)c1cc(NC(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)ccc1F 1476568158 QMMDZZGAODPLMN-UHFFFAOYSA-N 455.873 4.727 50 10 JJGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746142 QNHZUAGXMVZLIQ-UHFFFAOYSA-N 483.484 4.767 50 10 JJGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772747088 CYDJHQBGPXMQKP-UHFFFAOYSA-N 479.920 4.735 50 10 JJGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1O)CCC2 1772751651 IUDPHEJHXITIIB-UHFFFAOYSA-N 451.910 4.978 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865692413 LUWVMFIHJYAWPH-VWLOTQADSA-N 494.551 4.842 50 10 JJGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865693070 RDHWKROYRXNDGH-XMMPIXPASA-N 488.588 4.745 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)c(OC)c1 1872755512 RAWSVVDWTDXPSQ-PGMHBOJBSA-N 452.492 4.751 50 10 JJGE CCC(CBr)(CBr)NC(=O)c1c(Br)sc(C)c1C 2039504433 YXMGQVGFFKKWQN-UHFFFAOYSA-N 462.045 4.796 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Br)c(Br)s2)CC[C@@H]1CBr 2046678383 GKVWUEVJAFIYGI-HTQZYQBOSA-N 460.029 4.766 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@H](CBr)C(F)(F)C1 2090183638 GCHHEKLELPOLDT-LURJTMIESA-N 481.982 4.765 50 10 JJGE C[C@@H](Br)C[C@@H]1CCCN1C(=O)c1cccc(Br)c1Br 2092339560 FWGYMYKAVMENSD-ZJUUUORDSA-N 454.000 4.990 50 10 JJGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N1CC[C@H](OCc2ccccc2)C1 2123267132 DFIQIFMXBPEHCT-SFHVURJKSA-N 458.805 4.523 50 10 JJGE CN(CC[C@H](Br)c1ccccc1)C(=O)c1sccc1I 2168123953 DRAATXTVLSDSED-LBPRGKRZSA-N 464.166 4.951 50 10 JJGE O=C(c1cc(I)ccc1F)N(CCBr)C1CCCCC1 2169663098 MTXDJLKXFQBKCN-UHFFFAOYSA-N 454.121 4.600 50 10 JJGE CC[C@H](Br)[C@H]1CCCCN1C(=O)c1cc(I)ccc1F 2170618161 QBSANBLSVGBQRB-GXTWGEPZSA-N 454.121 4.599 50 10 JJGE O=C(NC[C@]1(CBr)C[C@@H]1C(F)(F)F)c1cc(Br)c(Cl)s1 2192562365 IOASPOUYEQZLJN-OIBJUYFYSA-N 455.521 4.857 50 10 JJGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C[C@@H]1Br 2241644765 PHRLRRNRNNYHRE-UZFJHSOTSA-N 485.422 4.839 50 10 JJGE Cc1cc(Br)c(C(=O)N[C@H]2C[C@H](Br)C2)cc1NC(=O)OC(C)(C)C 2252750035 RWDPMQXDEDFSBK-XYPYZODXSA-N 462.182 4.760 50 10 JJGE C=CC[C@]1(CBr)CCN(c2ncc(I)cc2Br)C1 2259480885 NHYKNVFKPLNOSL-CYBMUJFWSA-N 485.989 4.616 50 10 JJGE CC[C@](C)(CCBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277929395 BARCSBAXAOKKSN-CQSZACIVSA-N 456.016 4.824 50 10 JJGE COc1ccc([C@@H](Br)c2cc3c(ncn3C)s2)cc1I 2285001850 IIMWWERXHHNUSJ-CYBMUJFWSA-N 463.138 4.732 50 10 JJGE CC(=NNC(=O)c1ccc(Br)o1)c1cccc(NC(=O)C=Cc2ccccc2)c1 2295278264 ZOKHCNAGZPKTAN-UHFFFAOYSA-N 452.308 4.848 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@@H]1CCC[C@H]1CBr 2295314861 DROMJCBVQOVNFI-RYUDHWBXSA-N 468.027 4.682 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2C[C@H](Br)C[C@H]1C2 2295316867 DXLKEQKYMLJRAI-LEWSCRJBSA-N 466.011 4.529 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OC)c(OCc2ccc(C)cc2)c1 2328821136 NFXQKXACYZXHGE-CYFREDJKSA-N 483.609 4.972 50 10 JJGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(F)cc4)cs3)CC2=O)cc1 2331343539 AKLLMAMUPCAWNL-KRWDZBQOSA-N 477.517 4.972 50 10 JJGE CC[C@@H](N)Cc1cc(Br)c(OC[C@@H]2C[C@H]2Br)c(Br)c1 2332469809 IFACXYNAXRBWKJ-HBNTYKKESA-N 456.016 4.654 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H]2CC[C@@H](Cl)[C@@H]1C2 2355761428 VCHIJEDXBXCNER-IUPBHXKESA-N 468.560 4.676 50 10 JJGE CCOc1ccc([C@H](Br)c2c(Br)c(Br)nn2C)c(F)c1 2367475104 UWJCYGNKCGXPBM-JTQLQIEISA-N 470.962 4.967 50 10 JJGE N#CC1=C(N)OC2=C([C@@H]1c1ccccc1)S(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccccc12 33267912 NSHKYTWQMKMHTN-JOCHJYFZSA-N 475.957 4.866 50 10 JJGE CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)cc1 33432475 LIDOYWARVSDXAA-KQQLFIIESA-N 456.546 4.529 50 10 JJGE CCCCOc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OC 38608628 UIGGDFDFTRWNEV-XQNSMLJCSA-N 474.557 4.718 50 10 JJGE O=C(NNc1ncnc(Nc2cccc3cccnc23)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40626377 UQCDXOAYEOTPME-UHFFFAOYSA-N 491.511 4.952 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C(C)(C)C)cc1 40878814 ZGCRVUBVIQIYEY-XSFVSMFZSA-N 488.540 4.793 50 10 JJGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCc2ccco2)ccc1Cl 102847913 PFNZQKRQVCWVEA-ATVHPVEESA-N 474.904 4.573 50 10 JJGE CC(C)[C@H](C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])n1cnc2cc(F)c(F)cc21 109537466 OFRMSVKRRWYGDQ-QGZVFWFLSA-N 457.359 4.582 50 10 JJGE CCn1cc(CC(CBr)(CBr)c2ccc(Br)cc2)cn1 118878547 RWFYNIZUZJCJQL-UHFFFAOYSA-N 465.027 4.936 50 10 JJGE CCOc1cc(C=NNC(=O)COc2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 254459222 ZPJAVKDHGXMKAS-UHFFFAOYSA-N 456.901 4.986 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2ccccc2C)cc1 263630253 QSQCXBYZBMBKSX-UHFFFAOYSA-N 495.535 4.855 50 10 JJGE C[C@@H]1C[C@@H](CBr)CN(C(=O)c2cc(Br)sc2Br)C1 398699714 SOROHUJDIKGJQQ-SFYZADRCSA-N 460.029 4.766 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H]2C[C@@H](Br)CC[C@H]2C1 398851791 STYQWVVLKYDJNN-YIZRAAEISA-N 472.040 4.909 50 10 JJGE Cn1ncc(Br)c1[C@@H](Br)c1cc(Br)c2c(c1)CCCO2 693095016 YRJORHYKBFESGL-LBPRGKRZSA-N 464.983 4.754 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Br)cc(Br)c2)C[C@@]1(C)CBr 694701536 XGWNIYURPZPKQV-YMTOWFKASA-N 454.000 4.705 50 10 JJGE O=C(CCC(=O)Nc1ccc(Br)cc1)NN=Cc1ccccc1OCc1ccccc1 1084047284 LKBQURKLOVSJBQ-UHFFFAOYSA-N 480.362 4.897 50 10 JJGE CCOC(=O)Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccccc3Br)c2C)cc1 1084307192 AKVWQNZGIWCTRS-UHFFFAOYSA-N 482.378 4.726 50 10 JJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(Cl)cc2Cl)Cc2ccccc2)cc1 1084463651 OAIIWATWBJAVLW-UHFFFAOYSA-N 490.412 4.643 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccccc2)C(C#N)=C(N)O3)cc1 1865680806 WJZDNHVZEGEHLL-QHCPKHFHSA-N 452.489 4.964 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705653 BCODFLMJMBBXQE-MRXNPFEDSA-N 493.804 4.869 50 10 JJGE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1[C@H](O)CBr 1951631094 HEXOCLZSGXLRNR-SNVBAGLBSA-N 473.987 4.987 50 10 JJGE CC1(CBr)CCN(C(=O)c2csc(Br)c2Br)CC1 2032954226 ZCPPLGONQGRUON-UHFFFAOYSA-N 460.029 4.910 50 10 JJGE CC(C)[C@H](Br)c1cn(-c2ccc(I)cc2Br)nn1 2057428715 FKQONYADTGIWBR-LBPRGKRZSA-N 484.961 4.726 50 10 JJGE CC(C)(C)[C@@H](CCl)CNC(=O)c1cc(Br)ccc1I 2090195410 XMUOQCVLQPQXJU-VIFPVBQESA-N 458.565 4.685 50 10 JJGE C[C@H](Br)[C@H]1CCCCN1C(=O)c1c(Br)cccc1Br 2094096285 WINUQAGBZHEYSC-JOYOIKCWSA-N 454.000 4.990 50 10 JJGE CN(C(=O)c1ccc(I)c(Cl)c1)C1(CBr)CCCC1 2113809128 UNOHFPODJLABJD-UHFFFAOYSA-N 456.549 4.724 50 10 JJGE O=C(c1cc(I)ccc1Br)N1C[C@H]2CCC[C@@]2(CCl)C1 2159402081 SWILGSDEBNLRBK-MEBBXXQBSA-N 468.560 4.535 50 10 JJGE CN(C(=O)c1cc(Br)ccc1I)C1CCC(CCl)CC1 2171093585 FMKPMOBNTVIVHX-UHFFFAOYSA-N 470.576 4.923 50 10 JJGE C[C@@H](Br)CN(C(=O)c1cc(Br)cc(Br)c1)C1CCC1 2272443919 HNPGYTVUQVZSES-SECBINFHSA-N 454.000 4.990 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1[C@H](CBr)CCC12CCC2 2283666578 RBULJVGRQWCZBB-NSHDSACASA-N 468.560 4.867 50 10 JJGE BrC[C@]1(Cc2ccc(I)c(Br)c2)CC=CCO1 2306225353 DHDBOMVKLHBDFR-CYBMUJFWSA-N 471.958 4.706 50 10 JJGE Cc1nnsc1COc1c(Br)cc(Br)cc1CBr 2314328909 HPZQRVOKFGWWHD-UHFFFAOYSA-N 456.985 4.845 50 10 JJGE COc1ccc(-c2ccc(C(=O)NN=Cc3ccccc3Br)c(C)n2)cc1OC 2321248552 ZLDVIILALIAXAA-UHFFFAOYSA-N 454.324 4.601 50 10 JJGE CN[C@@H](c1c(C)cc(Br)c(OC)c1Br)C1CC(Br)C1 2339649066 RLUKRMJZBMHJCO-KJHLLKJSSA-N 456.016 4.963 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CC[C@H]2CC[C@H](Cl)[C@@H]1C2 2355761568 XAUVHZLBCQFMHZ-IIMNLJJBSA-N 468.560 4.676 50 10 JJGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)N/N=C/c4ccc(Cl)cc4Cl)c(=O)c23)C1 1783799 YQDRQYSOTGZIKS-JOCAPRCESA-N 463.390 4.601 50 10 JJGE COc1ccc(-c2cc(C(=O)NN=Cc3cc(OC)c(OC)cc3OC)c3ccccc3n2)cc1 13108618 CEUZLYKWOYURFG-UHFFFAOYSA-N 471.513 4.700 50 10 JJGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1C 39993062 FGUBMTBNRDMAIZ-NBVRZTHBSA-N 454.461 4.788 50 10 JJGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1ccccc1)CCC2 40815673 PRBJPOZKIAFSQS-MTDXEUNCSA-N 465.937 4.902 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Cl)c(C)c1 40929576 ORYDNMWORRGCLP-XDHOZWIPSA-N 494.931 4.848 50 10 JJGE CN(C)c1ccc(/C=N/NC(=O)c2ccccc2OCc2ccc(Br)cc2)cc1 96095882 XZMQPZVOKYKQIH-MFKUBSTISA-N 452.352 4.858 50 10 JJGE COc1ccc(/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1Cn1nc(C)c(Br)c1C 96507699 SFOGTUMQNDQABD-NDENLUEZSA-N 486.391 4.658 50 10 JJGE O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)NN=Cc1ccccc1O 252622536 NXQKMUHJFNLFMG-UHFFFAOYSA-N 450.951 4.686 50 10 JJGE COc1ccc(C(C)=NNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1OC 254378278 PMYJORXJTKETID-MHZLTWQESA-N 489.597 4.632 50 10 JJGE CC1(C)[C@H](Br)CCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 383303438 OBVYEMXZUAMXJE-SNVBAGLBSA-N 466.022 4.692 50 10 JJGE C[C@H](Br)[C@H]1CCCCN1C(=O)c1cc(Br)cc(Br)c1 688778323 RTFRJXBGJHCMAL-TVQRCGJNSA-N 454.000 4.990 50 10 JJGE CCOc1ccc(Br)cc1[C@H](Br)c1c(Br)cnn1C 693072454 ZQMAABPNHRAKFK-LBPRGKRZSA-N 452.972 4.828 50 10 JJGE COc1ccc(OC)c(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c1 1084548851 LOAGAKHJEANXCN-UHFFFAOYSA-N 489.359 4.507 50 10 JJGE CC(=O)c1cc(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)ccc1OC(C)C 1556549280 GQUXSXQJJBQSNF-UHFFFAOYSA-N 458.440 4.909 50 10 JJGE C=C(C)[C@H]1OCC[C@H]1CNC(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 1564675935 YMAFNBKJDXJHJK-GHTZIAJQSA-N 459.999 4.558 50 10 JJGE C=CCOc1ccc(Br)cc1NC(=O)NNc1ncc(Br)cc1C 1672214198 GNLQDKVZESMVIJ-UHFFFAOYSA-N 456.138 4.628 50 10 JJGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cccc(F)c1 1865691708 ZGDSPHAQIUHVMI-IBGZPJMESA-N 470.426 4.872 50 10 JJGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccncc2)C(C#N)=C(N)O3)cc1 1865702167 ONECTLGBVQPZDL-OAQYLSRUSA-N 455.905 4.814 50 10 JJGE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706461 XICFICUQSKDYQA-LJQANCHMSA-N 456.289 4.673 50 10 JJGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2[N+](=O)[O-])c1 1865709746 GAHRAKKWVDBVBW-GOSISDBHSA-N 469.423 4.693 50 10 JJGE CCOc1cc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OCc1ccccc1F 1873795383 GFYLKCXPXWIEAL-YJGSSNSBSA-N 487.572 4.803 50 10 JJGE CC(C)CN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br 1984649698 PWFOYPXTWVAHBY-UHFFFAOYSA-N 465.207 4.784 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNc1c(Br)cccc1[N+](=O)[O-] 2061261749 DGUZGHGJOUVDRI-UHFFFAOYSA-N 452.396 4.675 50 10 JJGE BrC[C@@H]1C[C@@H]2CCC[C@@H]2N1c1ncc(I)cc1Br 2069537025 CCCFGRSNRIIWSL-PEXQALLHSA-N 485.989 4.591 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2[C@H]3CC[C@H]4[C@@H](C3)C[C@H]42)C1 2077680552 LDHRKTBAPVSNKR-GJGMQZNTSA-N 461.384 4.642 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2I)[C@H](C)C[C@@H]1Cl 2093101652 NQSNMKSETJFQBR-LNLATYFQSA-N 456.549 4.532 50 10 JJGE CN(C[C@@H]1CCC[C@H]1Br)C(=O)c1c(Br)cccc1Br 2094094898 HDYBGIWHYRDEIR-VHSXEESVSA-N 454.000 4.847 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@@H](Br)CC12CC2 2113559419 ROORRDUHZZDUHD-SECBINFHSA-N 451.984 4.744 50 10 JJGE C[C@H](Cl)[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2142288476 KUIYFJSZCULTAL-ZANVPECISA-N 456.549 4.676 50 10 JJGE CCCN1CCC[C@@H]([C@@H](Br)c2cc(Br)c(Cl)s2)S1(=O)=O 2172562410 LHOFYCKLOGLZRY-QWRGUYRKSA-N 465.660 4.804 50 10 JJGE CC(C)(C)OC(=O)N[C@H]1CN(CCCCCI)C[C@@H]1c1ccccc1 2220217222 VNRLSOXXVVXILX-MSOLQXFVSA-N 458.384 4.584 50 10 JJGE CC1(C)CN(C(=O)c2cc(Cl)ccc2I)C[C@H]1CCBr 2238463089 LENIBLDQRIEQGE-SNVBAGLBSA-N 470.576 4.828 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CCC[C@H](CCBr)CC1 2283652092 PPSAEVFUGQQHCL-LLVKDONJSA-N 470.576 4.972 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1[C@H](CBr)C[C@@H]2CCC[C@H]21 2283662879 LEKQDHRXIJSNDS-NURSFMCSSA-N 468.560 4.723 50 10 JJGE C[C@@]12CC[C@@](CBr)(C1)N(C(=O)c1ccc(Cl)c(I)c1)C2 2283666995 TUJRPVPYMJVRTR-CABCVRRESA-N 468.560 4.724 50 10 JJGE CS(=O)(=O)C1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CCC1 2288357920 UUYSOHJIEPKPPK-NSHDSACASA-N 496.993 4.893 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H](Br)CC2(CC2)C1 2295313149 FZIGXITUJGSGDP-CYBMUJFWSA-N 466.011 4.530 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1CCC[C@H](CBr)C1 2295314903 FDHLWXIYNANDGI-HZMBPMFUSA-N 468.027 4.824 50 10 JJGE CC1(C)CN(Cc2ccc(I)c(Br)c2)C[C@@H]1Br 2306225426 WDCWXXBNIGKBRL-LBPRGKRZSA-N 472.990 4.659 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccccc1Cl 2314737343 ZOPOWBPBDAVAOJ-UHFFFAOYSA-N 476.916 4.556 50 10 JJGE COc1ccccc1C=C(C#N)C(=O)Oc1ccc2cc(C(=O)N[C@H](C)c3ccccc3)c(=O)oc2c1 2314750972 HVQVPEWYXPACRX-GOSISDBHSA-N 494.503 4.805 50 10 JJGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NN=Cc1cccc(OCc2ccccc2)c1 2328796744 DYGJZOKZCXPXKP-VWLOTQADSA-N 473.573 4.852 50 10 JJGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccccc4OC)cs3)CC2=O)cc1 2331281948 LKQJWKWULGTHRJ-QGZVFWFLSA-N 489.553 4.841 50 10 JJGE Clc1ccc(I)cc1CN1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 2352418246 SGMLKTWBDOJMTN-GMXVVIOVSA-N 454.577 4.940 50 10 JJGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 14643419 RTSGCIUIQICPPY-SJORKVTESA-N 485.378 4.601 50 10 JJGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2cc(Br)ccc2OC(C)C)c1 14668039 WOTKBMAKLDOAHS-UHFFFAOYSA-N 463.372 4.508 50 10 JJGE CCCOc1ccccc1C(=O)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 14766876 MTYDMETWOXHCPC-UHFFFAOYSA-N 497.389 4.934 50 10 JJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1 38658081 OTAYPZDVDGHFKX-XMMPIXPASA-N 469.453 4.597 50 10 JJGE CCCCc1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 40581296 LYBHNQPCPKEANR-UHFFFAOYSA-N 485.888 4.790 50 10 JJGE O=C(N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1cc(Cl)ccc1O 59158299 JECLOFKXLIIDEB-ZZIIXHQDSA-N 455.901 4.880 50 10 JJGE O=C(N/N=C(/CSc1nc2ccccc2o1)c1cccc(Br)c1)c1cccnc1 59460763 UBVVWABSHJICER-BWAHOGKJSA-N 467.348 4.912 50 10 JJGE N#C/C(=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1O 97994795 KGHCPXDODLJIPC-WJDWOHSUSA-N 463.833 4.719 50 10 JJGE O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/c1ccc(N(CCCl)CCCl)cc1 103812945 CKNBSEUQMQYTRB-LTGZKZEYSA-N 482.367 4.790 50 10 JJGE Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1cc(C)n(Cc2cccs2)c1C 105366034 JMOMXUDMMIQNNB-UHFFFAOYSA-N 450.589 4.721 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CCC[C@H]1CCCBr 161199996 LHFCLAPQDAMRFN-LLVKDONJSA-N 454.000 4.991 50 10 JJGE COc1cc(/C=N\NC(=O)Cc2ccc(N)cc2)ccc1OCc1ccc(Cl)cc1Cl 169900468 ZDJOUDLHHVDBBI-WKIKZPBSSA-N 458.345 4.856 50 10 JJGE O=C(CN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)Nc1nc(CCl)cs1 170535193 NYMASLMVNHUVGI-UHFFFAOYSA-N 473.552 4.730 50 10 JJGE O=C(NC[C@@H]1CCCC[C@H]1Br)c1ccc(Br)cc1Br 232486734 RWOIVEIQUKMHRG-JOYOIKCWSA-N 454.000 4.895 50 10 JJGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)OCC(F)(F)F)[C@H]2Br 256019859 IUJFOSHHSAPORQ-CYUDJLOBSA-N 486.948 4.778 50 10 JJGE O=C(N[C@@H](CBr)C1CCCCC1)c1cccc(F)c1I 721676488 BZAZKDBULJSYFM-ZDUSSCGKSA-N 454.121 4.504 50 10 JJGE COc1cc(C=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1Cl 1084095472 UFDWOESWPNIBQV-UHFFFAOYSA-N 453.882 4.529 50 10 JJGE COc1ccc(C(=O)NN=Cc2ccc(-c3ccccc3)cc2)cc1I 1084313602 DFLBJMIGAPUIJE-UHFFFAOYSA-N 456.283 4.731 50 10 JJGE Cc1cc(C)nc(S[C@H](C)C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)n1 1084467455 RRXIXUIKOQEXOK-QGZVFWFLSA-N 454.983 4.957 50 10 JJGE CN(C(=O)c1ccccc1)[C@@H]1Cc2ccccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1088705510 NOWVIPRBKSXVSX-JZTBXADISA-N 482.462 4.808 50 10 JJGE CC(=O)N1CCN(C(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)CC12CCCCC2 1521104728 FDZJZMSRBPKPLG-JJIBRWJFSA-N 450.627 4.911 50 10 JJGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1ccccc1Cl 1865693881 RKFXRWHOTAVJIR-OAQYLSRUSA-N 450.926 4.519 50 10 JJGE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702508 BFVOLIJBSYWDFX-RUZDIDTESA-N 463.541 4.935 50 10 JJGE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705592 ZSXMDJHAPOMSJU-HSZRJFAPSA-N 456.546 4.929 50 10 JJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc1 1865709440 VKFHHUHHMIRQSE-HSZRJFAPSA-N 478.508 4.553 50 10 JJGE N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccccc1I 1866128833 OMLMWHYDEOMGDQ-FMIVXFBMSA-N 453.077 4.599 50 10 JJGE CS(=O)(=O)C1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1 2002551998 QOWGDSDPVLHFNZ-LURJTMIESA-N 487.460 4.893 50 10 JJGE CN(c1ncc(I)cc1Br)[C@@H]1CCCC[C@@H]1Br 2015756938 MRPWQGWIKCLJBG-GXSJLCMTSA-N 473.978 4.591 50 10 JJGE C[C@]1(CBr)CCCN(C(=O)c2cccc(Br)c2Br)C1 2092332831 KCBDBWYMEYCZDY-CQSZACIVSA-N 454.000 4.849 50 10 JJGE CC(C)CN(CCBr)c1ncc(C(F)(F)F)cc1I 2097989110 GLNJFVYRWYOJJF-UHFFFAOYSA-N 451.068 4.562 50 10 JJGE COC[C@H](C)OC[C@@H](Br)CCc1cccc(Br)c1Br 2099444683 VCGPWPJQDKVCON-JQWIXIFHSA-N 459.016 4.959 50 10 JJGE CN(C1CC(OCc2ccccc2)C1)S(=O)(=O)c1ccc(CCl)c(Br)c1 2100214393 FGLTWIMYRBTYGO-UHFFFAOYSA-N 458.805 4.556 50 10 JJGE CN(C[C@@H](Br)C1CCCCC1)C(=O)c1sccc1I 2111355242 CRGJYGRWNSXQJO-LLVKDONJSA-N 456.187 4.769 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@@H](CBr)C12CC2 2133825897 SPMYDIWDACYADT-VIFPVBQESA-N 451.984 4.601 50 10 JJGE CN(C(=O)c1ccc(I)c(Cl)c1)C1(CCBr)CCC1 2140976692 XDJVLDQZYHCXKS-UHFFFAOYSA-N 456.549 4.724 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CCCC[C@H]1CCCl 2142285034 KMIRVHKYMZEIOT-NSHDSACASA-N 456.549 4.677 50 10 JJGE CC1(C)CCN(C(=O)c2cc(I)ccc2Br)C[C@@H]1CCl 2148664606 BVFDHMURJUYZLT-JTQLQIEISA-N 470.576 4.781 50 10 JJGE BrC[C@@H]1CN(Cc2c(Br)cccc2Br)CC2(CCC2)O1 2165751565 HOPIDVHPBHEDKC-LLVKDONJSA-N 468.027 4.730 50 10 JJGE C[C@H]1[C@H](C(F)(F)F)N(Cc2ccc(CBr)cc2)CCN1C(=O)OC(C)(C)C 2182844570 FXINNTNLUYUXQB-XJKSGUPXSA-N 451.327 4.954 50 10 JJGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)Cc1ccc(Br)cc1 2210633117 SDXHEICHBSAHRV-AWEZNQCLSA-N 461.219 4.565 50 10 JJGE BrC[C@@]12CCCO[C@H]1CN(Cc1ccc(Br)cc1Br)C2 2238828821 XMHUDHLSBIOGCT-LSDHHAIUSA-N 468.027 4.588 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2283665204 URXQMKMNUSPGJI-YHPBZONMSA-N 468.560 4.723 50 10 JJGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCC(=O)O)c(Br)c2)cc1 2294146917 BWHBFUGEELPDJV-UHFFFAOYSA-N 479.714 4.510 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1OC 2331242402 YCEUDXGNHJZTCK-JOCHJYFZSA-N 489.553 4.941 50 10 JJGE CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@]3(CBr)CC3(F)F)C2)CC1 2379985925 LYHWTXTUHNUOLZ-QFBILLFUSA-N 451.396 4.766 50 10 JJGE O=C(COc1ccccc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccccc1)Nc1ccccc1 2774511 CSWISCSIYNXANZ-NDZAJKAJSA-N 492.535 4.720 50 10 JJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2OCCc2ccccc2)cc1 10509119 WYXQSDBWWIFWEA-UHFFFAOYSA-N 493.563 4.944 50 10 JJGE CCOc1ccccc1[C@H]1C(C#N)=C(N)OC2=C1S(=O)(=O)N(Cc1ccccc1)c1ccccc12 20558255 UOAPCHFOAMEZNM-DEOSSOPVSA-N 485.565 4.612 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)c1OC 38658944 NGKVMMUTPJNYFF-AREMUKBSSA-N 486.524 4.523 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1 38685817 MFTUKZSPNQAFHD-AREMUKBSSA-N 470.525 4.905 50 10 JJGE Cc1ccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2N)cc1Cl 40703805 JVAQAOQSBCAHNN-UHFFFAOYSA-N 467.744 4.593 50 10 JJGE CC1CCC(CBr)(NS(=O)(=O)c2ccc(Br)cc2Cl)CC1 136594697 XOMPHZYDVPZYGO-UHFFFAOYSA-N 459.631 4.725 50 10 JJGE COc1ccc(CCNC(=O)/C(C#N)=C\Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 216777990 UWQQZKLHZJNLIK-OWBHPGMISA-N 453.848 4.554 50 10 JJGE Cc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3cc4ccccc4cc3O)cc2[N+](=O)[O-])c1 254438960 IXUVRZIHUHFMHP-UHFFFAOYSA-N 469.453 4.745 50 10 JJGE CCn1c(SCC(=O)NN=Cc2c[nH]c3ccccc23)nnc1-c1ccc(C(C)(C)C)cc1 254626388 HHVBIKOCERVAED-UHFFFAOYSA-N 460.607 4.986 50 10 JJGE O=S(=O)(c1cc(Br)cc(CCl)c1F)N1CCC(OCc2ccccc2)CC1 383888424 IRANIYKGQVDXDV-UHFFFAOYSA-N 476.795 4.697 50 10 JJGE FC(F)(F)Oc1cc(I)cc(Br)c1CBr 575696077 RNTQDUVYYADPAJ-UHFFFAOYSA-N 459.825 4.847 50 10 JJGE C[C@@H](Br)C[C@H]1CCCN1c1ncc(C(F)(F)F)cc1I 686113010 KMVKCPZNRVKJGB-PSASIEDQSA-N 463.079 4.847 50 10 JJGE CCn1cc([C@@H](Cl)c2cc(I)cc3c2OCC3)nc1Br 710751231 GNIQSHFGTRDWOA-LBPRGKRZSA-N 467.532 4.533 50 10 JJGE Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCC(NC(=O)c4ccoc4C)CC3)c2C)c1 727333337 TUPYBNCRKMNCTJ-XQNSMLJCSA-N 470.573 4.632 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1 1084062008 WSLMKJYCPWJUPF-DEOSSOPVSA-N 477.517 4.536 50 10 JJGE N#C/C(=C/c1cn(CCCOc2ccccc2Cl)c2ccccc12)C(=O)NC[C@H]1CCCO1 1084585178 CRWBQDNKMFELMG-OHUBLEDJSA-N 463.965 4.966 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865711974 MOLQJJAXZVKEDC-DEOSSOPVSA-N 482.515 4.973 50 10 JJGE CCC[C@@H](NC(=O)CCc1csc(-c2ccncc2)n1)C(=O)Nc1ccc(SC#N)cc1 1867064619 XURYRXPABUXGDE-HXUWFJFHSA-N 465.604 4.634 50 10 JJGE O=C(NCC1CCC(CCl)CC1)c1ccc(I)c(Br)c1 1922680196 NOMJWJDFBUWATL-UHFFFAOYSA-N 470.576 4.829 50 10 JJGE O=C(NC[C@H](CBr)C1CCC1)c1csc(Br)c1Br 2032955564 ALWJUVHXOMRBDC-QMMMGPOBSA-N 460.029 4.814 50 10 JJGE CC(C)[C@H]1[C@@H](Br)CCN1C(=O)c1cc(Br)sc1Br 2062177108 BJADCMAMRRKFFM-WPRPVWTQSA-N 460.029 4.907 50 10 JJGE CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12CI 2080598060 FSCNQGWVBRCFHP-DLTCRYBYSA-N 498.401 4.682 50 10 JJGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)c1 2084289617 ANUWAHXYULDKHK-SILNSSARSA-N 468.447 4.902 50 10 JJGE Cc1cc(COc2c(Br)cc(CBr)cc2Br)ncn1 2089437061 ASUWYRXIQXZYKJ-UHFFFAOYSA-N 450.956 4.784 50 10 JJGE O=C(N[C@@H]1CCC[C@@H]1CCBr)c1cc(Br)ccc1Br 2090571747 KASYOBPMNNZRPO-NOZJJQNGSA-N 454.000 4.895 50 10 JJGE CN(C(=O)c1c(Br)cccc1Br)[C@@H]1CCCC[C@@H]1Br 2094088063 HCMOGIDEARLPRA-JOYOIKCWSA-N 454.000 4.990 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@@H](Br)CC12CCC2 2099391225 FMNDLBRLEZCTHL-JTQLQIEISA-N 451.984 4.744 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@@H](Br)[C@@H]1C1CC1 2130610991 IXLUZBRYQHZYFO-OLZOCXBDSA-N 451.984 4.600 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CCC[C@H]1CCCCl 2142279976 XJPVBJPQBMEAOR-LLVKDONJSA-N 456.549 4.677 50 10 JJGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(CCCBr)cc1 2179858010 IEODJTCLAPNLAD-UHFFFAOYSA-N 454.430 4.630 50 10 JJGE C[C@@]12CC[C@@](CBr)(C1)N(C(=O)c1cc(Cl)ccc1I)C2 2199511214 GOCALOUYXUNTLH-CABCVRRESA-N 468.560 4.724 50 10 JJGE Cc1ccc(I)c(C(=O)NC[C@H]2CCCC[C@@H](Br)C2)c1 2240924471 LULJKKOKNUPNLF-QWHCGFSZSA-N 450.158 4.673 50 10 JJGE CCc1cc([C@@H](Br)c2cnn(C)c2I)sc1Br 2248006527 ZQYIARYBQLCJPV-VIFPVBQESA-N 490.002 4.895 50 10 JJGE C[C@H]1C[C@@H](C(F)(F)F)N(CC2(CBr)CC(F)C2)CCN1C(=O)OC(C)(C)C 2280360107 REMFIWYSWDDOFO-PEUXKQIOSA-N 461.338 4.762 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@H](Br)C(F)(F)CC1 2283653113 CJBRPSTXTLTBDW-NSHDSACASA-N 478.502 4.579 50 10 JJGE C#CCOc1cc(Br)c(C=C(C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 2294187433 NUXBUCIAIZEIHQ-UHFFFAOYSA-N 459.727 4.977 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CCCC[C@@H](CBr)C1 2295307634 MLURQYPHBSPICZ-NSHDSACASA-N 468.027 4.778 50 10 JJGE COC[C@@]1([C@@H](Br)c2sc(Cl)cc2I)CCCO1 2301086450 ODCPZRHLQQWECG-WDEREUQCSA-N 451.551 4.638 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1c(C)cccc1C 2314736998 GAJDOEIRVNCLAC-UHFFFAOYSA-N 470.525 4.520 50 10 JJGE COCc1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)s1 2316832996 ULVJQXUFEFAWHY-MRVPVSSYSA-N 459.001 4.637 50 10 JJGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccc(N)c(Cl)c1 2325387704 CEUVYFHYDIQNIP-UHFFFAOYSA-N 471.992 4.675 50 10 JJGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNC12CC3CC(CC(C3)C1)C2 2325408184 KJNDIVXPKDBHAT-UHFFFAOYSA-N 461.347 4.504 50 10 JJGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1cc(Br)ccc1Br 2330898533 AAPSDXFNXAUYTE-VLIVSTDHSA-N 451.984 4.503 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)c(OC)c1OC 2331413942 WFXMVZBPJYGNDO-UHFFFAOYSA-N 498.473 4.911 50 10 JJGE O=C(NC[C@H]1CCC[C@@H](Br)C1)c1ccc(Cl)cc1I 2340054425 MSGPYYNBXSDEDK-VHSXEESVSA-N 456.549 4.628 50 10 JJGE O=C(NC[C@@]1(CBr)CC12CCC2)c1ccc(Cl)cc1I 2365592465 NJUQAKMEHYYOGY-HNNXBMFYSA-N 468.560 4.630 50 10 JJGE CCOC(=O)/C(C#N)=C1/S[C@@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(C)cc1 2888298 AOAMTNHLIFEAIC-PMIVHWTLSA-N 471.376 4.747 50 10 JJGE CCCCCOc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 14035794 NOXJHEFYRXUTQK-UHFFFAOYSA-N 459.546 4.891 50 10 JJGE N#C/C(=C/c1cccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)c1)c1ccc(Cl)cc1 31903059 ODRJOMHJIDJLAI-RGEXLXHISA-N 456.885 4.996 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@@H]1c1ccc(F)cc1 38653275 JTQDIFSBDQZABK-QHCPKHFHSA-N 450.853 4.682 50 10 JJGE CCCc1ccc(OCC(=O)N/N=C/c2ccc(Br)cc2)c(Br)c1 40959975 BSLYJBMCFWXBRJ-SRZZPIQSSA-N 454.162 4.693 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccccc3)cs2)cc(Br)c1O 98063468 HGXIZYKPVOYSGW-AUWJEWJLSA-N 456.321 4.832 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1OC 205648398 CYPXWCHCGRCSMU-ZRUILDMBSA-N 454.482 4.541 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1 205661035 ZJQFJTOOQLPIOM-FQIPAWCJSA-N 468.509 4.931 50 10 JJGE COCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)C1=O 214290947 ILIWKGGUFZPHHX-UCQKPKSFSA-N 484.531 4.616 50 10 JJGE COc1ccc(OCC(=O)NN=Cc2c(OC(=O)c3ccc(OC)cc3)ccc3ccccc23)cc1 254487574 FHLPYFYQECUQON-UHFFFAOYSA-N 484.508 4.605 50 10 JJGE O=C(COc1ccc2ccccc2c1)NN=Cc1ccc(OC(=O)/C=C/c2ccccc2)cc1 254850391 ZGJJBJONYUPULJ-ATKXVRBNSA-N 450.494 4.988 50 10 JJGE Brc1cnc([C@@H]2CCC[C@@H](CI)O2)c(Br)c1 309476837 VELWWXRYKGPXOR-WPRPVWTQSA-N 460.935 4.652 50 10 JJGE COc1ccsc1[C@H](Br)c1cc(I)cc2c1OCC2 388492576 DLTOAULDEKKILE-GFCCVEGCSA-N 451.123 4.781 50 10 JJGE CC1(CCl)CCN(C(=O)c2cc(I)ccc2Br)CC1 401840736 RATFEOLPZLPGSD-UHFFFAOYSA-N 456.549 4.535 50 10 JJGE O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NN=Cc1cccc2ccccc12 1084243286 OFRWKPSVIAQQJC-UHFFFAOYSA-N 477.973 4.839 50 10 JJGE CC1=C(C(=O)NN=Cc2ccc(Cl)cc2Cl)[C@H](c2ccccc2Cl)NC(=S)N1 1084438795 CDRTUDSUYPHYRN-KRWDZBQOSA-N 453.782 4.590 50 10 JJGE COC(=O)c1ccc(OCCCOc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)cc1 1858863620 SZBRWEAMHCEEQS-UHFFFAOYSA-N 478.530 4.933 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865715149 XQHAINKDWPXJJM-HXUWFJFHSA-N 483.887 4.508 50 10 JJGE Cc1ccc(/C=C(\C#N)C(=O)N[C@H](CCC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 1866126437 QKRFJPXCAYICRL-SJRDFNEDSA-N 496.563 4.654 50 10 JJGE COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1872727161 BGCXATRYPRAQAM-RGVLZGJSSA-N 498.900 4.814 50 10 JJGE O=S(=O)(c1ccc(CBr)c(Br)c1)N(Cc1ccccc1)CC(F)F 2009711043 RKOAZXIBBDBVFJ-UHFFFAOYSA-N 483.172 4.800 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC[C@H]1C[C@@H]1C1CCCCC1 2022595093 ROGLTSOQRKKWCX-MDZRGWNJSA-N 451.389 4.938 50 10 JJGE C[C@H]1CCCN(C(=O)c2csc(Br)c2Br)[C@@H]1CBr 2032956196 MXCUQIXFIWGYML-IONNQARKSA-N 460.029 4.909 50 10 JJGE Cl[C@H](c1cc(I)sn1)c1cc(Br)cc2c1OCC2 2056488197 SFPDUBZYYWPKSM-NSHDSACASA-N 456.530 4.773 50 10 JJGE CN(c1ncc(Br)cc1Br)[C@@H](CCBr)C(F)(F)F 2058234730 PFTQFLJMGYBZJF-QMMMGPOBSA-N 454.910 4.759 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@@H](Br)C2(CC2)C1 2093180247 HQNMVLLSPDRTCW-GFCCVEGCSA-N 451.984 4.601 50 10 JJGE CC(C)N(CCOCCBr)C(=O)c1csc(Br)c1Br 2093946795 JCWUTFAPNJKNFB-UHFFFAOYSA-N 478.044 4.535 50 10 JJGE O=C(NC[C@@]1(CBr)CC12CCC2)c1csc(Br)c1Br 2097904628 QNLCCIFJCYADHA-ZDUSSCGKSA-N 472.040 4.958 50 10 JJGE FC(F)C(F)(F)C[C@H](Br)c1cc(I)cc2c1OCC2 2110365920 USXIBPIVKACMKP-VIFPVBQESA-N 453.011 4.953 50 10 JJGE CC(C)[C@@H](Br)c1cn(Cc2c(Br)cccc2Br)nn1 2121069153 XNQKDDCODJRIRH-CYBMUJFWSA-N 451.988 4.943 50 10 JJGE C[C@@H](Br)C[C@@H]1COCCN1Cc1ccc(Br)cc1Br 2128858930 NYWPPKPXVDCZCW-ZWNOBZJWSA-N 456.016 4.586 50 10 JJGE CC[C@H](Br)CN(CC)S(=O)(=O)c1cc(Br)c(C)cc1Br 2162889839 WTJGILRGGRIBFU-JTQLQIEISA-N 492.071 4.704 50 10 JJGE O=C(NC1(CCBr)CCCCC1)c1cc(I)ccc1F 2169662607 NNFIIMWFNYGVSW-UHFFFAOYSA-N 454.121 4.648 50 10 JJGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@H](Br)CCC12CCC2 2174533185 RKDIBZMYEKUXDN-MRVPVSSYSA-N 463.644 4.635 50 10 JJGE ClCCOCCOCC#Cc1sc(Br)c(Br)c1Br 2222467431 SPLVGIVSPAGBDL-UHFFFAOYSA-N 481.431 4.659 50 10 JJGE COc1ccc(C(=O)N(C)C[C@H](Br)COCc2ccccc2)c(Br)c1 2223998561 ZANGGTFOPBCFTF-HNNXBMFYSA-N 471.189 4.510 50 10 JJGE C[C@H](NC(=O)c1ccc(Cl)c(I)c1)[C@@H]1CCC[C@H]1Br 2268351145 FKRJITRRTULDOC-INTQDDNPSA-N 456.549 4.627 50 10 JJGE CC(C)([C@@H](Br)c1c(F)cc(Br)c(F)c1Br)S(C)(=O)=O 2272741643 VLCWFPMZVIKJFD-JTQLQIEISA-N 484.982 4.749 50 10 JJGE O=C(NC[C@]12CCC[C@]1(CBr)C2)c1ccc(Cl)c(I)c1 2283664802 KIZKAFJDEZSKEZ-HUUCEWRRSA-N 468.560 4.630 50 10 JJGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1ccc(Cl)cc1I 2303706764 ISPBJXYFOUHCKC-HNNXBMFYSA-N 478.157 4.889 50 10 JJGE CCOC(=O)COc1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 2314489931 ULCYKOQUBZDWJE-UHFFFAOYSA-N 482.842 4.855 50 10 JJGE CC(C)(CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1I)Cc1ccccc1 2316845400 KXRNCEKVZVPWIN-DLBZAZTESA-N 459.368 4.695 50 10 JJGE O=C(NN=Cc1ccc(OCCCc2ccccc2)cc1)c1cc(-c2cccs2)nc(O)n1 2323701018 BLFGYOQUANMEBY-UHFFFAOYSA-N 458.543 4.686 50 10 JJGE CC(C)COc1ccccc1C=NNC(=O)c1ccc(Nc2nc(O)c3ccccc3n2)cc1 2323766065 GRMZIOCITLDXGG-UHFFFAOYSA-N 455.518 4.878 50 10 JJGE O=C(NCC(F)(F)C(F)(F)CI)c1ccc(Cl)cc1Br 2361680113 UBRBCPQONMYSRD-UHFFFAOYSA-N 488.444 4.538 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2CCCCC23CCOCC3)C1 2368371282 JONZJJUCIPBBDL-LAUBAEHRSA-N 493.426 4.947 50 10 JJGE COc1cc(C=NNC(=O)c2cccc(Cl)c2)ccc1OCCOCCOc1ccc(C)cc1 8842938 USZQFMWHDLPSTR-UHFFFAOYSA-N 482.964 4.895 50 10 JJGE CC(C)c1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 14040255 ZZNISWGWAMNJHY-SFHVURJKSA-N 451.567 4.557 50 10 JJGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)c1cc(Br)ccc1OCC(C)C 14666893 DKHMMQRFGAZNDA-INIZCTEOSA-N 477.399 4.837 50 10 JJGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Oc1cccc2ccccc12 40683293 QVRHPMLOCKJLGQ-UHFFFAOYSA-N 450.296 4.524 50 10 JJGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1C 101242574 XLHZOIVPNHMXQC-YDYXIROLSA-N 457.555 4.639 50 10 JJGE CC(C)NC(=O)COc1ccc(C=NNC(=O)CSC2c3ccccc3-c3ccccc32)cc1 254734773 VVEXODUTCUBMKL-UHFFFAOYSA-N 473.598 4.543 50 10 JJGE CC(=NNC(=O)c1cc(Br)ccc1O)c1cccc(NC(=O)c2ccccc2F)c1 254752745 ZSVJHZBBJZICQN-UHFFFAOYSA-N 470.298 4.700 50 10 JJGE O=C(N[C@@H]1CCC[C@@H](CBr)C1)c1cc(Cl)ccc1I 311582435 IKJZCYBZYLNGOP-MWLCHTKSSA-N 456.549 4.628 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc(F)cc2)c(-c2ccc(Cl)cc2)n1 782093946 BSILBZPJPHMPAU-PDGQHHTCSA-N 462.868 4.589 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c(C)n1CC(C)C 855280237 FQGYDHDBIWYYQJ-KLSKMWHSSA-N 464.591 4.660 50 10 JJGE C=CCOc1ccc(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1OC 1135718755 HHAWJFGIUUAOON-WLRTZDKTSA-N 452.507 4.602 50 10 JJGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746496 WKMQYPSMDRLLDP-OAHLLOKOSA-N 472.501 4.558 50 10 JJGE CC[C@@H](Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccccc1 1858690556 RYKRDQZDGPUYHR-LJQANCHMSA-N 451.435 4.502 50 10 JJGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683284 CEUHWXRPVRCIIF-FQEVSTJZSA-N 465.351 4.814 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1ccc2c(c1)OCCO2 1865697804 CFJASJIVZJTBRY-DEOSSOPVSA-N 462.509 4.588 50 10 JJGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865707819 HAKWYCOIOSBINT-QFIPXVFZSA-N 464.953 4.773 50 10 JJGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865715024 TXLACHKTLUTWPT-HSZRJFAPSA-N 495.495 4.688 50 10 JJGE CCc1ccc(-c2ccc(C(=O)NNC(=O)COc3ccc(OC)cc3C(C)(C)C)c(C)n2)cc1 1865758737 OQGRAEIGIQYKST-UHFFFAOYSA-N 475.589 4.766 50 10 JJGE COc1cccc(-c2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)no2)c1 1867146299 DZDOBYKEKQVQTA-HSZRJFAPSA-N 498.564 4.903 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@@]2(CCC[C@H]2Br)C1 1918960542 FONCQRROWWJENG-DOMZBBRYSA-N 466.011 4.991 50 10 JJGE Fc1ccc(CO[C@H](CCl)[C@@H](I)CCl)c(Br)c1 2025679446 VTLIOWDBKFXKOG-WDEREUQCSA-N 455.920 4.755 50 10 JJGE CC[C@H](C)[C@H](CI)NC(=O)c1cc(Br)cc(Br)c1 2081236880 SYIMHSBBEPPGMU-UFBFGSQYSA-N 488.989 4.791 50 10 JJGE CC(C)(C)[C@H](CBr)CNC(=O)c1cc(Cl)ccc1I 2090199296 OEPDRVXEXOIFBG-SECBINFHSA-N 458.565 4.732 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CCC[C@H](CCBr)C1 2092340535 RCNWMMTWYZOOJW-SNVBAGLBSA-N 454.000 4.849 50 10 JJGE O=C(NC[C@]12CCC[C@@]1(CBr)C2)c1ccc(I)c(Cl)c1 2208039164 JGFABWCODKSDCB-LSDHHAIUSA-N 468.560 4.630 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)Cc1ccc(Br)cc1Cl 2209367517 ODLSRJORPKPHCO-LBPRGKRZSA-N 457.549 4.705 50 10 JJGE COc1cc(OC)c([C@@H](Br)c2cc(I)sn2)cc1Cl 2264477286 XMIDEYGRUFNRLQ-GFCCVEGCSA-N 474.545 4.903 50 10 JJGE O=C(c1scc(Br)c1Cl)N1C[C@@H](CBr)[C@@H](C(F)(F)F)C1 2279183643 MQCLFQCJXJAIMM-RITPCOANSA-N 455.521 4.809 50 10 JJGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccccc3)c(Oc3ccc(Cl)cc3)nc12 2296719339 FHUSGEPSRGPTIY-UHFFFAOYSA-N 477.929 4.787 50 10 JJGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCCc2ccccc2)c(C)c1 2296723192 XAERJMQYKFSBSF-UHFFFAOYSA-N 478.552 4.678 50 10 JJGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593238 JYSJFUHOHWPNPH-HSZRJFAPSA-N 475.545 4.724 50 10 JJGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1ccc(OCc2ccc(F)cc2)cc1 2314618531 PCHRXYHTUPZBJE-UHFFFAOYSA-N 462.521 4.812 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(CC)cc2)c(OC)c1 2314785806 OQJNXOIDHMWCER-UHFFFAOYSA-N 464.562 4.845 50 10 JJGE CCn1nc(Br)c(C[C@H](CBr)c2cccc(Br)c2)n1 2351801092 LSGKPVONVNCJBT-SNVBAGLBSA-N 451.988 4.544 50 10 JJGE O=C(CSc1nc(=O)c2c(-c3ccc4c(c3)CCCC4)csc2[nH]1)N/N=C/c1ccccc1 2614488 IJIDNESVDVYWCH-LGJNPRDNSA-N 474.611 4.773 50 10 JJGE C[C@@H](C(=O)Oc1cccc(/C=C(/C#N)c2cccc(Cl)c2)c1)N1C(=O)c2ccccc2C1=O 31902506 UQDTWILFDPPQQR-JJBLJPBOSA-N 456.885 4.994 50 10 JJGE N#CC1=C(N)OC2=C([C@H]1c1ccccc1)S(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccccc12 33267913 NSHKYTWQMKMHTN-QFIPXVFZSA-N 475.957 4.866 50 10 JJGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)c1 38684528 YEBIXIMIHGRFLL-MHZLTWQESA-N 468.509 4.762 50 10 JJGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2cc(Br)ccc2OC)c(OC)c1 40948845 KLSNVFWVMOSGMB-PDDUZAPNSA-N 499.361 4.518 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)cc1 58894659 YWFBVAMXQQJBEQ-WMPMWDHYSA-N 470.909 4.661 50 10 JJGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 100272674 GYTUNNLBJNPOCI-HXUWFJFHSA-N 485.650 4.756 50 10 JJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3c(Cl)cccc3Cl)C2=O)cc1 101233126 WMRWABHKRSUUOA-QGOAFFKASA-N 456.329 4.749 50 10 JJGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3)nc3c(C)cccn3c2=O)cc1 102846235 KHPVRLFGSLNMDT-MNDPQUGUSA-N 466.497 4.740 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CCCCC[C@H]1CBr 161247722 NCZZFEUWNPRALA-NSHDSACASA-N 454.000 4.991 50 10 JJGE O=C(N[C@@H](CCl)c1ccccc1)c1cc(I)ccc1Br 236035424 GNADOVSTRVOHKM-AWEZNQCLSA-N 464.528 4.764 50 10 JJGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3OC)nnc2-c2ccc(C)cc2)cc1 252596502 CJDZUTRBVAQWBJ-UHFFFAOYSA-N 487.585 4.502 50 10 JJGE CCOc1ccc(Br)cc1[C@@H](Br)c1cnn(C)c1I 381957030 YBUSGPGAVVWXNX-GFCCVEGCSA-N 499.972 4.670 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CCSC[C@@H]1CCBr 689217139 GAKTXTGPCWMODA-ZETCQYMHSA-N 478.069 4.616 50 10 JJGE O=C(N[C@@H](CCBr)C1CCCCC1)c1csc(I)c1 725058773 HKZCODJUAHROTD-LBPRGKRZSA-N 456.187 4.816 50 10 JJGE O=C(NNC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F)c1ccc(Cl)cc1 730955151 DCYWMLWAPXDEMG-UHFFFAOYSA-N 494.207 4.605 50 10 JJGE CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1cc(Br)c(I)o1 1084106768 JKCBLVLCGVTXLS-XCVCLJGOSA-N 493.102 4.655 50 10 JJGE C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NNc1c(Cl)cc(Br)cc1Cl 1465464707 ZBYAXWFYDHOBET-JTQLQIEISA-N 455.139 4.714 50 10 JJGE C=CCOc1cccc(NC(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1 1562255800 QSMDPXRWSMWGBZ-UHFFFAOYSA-N 451.910 4.950 50 10 JJGE CC(C)(C)[Si](C)(C)Oc1ccc(N2CCN(c3ccc(-n4cnnc4O)cc3)CC2)cc1 1848439712 GZAQAQJMKGSBLD-UHFFFAOYSA-N 451.647 4.684 50 10 JJGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)c1 1865689550 BXWAQYRNOSGIHV-GOSISDBHSA-N 458.415 4.706 50 10 JJGE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865692916 JTRBJDXPJUTDMU-VWLOTQADSA-N 463.541 4.935 50 10 JJGE CCOC(=O)c1c(NC(=O)CI)sc(C)c1-c1ccc(Cl)cc1 1865947439 DEASDEMJCUDZEJ-UHFFFAOYSA-N 463.724 4.927 50 10 JJGE COC[C@](C)(COc1c(Br)cc(CBr)cc1Br)OC 1895831687 YVXZTQMGXJFLAN-CYBMUJFWSA-N 460.988 4.537 50 10 JJGE Cc1c(Br)cccc1C(=O)N(C)C[C@@H](Br)COCc1ccccc1 1916384558 CFNLJOCHYGHIQX-MRXNPFEDSA-N 455.190 4.810 50 10 JJGE O=C(N[C@H]1CCC[C@@H](CBr)C1)c1csc(Br)c1Br 2032953061 BRKALASDCDWFCQ-SFYZADRCSA-N 460.029 4.957 50 10 JJGE C[C@@]12CN(C(=O)c3scc(Br)c3Br)C[C@]1(CBr)C2 2046807448 QBDOUGGQFCMKEJ-VXGBXAGGSA-N 458.013 4.520 50 10 JJGE O=C(c1cc(Br)ccc1I)N1C[C@@H](Br)CC12CCC2 2099393537 XYCQORNGUBMUEQ-JTQLQIEISA-N 498.984 4.586 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CCC[C@](F)(CBr)C1 2101310783 OUZBGLSBBDJPQF-ZDUSSCGKSA-N 457.963 4.551 50 10 JJGE CC[C@@H]1[C@@H](CCl)CCN1C(=O)c1ccc(Br)cc1I 2142284990 KCDBTHJYFWZSBI-NOZJJQNGSA-N 456.549 4.533 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H](Br)C2(CCCC2)C1 2174367703 DEZLYIXDMMZKKW-ZDUSSCGKSA-N 468.560 4.724 50 10 JJGE Cc1c(Br)cccc1CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1I 2243597772 ZXOBFEGEFJCKSS-LSDHHAIUSA-N 496.183 4.697 50 10 JJGE COc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)C(=O)Nc1cc(C)ccc1C 2314533533 RNKUACAGHSZEEH-UHFFFAOYSA-N 466.497 4.658 50 10 JJGE COc1cc(C=NNC(=O)Cc2ccc(Cl)cc2)cc([N+](=O)[O-])c1OCc1ccccc1 2323348096 UMSQVWZEZPKTSP-UHFFFAOYSA-N 453.882 4.529 50 10 JJGE CC(C)[C@H]1C[C@@H](Br)CN1C(=O)c1cc(Br)cc(Br)c1 2344772051 VNFGYZHQLUUTEF-CHWSQXEVSA-N 454.000 4.846 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@H]2C[C@@H](Br)CC[C@H]21 2353891958 QGKWYVJYMODHIT-PKFCDNJMSA-N 466.011 4.990 50 10 JJGE CN(Cc1c(Br)c(Br)nn1C)CC1(CBr)CCCCC1 2364342726 SKJUCDBIVOJJKQ-UHFFFAOYSA-N 472.063 4.722 50 10 JJGE N#C/C(=C/c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 778279 JTVVYJCILMAQAJ-JCMHNJIXSA-N 483.549 4.612 50 10 JJGE COc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccccc3Cl)o2)c(Br)c1 15018414 ZAOVHGRMWKCWNV-FOKLQQMPSA-N 463.715 4.900 50 10 JJGE N#C/C(=C\c1ccccc1OCC(=O)Nc1nccs1)C(=O)Nc1sc2c(c1C#N)CCCC2 35519767 LCDUMZGVGZJXOG-LFIBNONCSA-N 489.582 4.518 50 10 JJGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3ccc(OC)cc3)ccc21 38681863 VPYAOLNSUHPUNY-HHHXNRCGSA-N 470.525 4.850 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc([N+](=O)[O-])ccc1Cl 40926249 OIXGUEFOXRODOB-MHWRWJLKSA-N 495.875 4.682 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)c1cc2cc(Br)ccc2o1 41007499 ZDFFWJWUVKIZAG-LZYBPNLTSA-N 483.318 4.855 50 10 JJGE CCCN(CCC)c1ccc(C(=O)N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)cc1 59152271 PZHWXFQVLZDNFR-PBBVDAKRSA-N 454.574 4.994 50 10 JJGE CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1OC 59483565 NHATZUYBRNOUDP-JYRVWZFOSA-N 482.705 4.898 50 10 JJGE CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1 206688877 VEYMNSMCYYCSGK-BROCWHMHSA-N 456.498 4.911 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1cccc(C)c1 206739720 KBBGQNCAMSCEKO-JWGURIENSA-N 488.540 4.975 50 10 JJGE CCCCCCCOc1ccc(/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 214430213 NSHXHTAJUPWPHX-QJOMJCCJSA-N 496.604 4.980 50 10 JJGE COc1ccc(OCC(=O)NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 254764148 PXNPXNNUCCGMBB-UHFFFAOYSA-N 454.482 4.597 50 10 JJGE CCCOc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc([N+](=O)[O-])cc2)cc1 263627626 VGDFDTDNLAYNBN-GMYZUSBHSA-N 486.528 4.695 50 10 JJGE Fc1cc2c(cc1I)nc(CCl)n2Cc1cnn(Cc2ccccc2)c1 390374971 PHGLGPNNCLEONM-UHFFFAOYSA-N 480.712 4.812 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@H]2CC[C@@H](Br)[C@H]1C2 721567193 RNLFNDYVHRELFX-OWYVNGRQSA-N 466.011 4.990 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@H](CCCl)C1 721625797 ZWXQQFIKHUIZCJ-SNVBAGLBSA-N 456.549 4.535 50 10 JJGE C[C@@]1(CBr)CCCCN1C(=O)c1cc(Cl)ccc1I 723011802 HOLYBMMQKVRNMG-AWEZNQCLSA-N 456.549 4.724 50 10 JJGE C[C@@H](SCc1ccccc1)C(=O)NN=C1C(=O)N(C/C=C/c2ccccc2)c2ccccc21 1084218660 SUCVEKIDCWIGKB-HRXVAUAOSA-N 455.583 4.889 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)c1O 1865684530 RLNPARMOURBLKD-LJQANCHMSA-N 478.430 4.977 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1 1865692589 DBBURTPGYUPHGB-SFHVURJKSA-N 458.415 4.706 50 10 JJGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)ccc1O 1865695364 BYBGBGJFYPUDEL-IBGZPJMESA-N 481.350 4.655 50 10 JJGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865701519 XHTGJNMCGKYQFX-OAQYLSRUSA-N 464.953 4.773 50 10 JJGE CC(C)(C)OC(=O)N[C@@H](CBr)[C@H]1CCCN(C(=O)OC(C)(C)C)CCC1(F)F 1893341703 HOWGLPFTDAQVNB-KGLIPLIRSA-N 471.383 4.947 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H](CBr)C2(CCC2)C1 1914493386 QNRVQYULRWSXEI-LLVKDONJSA-N 466.011 4.849 50 10 JJGE COc1c(Br)cc(Br)cc1C[C@@H](CCl)NC(=O)OC(C)(C)C 1975053651 NBOCPYPUCNOSRW-NSHDSACASA-N 457.590 4.895 50 10 JJGE CC(F)(F)C[C@H](CBr)NC(=O)c1cc(Br)c(Br)s1 2050370196 VICDKDDRCNHQTP-RXMQYKEDSA-N 469.971 4.812 50 10 JJGE ClCCN(Cc1cccs1)c1ncc(I)cc1Br 2069527449 BNUXCPAUMQFYOG-UHFFFAOYSA-N 457.562 4.756 50 10 JJGE CN(c1ncc(I)cc1Br)[C@H]1CCCCC[C@@H]1Br 2069528677 LBACBYKTWTUGCW-JQWIXIFHSA-N 488.005 4.981 50 10 JJGE BrC[C@H]1CCC2(CC2)CN1c1ncc(I)cc1Br 2069534682 YOGMNTHEZJLADS-SNVBAGLBSA-N 485.989 4.593 50 10 JJGE O=[N+]([O-])c1c(CBr)nn(Cc2cc(F)cc(C(F)(F)F)c2)c1C(F)(F)F 2079257941 DVAZDOYCOOOXBG-UHFFFAOYSA-N 450.108 4.911 50 10 JJGE ClCCc1nc2cc(I)ccc2n1Cc1nccn1Cc1ccccc1 2090021994 RIELBUNWTLVUQT-UHFFFAOYSA-N 476.749 4.715 50 10 JJGE CCn1ncc(Br)c1COc1ccc(Br)c(CBr)c1 2094301400 MTUZUESDYATXOX-UHFFFAOYSA-N 452.972 4.902 50 10 JJGE CC1CC(CBr)(N(C)C(=O)c2cc(Cl)ccc2I)C1 2108307437 XNQVFJYAOPLMPZ-UHFFFAOYSA-N 456.549 4.580 50 10 JJGE ClC[C@H]1CC2(CCCC2)CN1c1ncc(I)cc1Br 2133382235 SGWGMKCHGCTPIT-LLVKDONJSA-N 455.565 4.827 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H]2CCC[C@]2(CBr)C1 2159411255 XPAPPGYHOWBELA-NHYWBVRUSA-N 466.011 4.849 50 10 JJGE O=C(NC[C@H]1CCCC[C@@H](Br)C1)c1ccc(F)cc1I 2163746727 VHQKUPSNSGHXDY-WDEREUQCSA-N 454.121 4.504 50 10 JJGE Cc1cc(S(=O)(=O)N(C)[C@@H]2CN(Cc3ccccc3)C(C)(C)C2)sc1CBr 2179824423 UZGKCHXLSCZIFK-KRWDZBQOSA-N 471.486 4.625 50 10 JJGE Brc1cccc([C@H](CI)O[C@@H]2CCN3CCC[C@@H]3C2)c1 2199478169 YYKXSXUJVXDCIT-OAGGEKHMSA-N 450.158 4.569 50 10 JJGE CC(C)([C@H](Br)c1cc(Br)c(Br)cc1F)S(C)(=O)=O 2218597632 OERGZRKFFRFICJ-SNVBAGLBSA-N 466.992 4.610 50 10 JJGE COc1ccc([C@H](Br)[C@H]2OCC[C@@H]2C(F)(F)F)cc1I 2285010638 OURDURSJHKEHIU-UWJYBYFXSA-N 465.047 4.703 50 10 JJGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)cc1 2296543417 AAIWZQJHTHFAMG-UHFFFAOYSA-N 480.524 4.966 50 10 JJGE C[C@@H]([C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)S(C)(=O)=O 2315450212 ZSJTXLOSZNXWKG-RNHFCUEFSA-N 487.410 4.873 50 10 JJGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)c(OC)c3)n2)c1 2331324540 NDQQBCHLOVTIKC-UHFFFAOYSA-N 454.504 4.803 50 10 JJGE O=S1(=O)CC[C@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337092595 SLZPURDSUXKNOX-SSDLBLMSSA-N 499.421 4.875 50 10 JJGE CC(C)(C)N1C[C@@H](Br)[C@@H](Cc2ccc(Cl)c(I)c2)C1 2337219666 VLDQGORYOPVMRS-NWDGAFQWSA-N 456.593 4.981 50 10 JJGE O=C(NC1CCC(CBr)CC1)c1ccc(Cl)cc1I 2340056320 WQVZVOOOBVBGBF-UHFFFAOYSA-N 456.549 4.628 50 10 JJGE ClCc1nc2cc(Br)cnc2n1CCC12CC(I)(C1)C2 2381618375 DDEKDGCAIVDXNG-UHFFFAOYSA-N 466.548 4.680 50 10 JJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 12487904 IHGLZCAPLYTXQU-AWEZNQCLSA-N 478.376 4.741 50 10 JJGE CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NNC(=O)C(c1ccccc1)c1ccccc1 13685397 OBHXQOGOIVFRFZ-HAVVHWLPSA-N 481.581 4.746 50 10 JJGE CC/C(=N\NC(=O)COc1c(C)cc(Br)cc1Br)c1ccccc1 34967580 VCHZDIUUGSZBKG-LTGZKZEYSA-N 454.162 4.829 50 10 JJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1 38683535 BDPNBWGMHFSPKH-SANMLTNESA-N 498.535 4.945 50 10 JJGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cc(Cl)ccc4OC)c(C)c32)cc1 40813795 GRHVIETURFMUHJ-MTDXEUNCSA-N 481.936 4.981 50 10 JJGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2cc(C)c(Cl)c(C)c2)c(OC)c1 103746552 KCWPNFBLZQDPLU-ZHZULCJRSA-N 482.964 4.939 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CCCCC[C@@H]1CBr 232458423 HUEGNPDFCKNOCR-CYBMUJFWSA-N 454.000 4.991 50 10 JJGE CCOc1cccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)c1O 254556577 UNIMLAGMLBWBLB-UHFFFAOYSA-N 487.585 4.589 50 10 JJGE CCCCOc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 254739233 YEXFCPGPXIFIKW-UHFFFAOYSA-N 490.556 4.931 50 10 JJGE CC1(CBr)CCN(C(=O)c2cc(Br)ccc2Br)CC1 401548988 RFAAPAQYVKDSSU-UHFFFAOYSA-N 454.000 4.849 50 10 JJGE Cc1cccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1[N+](=O)[O-] 725422623 HMGKBAAVAFUADE-SJLPKXTDSA-N 480.302 4.690 50 10 JJGE Cc1ccc(NC(=O)COC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1F 782086286 CPMLROVUNMXJDO-WOJGMQOQSA-N 491.910 4.654 50 10 JJGE Cc1ccc(N(CC(=O)NN=Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)c(C)c1 1084013345 NSQXUIZOTXYHHQ-UHFFFAOYSA-N 490.412 4.956 50 10 JJGE C#C[C@@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(Cl)c2Cl)c1C)C1CCOCC1 1461708035 AVPUPMNKWBJUBG-CNSVBDKNSA-N 456.373 4.853 50 10 JJGE C=CCn1c(SCC(=O)NNc2ccc(Cl)cc2F)nnc1-c1ccc(Cl)cc1 1636625625 WLMLSXCPCMXRJR-UHFFFAOYSA-N 452.342 4.812 50 10 JJGE C=C(C)COc1cccc(NC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c1 1674221799 XOXRLMLXPIOLDB-UHFFFAOYSA-N 452.338 4.960 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc([N+](=O)[O-])c2)CCC3)cc1C 1772746487 WGXKXIHTICJXDC-UHFFFAOYSA-N 460.490 4.836 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc(Br)c(C)c2)ccc1OCCc1ccccc1 1772753716 DXEWPAFQNYWZGF-UHFFFAOYSA-N 497.389 4.917 50 10 JJGE COc1cc(Cl)c(C)cc1NC(=O)COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1 1858684322 IPLJTNIZBDLQDP-UHFFFAOYSA-N 486.868 4.589 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC)ccc1OCc1ccccc1C 1865705401 UVCKVUTXSMHNJX-XMMPIXPASA-N 458.562 4.970 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)c(OC)c1 1865707629 BREMKZYDSDUHLR-QHCPKHFHSA-N 450.498 4.775 50 10 JJGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cscc1Br 1915081457 GQGKZNQFKXJAAX-ZDUSSCGKSA-N 467.248 4.875 50 10 JJGE Brc1sc(Br)c([C@@H](Br)[C@H]2COCCO2)c1Br 1924579486 GHHRLGSVLWUIEJ-XINAWCOVSA-N 499.844 4.887 50 10 JJGE CCCCN(CCBr)C(=O)c1ccc(Br)cc1I 2086146645 CLJBOTOOQYHJDR-UHFFFAOYSA-N 488.989 4.691 50 10 JJGE Brc1cnc(N2CC[C@@H]3CC[C@H](Br)C[C@H]3C2)c(Br)c1 2139254596 OREIQULLGIZPHK-DCAQKATOSA-N 453.016 4.997 50 10 JJGE CC(C)(C)OC(=O)N1CCC([S@@](C)(=O)=NC[C@H](CBr)c2ccccc2)CC1 2163064874 WRFYRDQOUPHMOQ-CBZJRKILSA-N 459.450 4.662 50 10 JJGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2COC(C)(C)C2)cc1CBr 2179787845 UQLUBBHHZWRKMK-LJQANCHMSA-N 452.414 4.648 50 10 JJGE CN(Cc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(CBr)c2)C1 2179793535 VPYILOHIQUMQLE-SFHVURJKSA-N 471.848 4.520 50 10 JJGE C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(CBr)c(Cl)c2)CN1Cc1ccccc1 2179858719 SGIKWWPRFIEWFU-MAUKXSAKSA-N 471.848 4.518 50 10 JJGE CO[C@@H]1CC(Oc2c(Br)cc(CBr)cc2Br)C[C@H]1OC 2187178252 SFXQYYGOHHSIPD-CHWSQXEVSA-N 472.999 4.678 50 10 JJGE Cc1csc(CBr)c1S(=O)(=O)N1CCCN(Cc2ccccc2)C(C)(C)C1 2193727171 UUESHGJSBYWSPH-UHFFFAOYSA-N 471.486 4.627 50 10 JJGE O=S(=O)(Cc1ccccc1Br)N(CCCBr)Cc1ccccc1 2210633124 SKKWIPCFNTZTFQ-UHFFFAOYSA-N 461.219 4.566 50 10 JJGE O=S1(=O)CC([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2217617841 KCXKQBHIHHSKGQ-MRVPVSSYSA-N 457.398 4.890 50 10 JJGE Cn1nc(Br)c([C@H](Br)c2cc(C3CC3)c(Br)s2)n1 2219796974 WEJGQXOGABVOIJ-MRVPVSSYSA-N 456.001 4.763 50 10 JJGE Cc1c(Br)cnc2c1nc(CCl)n2C[C@@H]1CC1(Br)Br 2224800248 FZAJRPHSQGEQMF-ZETCQYMHSA-N 472.406 4.747 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H](Br)CC12CCCC2 2283664447 QUKXKIZRQBZZLN-NSHDSACASA-N 468.560 4.867 50 10 JJGE Cc1c(F)ccc(CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)c1Cl 2301346662 SZQSQFVHMIETRG-UONOGXRCSA-N 469.722 4.727 50 10 JJGE CCCCOc1ccc(CCC(=O)Oc2ccc(C=C(C#N)C(=O)OC)cc2OC)cc1OCC 2314808007 QCIUDLPVYLEDOC-UHFFFAOYSA-N 481.545 4.891 50 10 JJGE COc1ccc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)c(Br)c1O 2323166744 UICFPOGTCXRDBB-LBPRGKRZSA-N 456.340 4.533 50 10 JJGE C[C@@]1(CBr)C=CCCN1Cc1ccc(I)c(Br)c1 2325210886 CUFZSABZMPYJQY-AWEZNQCLSA-N 485.001 4.969 50 10 JJGE C[C@@H]1CCN(Cc2ccc(I)c(Br)c2)C[C@@H]1CBr 2325212834 HKGHWLFNJBJBGD-PWSUYJOCSA-N 487.017 4.907 50 10 JJGE N#CC(=Cc1cccc(Br)c1)C(=O)NC[C@@H](c1ccccc1)S(=O)(=O)c1ccccc1 2329694686 ROKNKHBVHWCBFP-QHCPKHFHSA-N 495.398 4.687 50 10 JJGE O=S1(=O)CC[C@@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337092594 SLZPURDSUXKNOX-MLUIRONXSA-N 499.421 4.875 50 10 JJGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362233749 AOIGRBSZPWHMCH-HSJIAEGWSA-N 466.981 4.575 50 10 JJGE Cc1cc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2)c(C(C)C)cc1Br 12490269 KTEYRWMOIDGVHF-UHFFFAOYSA-N 485.378 4.639 50 10 JJGE Cc1cccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 12490952 XUHBHBLCQLBQKI-UHFFFAOYSA-N 492.167 4.513 50 10 JJGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc2ccccc2c1 14649766 RZZOASNSXBYXJI-UHFFFAOYSA-N 471.351 4.621 50 10 JJGE C=CCOc1ccccc1C(=O)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 14766871 GIVBIBBFJZNTJU-UHFFFAOYSA-N 495.373 4.710 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1 38685842 RCBXLKNHGPJWNO-CPJLOUKISA-N 474.488 4.815 50 10 JJGE Cc1c(C(=O)N2CCCCCC2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823247 DDKOUZPTJKXFGK-KVSWJAHQSA-N 485.400 4.594 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3cccc(F)c3)cc2)cc1 58893306 WZDHWDFXIGCTIL-YNAQZEJMSA-N 450.510 4.767 50 10 JJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(Br)o2)sc2c1CC[C@@H](C)C2 102956297 OQTXCCDZQXOSFT-ZGSOTFDTSA-N 463.353 4.951 50 10 JJGE Cc1nn(C)c(COc2ccc(Br)c(CBr)c2)c1Br 129034356 YBJLCDGQGYPQRY-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE O=S(=O)(N[C@H]1CCCC[C@H]1Br)c1c(Cl)cc(Br)cc1Cl 136952007 SBVCDEYAHPAHEW-KCJUWKMLSA-N 466.022 4.740 50 10 JJGE CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C3C)o2)cc1 214307952 SRKNVUUFVWTYFH-JCMHNJIXSA-N 476.529 4.531 50 10 JJGE O=c1[nH]c2ccc([C@H](Br)c3cc(Br)cc(Br)c3)cc2[nH]1 232484850 PKPLFTHGGUZLSA-ZDUSSCGKSA-N 460.951 4.866 50 10 JJGE CC(C)c1ccc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1 254395939 GIJSSXNKDZFSHN-JSWPNRLGSA-N 454.574 4.797 50 10 JJGE CC[C@@H]1[C@H](CBr)CCN1C(=O)c1cc(Cl)ccc1I 386213779 DRBNHSDKIGZCGG-TVQRCGJNSA-N 456.549 4.580 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@H]1CC(CCl)C2 721601830 HVBCCLAUMANJGY-RYUDHWBXSA-N 468.560 4.676 50 10 JJGE Cc1nc2ccccn2c1C(=O)NN=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21 1084430761 BCDPIHDBCIZSCZ-UHFFFAOYSA-N 478.339 4.630 50 10 JJGE C#Cc1cccc(NC(=S)NNC(=O)[C@H](Cc2cccc(Br)c2)CC(C)C)c1 1455415285 CJZKIKXYOPBMAY-SFHVURJKSA-N 458.425 4.653 50 10 JJGE CCOc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745201 TWUIMWSOTHNHMT-UHFFFAOYSA-N 476.489 4.618 50 10 JJGE O=C(Cc1ccc(Br)cc1)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 1860823156 VIEXLQNRFYQSDQ-QYQHSDTDSA-N 482.765 4.712 50 10 JJGE CCc1sc(NC(=O)CBr)c(C(=O)OC)c1-c1ccc(Br)cc1 1866000434 NEEXNULAUWZVHO-UHFFFAOYSA-N 461.175 4.860 50 10 JJGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2cc(C3CC3)on2)cc1 1867152606 OQVFIHHUGXXTOQ-OAQYLSRUSA-N 478.599 4.796 50 10 JJGE COc1ccc([C@H]2C[C@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(C)n2)cc1OC 1868480620 QOZDOFXQPGMNKU-TZIWHRDSSA-N 477.590 4.821 50 10 JJGE COc1ccccc1-c1csc(/C(C#N)=C(\O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n1 1872747150 PMXOPEZJQNSBRB-ZZEZOPTASA-N 490.497 4.596 50 10 JJGE CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 2042446442 WUWNOAVQXDHNQB-UHFFFAOYSA-N 471.513 4.859 50 10 JJGE O=C(CBr)c1ccc(C(F)(F)F)c(I)c1Br 2054877301 CXOUGLZUDQRONG-UHFFFAOYSA-N 471.836 4.650 50 10 JJGE CC[C@H](C)[C@@H](CBr)NC(=O)c1cc(I)ccc1Br 2081241933 JFCLACMXWGDMMQ-QPUJVOFHSA-N 488.989 4.593 50 10 JJGE O=C(N[C@H]1CC[C@@H](CCl)CC1)c1cc(I)ccc1Br 2118507789 SKTHHCOPCIFVFY-JGZJWPJOSA-N 456.549 4.581 50 10 JJGE CCn1cc(Br)c([C@@H](Br)c2cc(Br)ccc2OC)n1 2124771627 ZZFACKCHALCVSP-LBPRGKRZSA-N 452.972 4.921 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC2(CCC2)C[C@@H]1CBr 2151516995 XYAFYIDCUFGLJE-CYBMUJFWSA-N 466.011 4.991 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@H](CBr)C12CCC2 2190354113 MYJPMDJCQQBYPX-SNVBAGLBSA-N 466.011 4.991 50 10 JJGE CC[C@H](Br)[C@@H]1CCCCN1C(=O)c1cc(C)ccc1I 2240922679 FDJWSKUSOSATDM-ZFWWWQNUSA-N 450.158 4.768 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OCCOc1c(C)cccc1C 2293188492 KRWMDOBZIGIFNM-UHFFFAOYSA-N 460.530 4.976 50 10 JJGE COc1ccccc1NC(=O)C(C#N)=Cc1cccc(OC)c1OCc1ccc([N+](=O)[O-])cc1 2293838594 KUFVTVBCRVSIHN-UHFFFAOYSA-N 459.458 4.737 50 10 JJGE Clc1cc(I)c([C@H](Br)[C@@H]2CCn3nccc3C2)s1 2316604583 BISIEGVNYMSPRL-RDDDGLTNSA-N 457.562 4.901 50 10 JJGE COc1ccccc1-c1ccc(C(=O)NNC(=O)C=Cc2ccc(Cl)cc2Cl)c(C)n1 2321183982 OXBRKJMLHNTRNB-UHFFFAOYSA-N 456.329 4.847 50 10 JJGE C[C@@H]1[C@H](Br)CCN(C(=O)Cc2cc(Br)cc(Br)c2)[C@@H]1C 2370659806 SETDQJNHGKPXMP-IMSIIYSGSA-N 468.027 4.775 50 10 JJGE O=C(CCCOc1ccc(Cl)cc1Cl)NC(=S)NNC(=O)c1ccc(Cl)cc1Cl 12570214 FESDIHZSJPKDBZ-UHFFFAOYSA-N 495.215 4.795 50 10 JJGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1Cl 14032987 JTBFIAFTLGBBEC-UHFFFAOYSA-N 468.406 4.902 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)ccc1OCC(C)C 38684178 UCWJKUFGQRFNJT-DEOSSOPVSA-N 460.486 4.760 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OC 59483985 VCPMYFZJMHCOEP-MDWZMJQESA-N 482.705 4.898 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc1C 102859505 SPHITAWDFJQIOG-YVVITCHPSA-N 470.573 4.839 50 10 JJGE ClCc1nc2cc(I)ccc2n1[C@@H]1CCN(Cc2ccccc2)C1 310350643 GRLSDFQGFGVWQP-MRXNPFEDSA-N 451.739 4.827 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccc(Br)c(O)c2)C1 383466320 IYUTVJJKRKPNKM-VXGBXAGGSA-N 482.156 4.540 50 10 JJGE CC(C)(CCl)CCCNC(=O)c1cc(Br)ccc1I 393384979 MMAZJDCHEOYVGG-UHFFFAOYSA-N 458.565 4.829 50 10 JJGE C[C@H](Cl)[C@H]1CCCN(C(=O)c2cc(I)ccc2Br)C1 689044761 VHLWDZYNUNNYKA-UWVGGRQHSA-N 456.549 4.533 50 10 JJGE O=C(NN=Cc1cccc(OCc2c(Cl)cccc2Cl)c1)C(=O)Nc1ccccc1F 1084175716 JYMVLQAPTLXMKT-UHFFFAOYSA-N 460.292 4.800 50 10 JJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(C)cc1 1084586326 WWOVEDBGXNBNRU-KRWDZBQOSA-N 469.014 4.669 50 10 JJGE Cc1ccnc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)c1 1772748428 DBBHVMXDBORAGV-UHFFFAOYSA-N 494.367 4.533 50 10 JJGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2c[nH]c3ccccc23)cc1 1865700083 KSMFCYIXSVFCGK-SFHVURJKSA-N 451.408 4.599 50 10 JJGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707251 RUGPEQUPDBNPKH-HXUWFJFHSA-N 468.916 4.609 50 10 JJGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)c1ccc(Br)o1 1865759759 QOFUNXOHQNYMGB-UHFFFAOYSA-N 469.122 4.794 50 10 JJGE COc1cccc([C@@H](C)CC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)c1 1867107579 PJSHMTLIRKSOAX-AVRWGWEMSA-N 489.597 4.834 50 10 JJGE Cc1csc(CBr)c1S(=O)(=O)N1CC[C@]1(C)CCOCc1ccccc1 1892699892 FTTKMPOTPILKDE-LJQANCHMSA-N 458.443 4.711 50 10 JJGE COC[C@@](C)(COc1c(Br)cc(CBr)cc1Br)OC 1895831688 YVXZTQMGXJFLAN-ZDUSSCGKSA-N 460.988 4.537 50 10 JJGE CC1(C)CN(C(=O)c2cc(Br)ccc2Br)C[C@H]1CBr 1914530519 CGEWELOJHANGDW-SECBINFHSA-N 454.000 4.705 50 10 JJGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1cc(Cl)sc1Cl 1916361730 NXGSSZPHTAVLAY-LBPRGKRZSA-N 473.241 4.656 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 1991353673 SMOAYRMIQBAGAV-CVEARBPZSA-N 463.710 4.516 50 10 JJGE Cc1ccc(-c2nc(C(C#N)=Cc3ccc(OCC(N)=O)cc3)sc2NC(=O)c2ccco2)cc1 2038162733 AJEJIWLNOUFBSN-UHFFFAOYSA-N 484.537 4.892 50 10 JJGE O=C(N[C@H]1C[C@@H]([C@@H](F)CBr)C1)c1cc(Br)sc1Br 2078365449 YSUSTZYTORONSU-BBVRLYRLSA-N 463.992 4.515 50 10 JJGE CC[C@@H](C)[C@H](CI)NC(=O)c1ccc(Br)cc1Br 2081237514 YJSZZSHLZWQRGH-PELKAZGASA-N 488.989 4.791 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@@H](Br)C2(CC2)C1 2093182198 FKSOXUFAOGEIOT-LLVKDONJSA-N 451.984 4.601 50 10 JJGE O=C(N[C@H]1CCCC[C@H]1CBr)c1c(Br)cccc1Br 2094087708 CDGLVBVAKKXPIC-CABZTGNLSA-N 454.000 4.895 50 10 JJGE CN(Cc1nn(C)cc1Br)c1cc(Br)cc(F)c1CBr 2170696009 XJSQMBAGQUHNHH-UHFFFAOYSA-N 469.978 4.616 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1Cc2ccccc2N(CCCCCI)C1 2220216250 RJAQINQALKMTAF-MRXNPFEDSA-N 458.384 4.795 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1[C@H]2CC[C@H](Br)[C@H]1CC2 2229866862 ZCTWNDZRXIKPIU-TVYUQYBPSA-N 451.984 4.742 50 10 JJGE CC(C)(C)OC(=O)N[C@@H](C[S@@](C)(=O)=NCC1(CBr)CC(F)C1)C(C)(C)C 2265631410 DDHLYKOZZQBHNE-MNNWRJTOSA-N 457.450 4.537 50 10 JJGE CC1(C)[C@H](Br)CC[C@H]1NC(=O)c1ccc(Cl)c(I)c1 2268347247 TWDOFENCDNAJMV-VXGBXAGGSA-N 456.549 4.627 50 10 JJGE C[C@@H]1C[C@H]1N(CCBr)Cc1ccc(I)c(Br)c1 2306227205 KEOGDLHMXFDUGO-NOZJJQNGSA-N 472.990 4.659 50 10 JJGE C[C@@H]1C[C@H](CBr)CN1Cc1ccc(I)c(Br)c1 2306228533 SCPWYGJGUNNJCS-MWLCHTKSSA-N 472.990 4.659 50 10 JJGE C=CC[C@@H](Br)[C@@H]1CCN1C(=O)c1cc(Br)sc1Br 2314228264 AFQSPUJEEDSNHG-BDAKNGLRSA-N 458.013 4.827 50 10 JJGE CC[C@H](NC(=O)C(C#N)=CNC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc2c(c1)CCCC2 2325092784 LUOOPKPMCBGESS-DEOSSOPVSA-N 466.626 4.529 50 10 JJGE CC(C)[C@H]1C[C@H](Br)CN1C(=O)c1ccc(Br)cc1Br 2344615742 VJJZJWHPFIIGKI-GXFFZTMASA-N 454.000 4.846 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2365588156 GCBXAAPNLFOVJX-BFVZDQMLSA-N 468.560 4.723 50 10 JJGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@H]1CN(CC1(CBr)CC(F)C1)C2 2370148732 FTYKEMAOEVQGOR-DKVDKTFMSA-N 455.359 4.514 50 10 JJGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 14032368 ZYEBWBJTGMYTHW-UHFFFAOYSA-N 461.996 4.683 50 10 JJGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)O)cc1OC(=O)c1ccccc1Cl 33620342 FTZXROVOCGIXGW-VBKFSLOCSA-N 476.872 4.812 50 10 JJGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c1 35446576 IYXNKZDCGVUCTH-WZLQQZPBSA-N 456.546 4.530 50 10 JJGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cc(C)ccc4OC)c(C)c32)c1 40822185 QROYSRXGFHSDBM-TURZUDJPSA-N 461.518 4.636 50 10 JJGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 58889903 AJHDFYLUACGZAO-RJNBOEKGSA-N 497.935 4.800 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)cc1 58894647 JJSJVWZIZKDURT-WZRHPCBOSA-N 470.909 4.661 50 10 JJGE O=C(N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1cc(Br)ccc1O 59378575 YTLZXKIRAQEVIA-UFFVCSGVSA-N 457.309 4.539 50 10 JJGE COc1ccc([C@H](C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)CCl)cc1OC 97914569 AAVGNGIORDQACE-RUZDIDTESA-N 473.013 4.504 50 10 JJGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 102848538 IYKSHADMGJPLKU-CYVLTUHYSA-N 466.497 4.658 50 10 JJGE O=S(=O)(NC1(CBr)CCCCC1)c1cc(Cl)c(Br)s1 136562065 PHBWRQPKSQOILN-UHFFFAOYSA-N 451.633 4.540 50 10 JJGE O=S(=O)(c1cc(Br)ccc1Br)N1CCC[C@@H]1CCCBr 147743233 RGZNLEMFJVCNRN-NSHDSACASA-N 490.055 4.540 50 10 JJGE COc1ccc(/C=C\C(=O)Oc2ccc(C=NNC(=O)c3ccccc3-n3cccc3)cc2)cc1 254555352 LBKUBXVLFAQKCO-YRCMKLGVSA-N 465.509 4.869 50 10 JJGE O=C(Cc1cccc2ccccc12)NN=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 254871935 IICDYLGIUNZWBT-UHFFFAOYSA-N 453.454 4.660 50 10 JJGE O=C(NC1CCC(CBr)CC1)c1cc(Br)cc(Br)c1 311502266 POEDDBIQMLOWLE-UHFFFAOYSA-N 454.000 4.895 50 10 JJGE C[C@H](Cl)CC(C)(C)CNC(=O)c1cc(I)ccc1Br 393567334 NQDWIRPFGDXZRF-VIFPVBQESA-N 458.565 4.827 50 10 JJGE Cc1c(COc2c(Br)cc(Br)cc2CBr)cnn1C 689443807 BWYKYVMFWJEPAN-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE CCc1nn(C)c(COc2cc(Br)ccc2CBr)c1Br 691451276 PMGKDWCFAHCVET-UHFFFAOYSA-N 466.999 4.981 50 10 JJGE C[C@H](Br)[C@H]1CCCN(C(=O)c2cc(Br)sc2Br)C1 708415478 OVBLQRJWZBFUIA-YUMQZZPRSA-N 460.029 4.909 50 10 JJGE O=C(NC1(CCBr)CCSCC1)c1ccc(Br)cc1Br 719666635 VWTRIFJUQSQGHG-UHFFFAOYSA-N 486.067 4.992 50 10 JJGE COc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 1083970563 VXZXEEODWKCXCX-UHFFFAOYSA-N 469.335 4.809 50 10 JJGE O=C(CCCc1ccccc1)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084101744 PHNXTFYWFKTALT-UHFFFAOYSA-N 494.364 4.978 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(F)c([N+](=O)[O-])c2)C1 1614694275 IHIWPADMIRMFAR-CVEARBPZSA-N 484.265 4.521 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3C)ccc1OCc1ccc(Cl)cc1Cl 1865703521 AHBNPCAJONJRJJ-OAQYLSRUSA-N 471.344 4.841 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865713344 WXGOAGLLAZYFLA-HSZRJFAPSA-N 497.486 4.872 50 10 JJGE FC(F)(F)[C@@H]1C[C@]1(CCl)CNc1ncc(I)cc1Br 1877499124 BXSFLWVOSUVSPY-SCZZXKLOSA-N 469.470 4.668 50 10 JJGE CCn1ncc(Br)c1C(=O)N(Cc1ccccc1)C1(CBr)CCC1 1915761084 XAJAWELEJOUNNV-UHFFFAOYSA-N 455.194 4.626 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNc1cc(NC(=O)OC(C)(C)C)ccc1N 1985347850 ZRWVZIUEEDIDDO-UHFFFAOYSA-N 458.650 4.934 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@H]2CCCCC2(F)F)C1 2020373489 WAHQKWWEQHQDNE-BBRMVZONSA-N 459.315 4.786 50 10 JJGE CC[C@H](C)[C@@H](Br)CNC(=O)c1ccc(I)c(Br)c1 2029970729 JJDBJOIOTSDDAT-KWQFWETISA-N 488.989 4.593 50 10 JJGE CCCN(CCCBr)C(=O)c1cc(Br)ccc1I 2032097502 XPEDHMRBMZUWKI-UHFFFAOYSA-N 488.989 4.691 50 10 JJGE O=C(c1scc(Br)c1Br)N1CC(F)(F)C[C@@H]1CBr 2041121660 LLNPFDRSRCSSOX-RXMQYKEDSA-N 467.955 4.518 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2CCCC(C)(C)O2)CC1 2065754789 FMOHFHSDSIIPHM-OAHLLOKOSA-N 467.388 4.555 50 10 JJGE C[C@H]1CC[C@@](CBr)(NC(=O)c2scc(Br)c2Br)C1 2074198755 DXCNXLTZDKTFDW-JVXZTZIISA-N 460.029 4.957 50 10 JJGE C[C@@H](Br)C1CCN(C(=O)c2c(Br)cccc2Br)CC1 2094088032 GSIBOISCTZZOKP-SECBINFHSA-N 454.000 4.847 50 10 JJGE CC1(C)CO[C@H](CBr)CN1Cc1cccc(Br)c1Br 2111239984 YIONBAINSQSNPZ-LLVKDONJSA-N 456.016 4.586 50 10 JJGE O=C(c1cc(Br)sc1Br)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Br)C2 2134115571 YFUZJIVNRTUFHD-WXKLWKFWSA-N 476.003 4.752 50 10 JJGE CCn1cc(Br)c([C@H](Br)c2cc(Br)cc3c2OCC3)n1 2181175672 MMQAWUQGIPLBDH-GFCCVEGCSA-N 464.983 4.847 50 10 JJGE COC[C@@H]1CC[C@@H]([C@H](Br)c2cc(I)cc3c2OCC3)C1 2181797856 RAQGVBVWWLQJFT-HFAKWTLXSA-N 451.142 4.725 50 10 JJGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@@H]1C[C@H](CCl)C2 2184572812 BAFNAUVGWLBLIO-YHPBZONMSA-N 468.560 4.676 50 10 JJGE Cl[C@H](Cc1sc(Br)c(Br)c1Br)CN1CCOCC1 2222472962 QVQCVIPZPHIHRX-SSDOTTSWSA-N 482.463 4.518 50 10 JJGE CC1(C)OCCN(Cc2ccc(Br)cc2Br)[C@H]1CBr 2267681156 AGKKVOPFQYEQRO-ZDUSSCGKSA-N 456.016 4.586 50 10 JJGE C[C@H](CCCCCI)NC(=O)c1cc(F)c(Br)cc1F 2282147949 USLLBNZUIIVDEI-SECBINFHSA-N 460.100 4.841 50 10 JJGE BrC[C@@H]1CC[C@@H]2CN(Cc3c(Br)cccc3Br)C[C@@H]2O1 2289188837 SLOJAMADDSHDIG-ZETOZRRWSA-N 468.027 4.586 50 10 JJGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc(OC)c1OCC(=O)O 2313543614 VEVJPDRLBSPEBY-UHFFFAOYSA-N 461.301 4.740 50 10 JJGE COc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OC 2313630536 NKUFZUSLCZVODQ-UHFFFAOYSA-N 472.364 4.824 50 10 JJGE CC(C)[C@@H]1C[C@@H](Br)CN1C(=O)c1cc(Br)sc1Br 2321384018 PHSYBJGXDBNHGC-APPZFPTMSA-N 460.029 4.907 50 10 JJGE CCOc1ccc(Br)cc1[C@H](Br)c1c(Br)ncn1C 2337328118 MPILAAMXDRJADZ-NSHDSACASA-N 452.972 4.828 50 10 JJGE C[C@@H](Br)c1ccccc1NC(=O)c1c(Br)c(Br)nn1C 2364019782 WJFNTZVZCJTQAX-SSDOTTSWSA-N 465.971 4.653 50 10 JJGE C[C@H]1COc2ccc([C@@H](Br)c3c(Br)c(Br)nn3C)cc21 2364227918 GGEFCZCUXLINTI-WRWORJQWSA-N 464.983 4.925 50 10 JJGE COc1ccc(C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1I 12573862 NIHVCTFSXSECBN-ZVHZXABRSA-N 486.309 4.643 50 10 JJGE O=C(NNC(=O)c1cc(Br)ccc1OCCc1ccccc1)c1ccc(Cl)cc1 14665529 NIDHVVCLUMFPCO-UHFFFAOYSA-N 473.754 4.799 50 10 JJGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](CC)Oc2ccc(-c3ccccc3)cc2)cc1 14768649 QWFXGNATSPVEQE-DEOSSOPVSA-N 459.546 4.711 50 10 JJGE O=C(NC(=O)c1c(F)cccc1F)Nc1ccc([S@](=O)C(F)(F)[C@H](F)Cl)cc1Cl 31500304 BZOALTXJOBEDFO-MLNJSSBLSA-N 475.222 4.815 50 10 JJGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(CC)cc3)ccc21 38650552 VLAYUWWDAUTVQP-MHZLTWQESA-N 470.525 4.850 50 10 JJGE CCOC(=O)c1c(NC(=O)N/N=C\c2cccc(Br)c2)sc2c1CCCC2 40853791 UJJKQPAADXQSRT-NHDPSOOVSA-N 450.358 4.722 50 10 JJGE COc1cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1ccc(C#N)cc1 104980245 NUFCIHRTPQQWBQ-XKZIYDEJSA-N 472.508 4.850 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)ccc1C(C)C 206403333 NVSGAAGYKUFPCS-BKUYFWCQSA-N 488.540 4.928 50 10 JJGE COc1cc(C=NNC(=O)CNc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1 254306513 ABMBSHORYKWQSI-UHFFFAOYSA-N 457.452 4.855 50 10 JJGE C[C@@H]1C[C@H](CBr)CN(C(=O)c2cc(Br)ccc2Br)C1 398780961 IAIQLUISRYWVMS-NXEZZACHSA-N 454.000 4.705 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@@H](C)C1Br 688134412 NVDFFPXKTOZQHI-RNFRBKRXSA-N 460.029 4.765 50 10 JJGE CCOc1ccccc1[C@H](CC)NC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 726267886 GUCAYXCATAUDOI-QFIPXVFZSA-N 465.525 4.899 50 10 JJGE Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 729344222 CRFISAXANMINPH-JZQBQCRLSA-N 487.947 4.903 50 10 JJGE Cc1cc(C)n(-c2ccc(COC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)cc2)n1 746127062 FPEGMXYKYFIPPA-JLPGSUDCSA-N 476.540 4.917 50 10 JJGE CCOc1ccc(Br)cc1C=NNC(=O)[C@@H](C)Oc1ccccc1Br 1083859508 BOCXAHHXVGHFQW-GFCCVEGCSA-N 470.161 4.528 50 10 JJGE Cc1cccc(C(=O)NN=C2C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)c1 1083976597 HQOFWAOEEMKEGP-UHFFFAOYSA-N 466.310 4.578 50 10 JJGE COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1Br 1084090559 ABELNADRLHXVJY-VGOFMYFVSA-N 463.715 4.508 50 10 JJGE CCCC[C@@H](NC(=O)c1cc(C)n(-c2ccccc2F)n1)C(=O)Nc1ccc(SC#N)cc1 1867167715 IQRMSPHOUHVJIJ-HXUWFJFHSA-N 465.554 4.820 50 10 JJGE C[C@@H](N)Cc1cc(Br)cc(Br)c1OC[C@H]1C[C@H](Br)C1 1887901783 SCYSOGLBYUZKMX-FXPVBKGRSA-N 456.016 4.654 50 10 JJGE O=C(c1cccc(I)c1)N(CCCBr)Cc1ccccc1 1914611762 WHGZUODNNBCWPC-UHFFFAOYSA-N 458.137 4.719 50 10 JJGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 1914635465 YAKMDQVPUVLVJF-LBPRGKRZSA-N 456.134 4.783 50 10 JJGE O=C(N[C@H](CCBr)C(F)(F)F)c1cc(Br)cc(Br)c1 1918554015 RZVGGPMTLZCOQM-SECBINFHSA-N 467.905 4.657 50 10 JJGE CC1(C)C[C@@H](Br)CN(c2ncc(C(F)(F)F)cc2I)C1 1923146733 DGWJMEUECFIZGX-SECBINFHSA-N 463.079 4.705 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 2010826612 FCJTUEUXPBAURI-FGTMMUONSA-N 475.721 4.518 50 10 JJGE CCC[C@H](CBr)CNC(=O)c1cc(Br)ccc1I 2057119024 CHBPETBSWCQWLB-SECBINFHSA-N 488.989 4.595 50 10 JJGE CC(C)C[C@@H](CBr)NC(=O)c1ccc(Br)cc1I 2086147717 QNRISECTIMZSLO-JTQLQIEISA-N 488.989 4.593 50 10 JJGE CC[C@H](Br)CN(CC)c1ncc(C(F)(F)F)cc1I 2106613530 BBYUCUPTCRNFDF-VIFPVBQESA-N 451.068 4.705 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1CC[S@@](=O)(=NCC2(CBr)CCCCCC2)C1 2106783223 YDAKQCWEWNHICB-DXPJPUQTSA-N 451.471 4.735 50 10 JJGE CCn1cc(Br)c([C@@H](Br)c2ccc(OC)cc2Br)n1 2124765316 CLCIUDIMFPAEHM-LBPRGKRZSA-N 452.972 4.921 50 10 JJGE BrCc1cc(Br)ccc1N1CC[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2129050177 CGBUEWDOMIMDSA-RTWAWAEBSA-N 480.244 4.824 50 10 JJGE CC1(C)[C@@H](Br)CC[C@@H]1NC(=O)c1cc(Br)cc(Br)c1 2142137133 QCRIHULVTQHTJF-RYUDHWBXSA-N 454.000 4.894 50 10 JJGE CC(C)(C)[C@@H](CBr)CNS(=O)(=O)c1cc(Br)ccc1Br 2146382661 AXJWSRFGRLXCTP-VIFPVBQESA-N 492.071 4.547 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2CCC[C@]2(CCl)C1 2159408396 LDQCHKTZAINCNY-NHYWBVRUSA-N 468.560 4.535 50 10 JJGE C[C@](CI)(O[C@H]1COC2(CCC2)C1)c1ccccc1Br 2197361279 WGUZDFWSFAKCGB-IUODEOHRSA-N 451.142 4.828 50 10 JJGE CC(C)(C)C1CC(CBr)(NC(=O)c2ccccc2I)C1 2289828839 JBUAMZNUDWYAOT-UHFFFAOYSA-N 450.158 4.611 50 10 JJGE O=C(C=Cc1cccc2ccccc12)NNC(=O)COc1ccc2ccccc2c1Br 2293261823 SUMFMYYRHARHPX-UHFFFAOYSA-N 475.342 4.995 50 10 JJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)NCCc1ccccc1 2314522700 UENQACMDNOPAGH-UHFFFAOYSA-N 476.536 4.576 50 10 JJGE O=C(N[C@H](CCBr)COCc1ccccc1)c1c(F)cc(Br)cc1F 2320355893 DMJRFNNTXZENGB-CQSZACIVSA-N 477.143 4.828 50 10 JJGE Brc1cc(CN2C[C@H]3C[C@H]2CC[C@H]3Br)ccc1I 2325208691 XJDFVHQIPROGIS-IJLUTSLNSA-N 485.001 4.802 50 10 JJGE COc1ccc(CCCCO[C@](C)(CI)CNC(=O)OC(C)(C)C)cc1 2344002457 DEZRTBGNTXKQKJ-HXUWFJFHSA-N 477.383 4.753 50 10 JJGE Cc1nsc(Br)c1-n1c(CCl)nc2cc(I)ccc21 2352256230 KLXXETURNZWJQH-UHFFFAOYSA-N 468.545 4.896 50 10 JJGE CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1 33375109 UVKDZZRUROUDIC-RCCKNPSSSA-N 452.489 4.910 50 10 JJGE CCCn1c(-c2ccc(C(=O)NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])s2)nc2ccccc21 35554275 JRBFNQUJZNNVJU-UHFFFAOYSA-N 466.479 4.748 50 10 JJGE Cc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccccc2F)nc2c(C)cccn2c1=O 39858731 LZPFWOGWJPTGKY-JXAWBTAJSA-N 454.461 4.788 50 10 JJGE Cc1ccccc1NC(=O)/C(C#N)=C/c1c(Oc2ccccc2C)nc2c(C)cccn2c1=O 39993166 GVXPCBFWBSWQSV-HMMYKYKNSA-N 450.498 4.958 50 10 JJGE CCOc1ccc(/C=N/NC(=O)c2ccccc2OCc2cccc(Br)c2)cc1O 96095868 UBKPXEKKNLHMGF-AFUMVMLFSA-N 469.335 4.896 50 10 JJGE C[C@@H](N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)[C@H]1C[C@H]2CC[C@H]1C2 244148756 UTQCVMLLJMWEHS-PYEINGIGSA-N 468.645 4.742 50 10 JJGE CCOC(=O)COc1ccc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)cc1OCC 252603455 FRNFNCQQSKJICK-UHFFFAOYSA-N 460.486 4.691 50 10 JJGE 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@]21OCO[C@]12COCO2 254826768 KZKVGEIAXRKFFJ-YBSSPCBISA-N 476.686 4.792 50 10 JJGE C[C@H](Cl)C[C@@H]1CCCN1C(=O)c1cc(Br)ccc1I 311986341 MVFUQYCVNORRCD-ONGXEEELSA-N 456.549 4.676 50 10 JJGE C[C@H](Br)C[C@H]1CCCN1C(=O)c1cc(Br)ccc1Br 382121405 UXEOURHOBSKQIC-GXSJLCMTSA-N 454.000 4.990 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)c(-c2ccccc2)n1 761414138 DCTMBQDBIUFFGJ-QGOAFFKASA-N 493.445 4.571 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cn(Cc3ccccc3C#N)c3ccccc23)cc1 1083946742 CJLKVKKUNPHNAO-NDEPHWFRSA-N 480.568 4.924 50 10 JJGE O=C(NN=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1ccc(F)cc1 1084220159 ANRBAQPVZBOPNZ-UHFFFAOYSA-N 460.292 4.800 50 10 JJGE COc1cc(OC)c(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1Br 1084234846 OZTOAHJCVRGFHR-UHFFFAOYSA-N 482.128 4.739 50 10 JJGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(CSCc2ccccc2)cc1 1084530758 MNBNZTIEQYGPAM-UHFFFAOYSA-N 490.585 4.629 50 10 JJGE CC(=O)N1C[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](CI)C1 1614615675 MUJYIAZPHJXLGB-GXFFZTMASA-N 465.175 4.721 50 10 JJGE O=C(OCCCCCl)SC(=S)NCCNC(=S)SC(=O)OCCCCCl 1615943391 FCHVYGFWIZXUQY-UHFFFAOYSA-N 481.514 4.513 50 10 JJGE COc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc(Br)c1OC 1772756176 MUUJJUITURKNLC-CQSZACIVSA-N 463.372 4.681 50 10 JJGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Cl)ccc2O)cc1 1865690038 ZNYXUSPSWYKWOE-KRWDZBQOSA-N 460.843 4.836 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1ccc(F)cc1F 1865702007 KMWFWQDNNGYPDX-MRXNPFEDSA-N 450.342 4.586 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 1865708647 BSOYJHOPXHMPPW-HXUWFJFHSA-N 493.361 4.592 50 10 JJGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c1 1873921113 VVQJUVYPCUXOJZ-PJJVEECESA-N 489.553 4.941 50 10 JJGE Cn1cc([C@@H](Cl)c2sc(Cl)cc2I)c(Br)n1 1901019814 BZHCYUIEVWXPLF-SSDOTTSWSA-N 451.942 4.830 50 10 JJGE CC[C@@H](C)[C@@H](CI)NC(=O)c1csc(Br)c1Br 2023034633 XMCIOHKIWFBQGO-HTRCEHHLSA-N 495.018 4.853 50 10 JJGE C[C@H](NC(=O)c1cc(Br)sc1Br)[C@@H]1CCC[C@H]1Br 2048891013 KMHYRDANFIGTIH-ACLDMZEESA-N 460.029 4.955 50 10 JJGE O=C(CBr)c1cc(I)cc(OC(F)(F)F)c1C(F)(F)F 2055119750 TVTQXQQBMMMWEF-UHFFFAOYSA-N 476.936 4.786 50 10 JJGE F[C@H]1CCO[C@@H]1CC(CBr)(CBr)c1ccccc1Br 2122533918 SLAIYQDCPFYLFM-QWHCGFSZSA-N 458.991 4.994 50 10 JJGE CC[C@H](Br)[C@@H]1CCCCN1C(=O)c1cc(I)ccc1F 2170618162 QBSANBLSVGBQRB-JSGCOSHPSA-N 454.121 4.599 50 10 JJGE CC1(C)CO[C@@H](COc2c(Br)cc(Br)cc2CBr)CO1 2176670094 LSVSFIIJDJLSHG-NSHDSACASA-N 472.999 4.679 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@](=O)(=NCc1ccc(CBr)cc1)C2 2182855795 QZDFZWDNMRQLGW-NFQMXDRXSA-N 457.434 4.723 50 10 JJGE CC1(C)CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H]1CCCl 2238470816 ROEWPBOPRPKJGF-NSHDSACASA-N 470.576 4.781 50 10 JJGE O=C(c1cc(Br)c(O)cc1O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2256018301 YDFYGNIPXLPSCI-INIZCTEOSA-N 469.173 4.676 50 10 JJGE C[C@@]1(CNC(=O)c2cccc(Br)c2Br)CCC[C@H]1Br 2271300162 IPRGILBBYSBBTF-RISCZKNCSA-N 454.000 4.895 50 10 JJGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C[C@@H]2CC=C(C)C[C@@H]2C)c(OC)c1 2297322154 RMJITTRYQPRBOH-UGKGYDQZSA-N 461.562 4.569 50 10 JJGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1cc(C(=O)O)ccc1Cl 2313567935 PXQQCBHHSFCFMQ-UHFFFAOYSA-N 488.975 4.702 50 10 JJGE CCCCCCCCOc1ccc(C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 2314620535 QBDABGVTSSAMQP-UHFFFAOYSA-N 496.604 4.980 50 10 JJGE CCOC(=O)c1ccc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2324598926 HWPRXVMYXIBNGK-UHFFFAOYSA-N 494.595 4.616 50 10 JJGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1Cl 2331377498 FOLUQYRCQSKVMV-LBPRGKRZSA-N 495.944 4.958 50 10 JJGE C[C@]1(CNC(=O)c2ccc(Cl)cc2I)CCC[C@@H]1Br 2340055780 BBSMSJQBCFEVDQ-GXTWGEPZSA-N 456.549 4.628 50 10 JJGE Cc1nn(-c2ccc(F)cc2)c2nc(CCC(C)C)nc(N3CCCN(C(=O)CCCl)CC3)c12 37380579 RROVFMJKJIMDFY-UHFFFAOYSA-N 487.023 4.519 50 10 JJGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(F)c2)cc1 38678303 KJEUZSLQYBVEJT-LMKMVOKYSA-N 458.489 4.979 50 10 JJGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)c1 38684547 KRONJDYZHRWSOH-MHZLTWQESA-N 468.509 4.762 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1 58892771 ZRUOKROVEZEALC-IBUSPFOHSA-N 451.479 4.526 50 10 JJGE N#C/C(C(=O)Cn1cnc2scc(-c3cccc([N+](=O)[O-])c3)c2c1=O)=C1\Nc2ccccc2S1 103908338 CHZWXNSHHFTSRS-QNGOZBTKSA-N 487.522 4.555 50 10 JJGE Cc1cc(CC(CBr)(CBr)c2cccc(Br)c2)n(C)n1 118878812 HPIXXCGOWMIVII-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE O=S(=O)(NC[C@H]1CCCC[C@H]1CBr)c1ccc(Br)cc1Cl 136740980 YZQZKSAXCFPFSE-WDEREUQCSA-N 459.631 4.582 50 10 JJGE COc1ccc(C(=O)Oc2cccc(C=NNC(=O)COc3cc(C)ccc3C(C)C)c2)cc1 254814923 SHAUUSMSACRVGM-UHFFFAOYSA-N 460.530 4.875 50 10 JJGE C[C@H]1[C@H](CI)[C@@H](I)C[C@@H](C)N1Cc1ccccc1 306978310 BXBKPOFWLMUDRN-DHMWGJHJSA-N 469.148 4.524 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccc(Br)cc2F)C1 382690361 HYRUVILTUPPHHI-MFKMUULPSA-N 484.147 4.974 50 10 JJGE CC[C@@H]1[C@H](CBr)CCN1C(=O)c1ccc(Br)cc1Br 386325067 UQODULJQBUJCDJ-TVQRCGJNSA-N 454.000 4.847 50 10 JJGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)N3CCN(Cc4ccccc4)CC3)c2)cc1 586668259 BGVXXCGETXHWDB-UHFFFAOYSA-N 471.586 4.862 50 10 JJGE COCc1cc(Br)c([C@@H](Br)c2cnn(C)c2Br)s1 688092197 WCRYEKXYGCBBNJ-VIFPVBQESA-N 459.001 4.637 50 10 JJGE O=C(COC(c1ccccc1)c1ccccc1)NNC(=S)Nc1cccc(Br)c1 770995226 DKTIELDLDYQLDM-UHFFFAOYSA-N 470.392 4.573 50 10 JJGE COc1ccc(-c2nc(COC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)co2)cc1 913216079 GSXMKEWLTOECGO-STZFKDTASA-N 479.496 4.778 50 10 JJGE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2OC)c1 915842988 FGMKGRJMFSWHIG-JAIQZWGSSA-N 472.497 4.786 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)CSCc2ccccc2Cl)cc1 1084051805 JYVHRXNUXVUIRA-UHFFFAOYSA-N 489.018 4.800 50 10 JJGE C=CC[C@H](NC(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1ccncc1 1679335038 QDPNLPNTBGFHAC-QFIPXVFZSA-N 450.926 4.575 50 10 JJGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865693722 QIYOAEDGUSEYBQ-HSZRJFAPSA-N 458.562 4.818 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865708399 WCSIZMPZHAUIKP-XMMPIXPASA-N 464.525 4.839 50 10 JJGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)s1 1915068694 BTYDFQGBWFARRR-CYBMUJFWSA-N 467.248 4.875 50 10 JJGE O=C(CBr)c1ccc(I)c(Br)c1C(F)(F)F 2054867054 QNDNRUMZOVRGNS-UHFFFAOYSA-N 471.836 4.650 50 10 JJGE COc1ccc([C@H](Br)c2cc(I)cc3c2OCC3)s1 2095796507 WDDMVBLBDFINCG-CYBMUJFWSA-N 451.123 4.781 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2CCC[C@]2(CBr)C1 2103173957 XVANOAYZWCEDOL-SDBXPKJASA-N 472.040 4.910 50 10 JJGE C[C@H]1CC[C@@H](CBr)N(C(=O)c2cc(Cl)ccc2I)C1 2110617178 PATLBOKXGPTASG-ONGXEEELSA-N 456.549 4.580 50 10 JJGE CC[C@]1(CBr)COCCN1Cc1c(Br)cccc1Br 2112721316 URXOEHWUVZIKNV-AWEZNQCLSA-N 456.016 4.588 50 10 JJGE CC(C)C[C@@H](CBr)CNC(=O)c1cc(Cl)ccc1I 2120743525 WPHCGZFUHHPQCH-JTQLQIEISA-N 458.565 4.732 50 10 JJGE CN([C@@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1ccsc1CBr 2123284069 NAHFQIPJTPZHDM-QAPCUYQASA-N 458.443 4.647 50 10 JJGE BrCc1ccc(Br)cc1N1CC[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2129054769 QEALTJTUCXZGCY-SFTDATJTSA-N 480.244 4.824 50 10 JJGE O=C(c1cc(Br)ccc1I)N1[C@H]2CCC[C@H](Cl)[C@H]1CC2 2154101124 MOWNHFNVAHHVGP-VHRBIJSZSA-N 468.560 4.818 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1[C@H](CBr)C[C@H]2CCC[C@@H]21 2164656937 RQHSSBMAOPYLRG-PUYPPJJSSA-N 466.011 4.990 50 10 JJGE CN(Cc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(CBr)cc2Cl)C1 2179792860 LJIRFFBBQBHOSV-SFHVURJKSA-N 471.848 4.520 50 10 JJGE C[C@@H](CO[C@H](CI)c1ccc(Br)cc1)N1CCCCC1 2186736168 QSLMZAYOIZCOHD-XJKSGUPXSA-N 452.174 4.816 50 10 JJGE CN(C(=O)c1ccc(Br)cc1I)C1(CCl)CCSCC1 2207272823 PPXWTKAODYQDHS-UHFFFAOYSA-N 488.616 4.630 50 10 JJGE O=C(c1cc(F)c(Br)cc1Cl)N1CCC(CI)CC1 2267802977 YREQPBPXVQGJPY-UHFFFAOYSA-N 460.512 4.529 50 10 JJGE C[C@]1(CBr)C=CCCN1C(=O)c1ccc(Cl)c(I)c1 2268341522 DXVYEZATFZEHAI-CQSZACIVSA-N 454.533 4.500 50 10 JJGE Cc1c(Br)ccc([C@H](Br)[C@H]2C[C@H](S(C)(=O)=O)C2)c1Br 2269776306 NCICDKPXAGLYKZ-JRKPZEMJSA-N 475.040 4.779 50 10 JJGE Cc1ccccc1NC(=O)C(C#N)=Cc1cc(Br)c(I)o1 2293370104 WVYOBNBRHXDTFX-UHFFFAOYSA-N 457.065 4.501 50 10 JJGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2CCn3ccnc3C2)c1 2295331681 MNGAINGPDCXLLN-RISCZKNCSA-N 463.011 4.977 50 10 JJGE COc1ccc(C=C(C#N)C(=O)NCc2ccccn2)cc1COc1ccccc1Br 2295680580 QUTZGRPAEKLNCM-UHFFFAOYSA-N 478.346 4.655 50 10 JJGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2296506742 CGJYXLIMDXYXDK-QHCPKHFHSA-N 457.530 4.568 50 10 JJGE C[C@H]1CN(Cc2ccc(I)c(Br)c2)CC[C@H]1Br 2306231686 LYQOACRCBQHSGU-GXSJLCMTSA-N 472.990 4.659 50 10 JJGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 2313518410 AZHCAAPQVRGGDQ-UHFFFAOYSA-N 472.295 4.866 50 10 JJGE CCN(C[C@@](C)(CI)OC[C@@H]1C[C@H]2[C@@H](C1)C2(F)F)C(=O)OC(C)(C)C 2320758218 LNRPMAJCNXRGJP-UMPJEAMMSA-N 473.342 4.745 50 10 JJGE Cc1c([N+](=O)[O-])cc(C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1[N+](=O)[O-] 2331331818 VWRMJAVASHPOKZ-UHFFFAOYSA-N 466.431 4.656 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2CC[C@H]1C[C@@H]2Br 2337158940 YACAGCLONXRUDF-QRTLGDNMSA-N 451.984 4.600 50 10 JJGE Cc1scc(CN(C)S(=O)(=O)c2ccc(CBr)s2)c1Br 2369645210 SNRJWJNHLOMPCB-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE CC(C)(C)OC(=O)NCC[C@H](N(C[C@@]1(CBr)CC1(F)F)C1CC1)C(F)(F)F 2379985696 KANCZOYQHFDACU-WFASDCNBSA-N 465.301 4.717 50 10 JJGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccco2)cc1 3664395 DJLBYRVHZBOAGB-OVVQPSECSA-N 473.554 4.747 50 10 JJGE C=CCOc1ccc(C(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1 14645712 BFLCRPHIUXMSFW-UHFFFAOYSA-N 461.356 4.514 50 10 JJGE CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1 14653112 UFEXJPOMLGZPIA-UHFFFAOYSA-N 477.399 4.984 50 10 JJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)Cc2cccc3ccccc23)c(Br)c1 14832309 UUCOJNBOUMQZLU-INIZCTEOSA-N 469.379 4.885 50 10 JJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1OC 38680819 BCVFGOLEFPVIPL-SANMLTNESA-N 484.508 4.706 50 10 JJGE Cc1ccccc1C(=O)NNc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-] 40583281 XDPREACOZYRQQF-UHFFFAOYSA-N 466.807 4.866 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CSc1ccc(C)cc1 40947017 MLXDRXBKHCNKES-DEDYPNTBSA-N 476.554 4.908 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc(OCC)c(OCC)c(OCC)c2)cc1 40969718 YKAZRSXXSLVTQU-RCCKNPSSSA-N 480.561 4.925 50 10 JJGE COc1ccc(/C=C(\C#N)C(=O)N(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 40971410 QMWJJKCODPSNDI-NBVRZTHBSA-N 482.945 4.686 50 10 JJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C(=O)N(Cc2ccccc2F)c2ccccc21 59156623 FTPPREACUSTUEA-HINPGWETSA-N 486.330 4.967 50 10 JJGE CN1Cc2cc([C@@H](Br)c3cccc(I)c3)ccc2NC1=O 123288991 UWFNJSUEMHSAHX-HNNXBMFYSA-N 457.109 4.753 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)NCC(C)(C)CCBr)cc1Br 227934134 DSLIENLSFLJSFC-UHFFFAOYSA-N 492.071 4.610 50 10 JJGE CC1(C)CC(NC(=O)c2cccc(NC(=O)Nc3ccc(SC#N)cc3)c2)CC(C)(C)N1 586701153 XMCAQLGTCLHLER-UHFFFAOYSA-N 451.596 4.943 50 10 JJGE CN(Cc1cc(Br)ccc1F)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 914488753 CVQGMZLXCHZFBK-PDGQHHTCSA-N 492.352 4.931 50 10 JJGE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)c3cccc(OC)c3)cc2OC)c1 915861886 DYUXIGVJBRGJRK-KEBDBYFISA-N 473.481 4.730 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3cc(C(=O)O)ccc3Cl)o2)cc1 1084267639 JJSJVWZIZKDURT-OAQYLSRUSA-N 470.909 4.661 50 10 JJGE O=C(NN=C(CSc1nc2ccccc2o1)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084476569 WAUONIJUFARMTD-UHFFFAOYSA-N 477.458 4.571 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1cccc([N+](=O)[O-])c1 1865706329 UAFLIXDTIFAFBI-MRXNPFEDSA-N 475.814 4.730 50 10 JJGE Cc1ccc(-c2ccc(C(=O)NNC(=O)CCc3ccccc3Br)c(C)n2)cc1C 1865756437 YWGHNQNYZPDBHQ-UHFFFAOYSA-N 466.379 4.830 50 10 JJGE N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1ccc(I)cc1 1866131743 LDONUPDVPLVPPS-XYOKQWHBSA-N 453.077 4.599 50 10 JJGE CN(C[C@@H]1C[C@@H]1Br)C(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 1910142006 CPOPBZHQVCNLMQ-FZMZJTMJSA-N 462.182 4.652 50 10 JJGE CC(C)([C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)[S@](=O)CC1CC(Cl)C1 1991724580 XXEAFDZHSXUBLJ-IUGFNMKMSA-N 490.021 4.523 50 10 JJGE C[C@@H]1CC[C@H](CBr)N(C(=O)c2cc(Br)c(Br)s2)C1 2048054281 YNZZVURTKNHVPN-HTQZYQBOSA-N 460.029 4.909 50 10 JJGE O=C(c1csc(I)c1)N1CCC[C@@H]2CC[C@H](Br)C[C@H]21 2110689037 HGESNLANUCCFFG-ADEWGFFLSA-N 454.171 4.521 50 10 JJGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cccc(Br)c1Br 2148757914 UNPANQWGOWTYNW-HIAZDOBYSA-N 466.011 4.988 50 10 JJGE C[C@@]1(CBr)CC(F)(F)CN1C(=O)c1cc(Br)ccc1Br 2159050321 SQLAHPKSKJOLJK-LBPRGKRZSA-N 475.953 4.846 50 10 JJGE Cc1ccc(Br)c(CC(CBr)(CBr)C2CCOCC2)n1 2169022878 GBDWKTCDKZYUQL-UHFFFAOYSA-N 470.043 4.898 50 10 JJGE CC(C)[C@@H](CCl)N(Cc1ccccc1)S(=O)(=O)Cc1ncsc1Br 2213759243 DZVXDYVOZOHEAR-OAHLLOKOSA-N 451.839 4.501 50 10 JJGE Cc1cc(C)c([C@H](Br)c2nn(C)nc2Br)c(C)c1Br 2226985098 ATMQSDVKEULENC-NSHDSACASA-N 451.988 4.750 50 10 JJGE Cn1nc(Br)c([C@@H](Br)c2ccc(Br)c3ccccc23)n1 2235270886 WWXQZOOMCPMIGP-LBPRGKRZSA-N 459.967 4.978 50 10 JJGE C[C@@H]1C[C@@H](Br)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2277934502 JMJFZLPAMKHKHH-KOLCDFICSA-N 454.000 4.529 50 10 JJGE O=C(N[C@@]1(CBr)C[C@H]2CC[C@H]1C2)c1c(Br)cccc1Br 2283921176 SNHIKQGVWCXKTJ-AMJWSMQMSA-N 466.011 4.895 50 10 JJGE CCOC(=O)c1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1 2296507016 PJWRCCQRWCNKGU-DEOSSOPVSA-N 497.576 4.928 50 10 JJGE Brc1cc(CN2CCCC[C@@H](Br)C2)ccc1I 2306214769 LSPUEDDHUDEIMJ-LLVKDONJSA-N 472.990 4.803 50 10 JJGE CC(C)(CI)CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 2306808838 DFBNLHCHOIJICT-HNNXBMFYSA-N 450.405 4.559 50 10 JJGE N#CC(=Cc1cc(Br)c(N2CCCC2)o1)C(=O)Nc1cccc(Br)c1 2313562560 WVNPQPMADDMMDT-UHFFFAOYSA-N 465.145 4.950 50 10 JJGE CCOc1ccccc1NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324608440 TUUKANQTWFAHEH-UHFFFAOYSA-N 466.585 4.838 50 10 JJGE CCOC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1NC(=O)C(C#N)=Cc1ccccc1 2325312940 WKDXUTCUVSSKHU-UHFFFAOYSA-N 479.334 4.666 50 10 JJGE COc1cc(NC=C(C#N)C(=O)Nc2ccc(I)cc2C)c(OC)cc1Cl 2325409356 COKWHTHMKGLZLU-UHFFFAOYSA-N 497.720 4.728 50 10 JJGE CCOC(=O)c1cnn(-c2ccc(Cl)cc2)c1NC(=O)C(C#N)=Cc1ccc(Cl)cc1 2329654416 DYQRDFKVRBELSR-UHFFFAOYSA-N 455.301 4.901 50 10 JJGE COc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc(OC)c1OC 2331491595 VAEOUVPZWLGAJD-UHFFFAOYSA-N 468.531 4.926 50 10 JJGE CS(=O)(=O)C1([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)CC1 2335288701 IIXMNAMSQWBDHT-JTQLQIEISA-N 454.970 4.908 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CCC[C@H](CCBr)C1 2340054428 MSONJTVEWCHQRF-SNVBAGLBSA-N 456.549 4.582 50 10 JJGE CCC[C@H]1CN(C(=O)c2ccc(Cl)cc2I)C[C@H]1CBr 2365586108 IKKCZWAOPJCQJY-WDEREUQCSA-N 470.576 4.828 50 10 JJGE O=C(N/N=C/c1cc(Cl)cc(Br)c1O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 3661553 VNDHRDCKRBAWIB-DHRITJCHSA-N 496.752 4.820 50 10 JJGE CC/C(=N\NC(=O)COc1c(Br)cc(C)cc1Br)c1ccccc1 20072713 FZIZJXSYRFBOPC-LTGZKZEYSA-N 454.162 4.829 50 10 JJGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OC)cc1 38650405 KBBCWRZVGBJZDQ-RUZDIDTESA-N 456.498 4.921 50 10 JJGE COc1ccc(N/C=C(\C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)c(OC)c1 100335116 SBNPYCUNHSAAHB-SDNWHVSQSA-N 476.470 4.818 50 10 JJGE COc1cc(N/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)c(OC)cc1Cl 217254270 COKWHTHMKGLZLU-BENRWUELSA-N 497.720 4.728 50 10 JJGE CC[C@H](CCBr)CNC(=O)c1cc(Br)ccc1I 234004705 KOCQNSLPMKUBOG-SECBINFHSA-N 488.989 4.595 50 10 JJGE CC(=NOCC(=O)NN=Cc1c(O)c(Br)cc2oc3c(c12)CCCC3)c1ccccc1 252623851 PAPXHAIVXOMZIR-UHFFFAOYSA-N 484.350 4.671 50 10 JJGE Cc1cnc(COc2c(Br)cc(CBr)cc2Br)cn1 693746886 QCVQAJDYPLCEMP-UHFFFAOYSA-N 450.956 4.784 50 10 JJGE CC(C)S(=O)(=O)CCCOc1c(Br)cc(Br)cc1CBr 697099683 BRTYIBFAVVTABG-UHFFFAOYSA-N 493.055 4.699 50 10 JJGE Cc1cc2ncn(CC(=O)NN=C3C(=O)N(Cc4cccc5ccccc45)c4ccccc43)c2cc1C 1084111428 JLAQGSSIXISLDJ-UHFFFAOYSA-N 487.563 4.874 50 10 JJGE C=CCNC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1 1358124206 WFCRZWSGOUWONR-CJLVFECKSA-N 454.530 4.564 50 10 JJGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2)c1cccc(C)c1 1772745545 BAXGALSHPITWOS-UHFFFAOYSA-N 474.517 4.942 50 10 JJGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)cc1OC 1865696704 JCEVFTNLRGRMAK-XMMPIXPASA-N 458.562 4.899 50 10 JJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1C(=O)O)C(C#N)=C(N)O2 1865704455 WIYDBRWNUFIBHO-SFHVURJKSA-N 455.301 4.658 50 10 JJGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)ccc1OCCN1CCOCC1 1872793342 VJFHKTMCCQLRGB-XDHOZWIPSA-N 483.540 4.872 50 10 JJGE CC(C)[C@@H](CBr)NCc1ccc(I)c(Br)c1 1904340327 XXSKWCSEQOSCCW-GFCCVEGCSA-N 460.979 4.563 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@@]2(CCC[C@H]2Br)C1 1918939998 PIJLAYDKFKLDBF-HIFRSBDPSA-N 466.011 4.991 50 10 JJGE O=C(NC1CCC(CBr)CC1)c1csc(Br)c1Br 2032954003 UNDQTEAMILVHIC-UHFFFAOYSA-N 460.029 4.957 50 10 JJGE CC(C)[C@H](Br)c1cn(-c2ccc(I)c(Br)c2)nn1 2057430129 WQWKMKQRZOSLKB-LBPRGKRZSA-N 484.961 4.726 50 10 JJGE CC1(C)C[C@@H](CBr)CN(c2ncc(I)cc2Br)C1 2069529464 QEWNBNANNWCPJV-VIFPVBQESA-N 488.005 4.696 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CC[C@@H](CBr)C12CC2 2070145294 AMIZVIKDLFSAGU-ZETCQYMHSA-N 458.013 4.663 50 10 JJGE O=C(NC[C@@H](CBr)C(F)(F)F)c1cc(Br)cc(Br)c1 2105269821 JTFJJQYLACVGAS-SSDOTTSWSA-N 467.905 4.515 50 10 JJGE CC(F)(F)C[C@@H](CBr)NC(=O)c1cc(Br)ccc1Br 2113236975 ZNARUPGVWXLING-QMMMGPOBSA-N 463.942 4.750 50 10 JJGE CN([C@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CBr)s1 2123242925 CIONMHMWEJSQJJ-WMZOPIPTSA-N 458.443 4.647 50 10 JJGE CCC[C@@](C)(CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2146581200 AFCMBTMKNRFTPV-LBPRGKRZSA-N 468.038 4.988 50 10 JJGE BrC[C@H]1CN(Cc2cccc(Br)c2Br)CC2(CCC2)O1 2165767741 XAQTWQYQYURMMS-LBPRGKRZSA-N 468.027 4.730 50 10 JJGE CN(Cc1c(Br)cnn1C)c1cc(Br)cc(F)c1CBr 2170696628 HJSMPORPNXPGRN-UHFFFAOYSA-N 469.978 4.616 50 10 JJGE C=CC[C@H](CBr)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2202050539 QKUPUHMWCLGSSE-MRVPVSSYSA-N 466.022 4.621 50 10 JJGE CN(C(=O)c1c(Br)cccc1Br)[C@@H](CBr)CC1CC1 2226146883 JZAXEDRFMCXJER-SNVBAGLBSA-N 454.000 4.847 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CCC[C@@H](CCCCl)C1 2234183755 MYLZCGFQYFNRKN-LLVKDONJSA-N 470.576 4.925 50 10 JJGE COc1ccc(CCN2C(=O)C(=CNc3cccc(Cl)c3Cl)C(C)=C(C#N)C2=O)cc1OC 2314579399 RQZQFFMPHAJICK-UHFFFAOYSA-N 486.355 4.758 50 10 JJGE COCCCN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)cc2)C(C)=C(C#N)C1=O 2314618045 GFYYPZVHWZZEPZ-UHFFFAOYSA-N 450.922 4.548 50 10 JJGE FC1(F)C[C@@]1(CBr)COCc1ccc(I)c(Br)c1 2326819723 KNIIPJVVCYKRRS-LLVKDONJSA-N 495.927 4.991 50 10 JJGE C[C@@H](Br)[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1I 2340058539 RLDQXNUIFBWDMP-NOZJJQNGSA-N 456.549 4.723 50 10 JJGE CCN(C(=O)c1ccc(Cl)cc1I)[C@H]1CCC[C@H]1Br 2340058675 PUQLRVOHZSWEMW-YPMHNXCESA-N 456.549 4.723 50 10 JJGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1ccc(Cl)cc1I 2365590408 GOASWXLUUSYBCI-AAEUAGOBSA-N 470.576 4.969 50 10 JJGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc3c1C(=O)c1ccccc1C3=O)[C@H](Br)C2=O 35552084 RGNYQLAXMSPGSD-ZPZUNKDASA-N 480.358 4.559 50 10 JJGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(SC)cc1 38682176 FRNDUDIGWWEZON-RUZDIDTESA-N 474.538 4.620 50 10 JJGE CC(C)CN(CC(C)C)c1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40613946 QZTXFCNBSDLKCJ-UHFFFAOYSA-N 455.346 4.567 50 10 JJGE O=C(NNc1ncnc(N(Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-])c1ccccc1Cl 40658306 PSTGPEUAKAOJFL-UHFFFAOYSA-N 475.896 4.528 50 10 JJGE C=CCOc1c(Cl)cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OCC 58894939 PLNFTXXEPKWALU-SZJFIWSWSA-N 460.958 4.666 50 10 JJGE COc1cc(Br)c(OC[C@@H](Br)C(F)(F)F)cc1Br 118642168 LUAPAWMPYUVLKX-SECBINFHSA-N 456.878 4.925 50 10 JJGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1OCC 206693089 MOQUMXINGPNWQO-XHMSLRDHSA-N 486.524 4.919 50 10 JJGE O=C(NC[C@H]1CCCC[C@H]1CBr)c1ccc(I)c(Cl)c1 232349482 BWVQICPAKPHBPF-NWDGAFQWSA-N 470.576 4.876 50 10 JJGE CC(C)(C)S(=O)(=O)CCOc1c(Br)cc(CBr)cc1Br 232635877 PSGMGFRPRYDLHE-UHFFFAOYSA-N 493.055 4.699 50 10 JJGE O=C(CON=Cc1ccc(Cl)cc1Cl)NNC(=S)Nc1cc(Cl)ccc1Cl 254498142 LYZIGWMBPRMZJV-UHFFFAOYSA-N 466.177 4.669 50 10 JJGE CC(C)c1ccc(C=c2sc3n(c2=O)C=C(C#N)[C@H](c2ccc(C(C)C)cc2)C=3C#N)cc1 254833474 RCMMVDZZXZUZHE-SANMLTNESA-N 451.595 4.822 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)NC[C@H](Br)C(C)(C)C)cc1Br 324310383 ZAIOSFWRUIOKFM-LBPRGKRZSA-N 492.071 4.608 50 10 JJGE CN(C(=O)c1cc(Br)ccc1I)[C@H](CCl)C(C)(C)C 689248588 TTXIECHMXRADJH-GFCCVEGCSA-N 458.565 4.779 50 10 JJGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCCS2(=O)=O)cc1Br 694615119 MNULOTHPLLQZIA-RYUDHWBXSA-N 461.013 4.533 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccnn2C2CCCC2)c(C)n1-c1ccccc1F 755529473 CTHDGGQOBYEOBY-ZHZULCJRSA-N 475.524 4.634 50 10 JJGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1cc(Cl)ccc1O 1084244208 RMLGLKCUUGQGAR-UHFFFAOYSA-N 450.929 4.586 50 10 JJGE C#Cc1cccc(NC(=S)NNC(=O)[C@H](Oc2ccc(F)cc2Cl)c2ccccc2)c1 1594436456 APWGXMSKMLOBLV-OAQYLSRUSA-N 453.926 4.598 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)ccc1O 1865681751 VVZRBGZFKDRERU-QGZVFWFLSA-N 476.842 4.867 50 10 JJGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696236 KXTRECVXYSXPSA-HXUWFJFHSA-N 465.351 4.820 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1OC 1865706928 IZBRTLHBSOCIOD-FQEVSTJZSA-N 484.478 4.802 50 10 JJGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(C(=O)O)cc2)cc1 1865709281 SWECCDGLEQZBDX-QHCPKHFHSA-N 462.509 4.823 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC2CCC(F)(F)CC2)C1 1995725225 YGSXFRMBYHSKHF-INIZCTEOSA-N 459.315 4.786 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1[C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C 2061268064 NQKOFSBKEPNOAY-KURKYZTESA-N 489.748 4.906 50 10 JJGE Brc1cc(I)cnc1N1CC[C@@H]2C[C@@H](Br)CC[C@H]21 2069531550 JWJMWVWOQUZNEX-VDDIYKPWSA-N 485.989 4.591 50 10 JJGE CCc1ccc(O)c(-n2nc(CBr)c(I)c2C(F)(F)F)c1 2079260814 OZKRXCXQBRMYMI-UHFFFAOYSA-N 475.046 4.659 50 10 JJGE CCCc1nc(Br)c(Br)n1CC1(CBr)CCOCC1 2087648901 IYMINEYQXHJBAH-UHFFFAOYSA-N 459.020 4.552 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H]2C[C@@H](Cl)CC[C@@H]21 2143976754 UCKYCVGQKIWMBF-PUYPPJJSSA-N 468.560 4.676 50 10 JJGE O=S(=O)(c1cc(CCl)sc1Br)N1CCN(Cc2ccccc2)C2(CCC2)C1 2153345769 FHFQIQKENSSREG-UHFFFAOYSA-N 489.888 4.679 50 10 JJGE O=S(=O)(c1c(CBr)sc2ccccc12)N(Cc1ccccc1)[C@@H]1CCOC1 2179828615 SAOSEYWXFQLIPV-MRXNPFEDSA-N 466.422 4.776 50 10 JJGE BrC[C@H]1CCc2nc(-c3ncc(Br)cc3Br)ncc2C1 2187361774 UFDSVWHGAKSVNX-QMMMGPOBSA-N 461.983 4.563 50 10 JJGE FC1(F)CC(CCl)(CNc2ncc(I)cc2Br)C1 2255497291 YYKXJEFMYIHSDE-UHFFFAOYSA-N 451.480 4.515 50 10 JJGE C[C@]1(CCBr)CCN(C(=O)c2ccc(Cl)c(I)c2)C1 2268348287 NVWRVSWVMCQBHU-AWEZNQCLSA-N 456.549 4.582 50 10 JJGE Cc1cc(Br)c([C@H](Br)C2CC(S(C)(=O)=O)C2)cc1Br 2269873551 ITLFDFYPUAEIAA-KJHLLKJSSA-N 475.040 4.779 50 10 JJGE CCCc1cc(C(=O)OC)c(NC(=O)C(C#N)=Cc2cc(OC)c(OC)cc2Br)s1 2295669991 VIDGXPVMKBHWOY-UHFFFAOYSA-N 493.379 4.813 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)C(C#N)=C2C)c(C)c1 2314617712 VSUYCZOHXFKRKF-UHFFFAOYSA-N 466.541 4.859 50 10 JJGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)c2cc(OCC)c(OCC)c(OCC)c2)c1 2314753248 PNWAMXBOTRNBCT-UHFFFAOYSA-N 453.491 4.572 50 10 JJGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)cc1OC 2320506309 GXDHTSPFLXHJOD-UHFFFAOYSA-N 496.519 4.750 50 10 JJGE CCOc1cc(C=NNC(=O)c2ccncc2)ccc1OCc1ccc(Br)cc1 2323302929 ODDLNUXDNRRUBE-UHFFFAOYSA-N 454.324 4.586 50 10 JJGE COc1ccc([C@@H](C)NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2324599290 OQRSLCYWPCWAKU-HSZRJFAPSA-N 480.612 4.687 50 10 JJGE CCOc1ccc(CCNC=C(C#N)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1OCC 2325118237 NFMYFSSDZRSYQH-HXUWFJFHSA-N 461.606 4.780 50 10 JJGE Cc1cc(I)ccc1NC(=O)C(C#N)=CN1CCC(Cc2ccccc2)CC1 2325405950 YAZGLEQLIMTIQA-UHFFFAOYSA-N 485.369 4.900 50 10 JJGE CC(C)(CI)CN1C[C@H](CNC(=O)OC(C)(C)C)C[C@H](C(C)(C)C)C1 2326670822 YKKJZDJWHCNGGK-HOTGVXAUSA-N 466.448 4.957 50 10 JJGE N#CC(=Cc1ccc(Br)cc1)C(=O)NCCc1cccc(Br)c1F 2329660019 PTPNWFJRFCHOLR-UHFFFAOYSA-N 452.121 4.617 50 10 JJGE Clc1ccc(CN2C[C@@H]3CCC[C@@]3(CBr)C2)cc1I 2337225461 MBUZPHJEXAWVIJ-SWLSCSKDSA-N 454.577 4.942 50 10 JJGE C[C@@H]1[C@H](Br)CCN(C(=O)c2cc(Cl)ccc2I)[C@@H]1C 2344521056 RJPHJQQHVIAZJG-YGOYTEALSA-N 456.549 4.579 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CC[C@]2(CCC[C@H]2Br)C1 2365593531 USQHYMMSJQBHEU-UKRRQHHQSA-N 468.560 4.724 50 10 JJGE CC(C)c1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c(Br)c1 14665916 FNOWTWVDYFRCPY-INIZCTEOSA-N 491.426 4.864 50 10 JJGE Cc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3)nc3c(C)cccn3c2=O)c1 39992901 DJAGEYCJXMCPAR-HMMYKYKNSA-N 450.498 4.958 50 10 JJGE O=C(NNc1ncnc(Oc2ccc(Br)cc2)c1[N+](=O)[O-])c1cccc2ccccc12 40658774 GJQGZZDGCMMUHD-UHFFFAOYSA-N 480.278 4.850 50 10 JJGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccncc2)CCC3)cc1 40813995 UVNPRAILYLMIBK-XHLNEMQHSA-N 460.534 4.885 50 10 JJGE CC(=O)N1c2ccc(Br)cc2[C@@](C)(Br)[C@@H](Br)C1(C)C 59500809 KMIRVZDNLKTFKA-GXTWGEPZSA-N 454.000 4.968 50 10 JJGE COc1cc(Br)c(Oc2ncc(CBr)cn2)cc1Br 218338202 XEWHRTIBKGZRMM-UHFFFAOYSA-N 452.928 4.697 50 10 JJGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C[C@@H]2CC=C(C)C[C@H]2C)c(OC)c1 254485355 RMJITTRYQPRBOH-XLPQNMNZSA-N 461.562 4.569 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CCC[C@@H](CBr)CC1 378799176 TZVDGLFAMFJCAO-SNVBAGLBSA-N 454.000 4.849 50 10 JJGE C[C@H](Br)[C@@H]1CCCCN1c1ncc(C(F)(F)F)cc1I 686107692 XVJIDCCSKOHSRD-KWQFWETISA-N 463.079 4.847 50 10 JJGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(Br)cc(Br)c1 686180224 SIORSSZWRWUHMA-OKVQYTGBSA-N 466.011 4.988 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)OCc2ccc(Cl)nc2)c(-c2ccc(Cl)cc2)n1 889335410 FRXZKHDBAGZCNC-LICLKQGHSA-N 452.301 4.816 50 10 JJGE C=CCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1 1467432919 XAOWQRXVJLZGES-UHFFFAOYSA-N 453.502 4.571 50 10 JJGE CCOc1ccc(C=NNC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1OC 1772754187 DMSMDZIBDLYWPE-UHFFFAOYSA-N 463.372 4.817 50 10 JJGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1873792810 NHOQZHNRJRZTIE-WMPMWDHYSA-N 459.974 4.918 50 10 JJGE Cc1csc(C(=O)N[C@H](CCBr)COCc2ccccc2)c1Br 1902796478 MVUMPBKSFLPBFG-CQSZACIVSA-N 461.219 4.919 50 10 JJGE O=C(NCC[C@@H]1CCC[C@H]1Br)c1ccc(Br)cc1Br 1913719959 AKDVKAZJCOBAEY-JOYOIKCWSA-N 454.000 4.895 50 10 JJGE Cc1cc(Br)sc1[C@@H](Br)c1cnn(C)c1I 1939454994 ZWNRCIIASAPZJN-QMMMGPOBSA-N 475.975 4.641 50 10 JJGE Clc1ncn(CC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c1CBr 1957360751 HGZCHEJFFPOSCL-UHFFFAOYSA-N 460.803 4.903 50 10 JJGE C[C@@H]1CN(C(=O)c2csc(Br)c2Br)C[C@]1(C)CBr 2032955634 BZUQODHHVUPIIG-KRTXAFLBSA-N 460.029 4.766 50 10 JJGE O=C(c1csc(Br)c1Br)N1[C@H]2CC[C@H]1[C@H](CBr)C2 2039482930 NRHKHOGVYVHRTG-ZKWXMUAHSA-N 458.013 4.661 50 10 JJGE CC[C@H](Br)[C@@H](CC)NC(=O)c1ccc(Br)cc1I 2086150449 BHICYCFKBPMJPC-CMPLNLGQSA-N 488.989 4.736 50 10 JJGE Cc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2CCBr)c1I 2146717996 FPDDCKGSLYUDFV-TZMCWYRMSA-N 450.158 4.673 50 10 JJGE C[C@@H]1CN(c2ncc(C(F)(F)F)cc2I)CC[C@H]1CBr 2165344543 PFFWVPIMVAJKBP-BDAKNGLRSA-N 463.079 4.562 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CC2(CCC2)C[C@@H]1CCl 2207265743 VQOHQDZXWGUJTR-LLVKDONJSA-N 468.560 4.677 50 10 JJGE C[C@]1(CBr)C=CCCN1C(=O)c1ccc(Br)cc1Br 2264397824 CAKGKTOQXBQZOW-CQSZACIVSA-N 451.984 4.767 50 10 JJGE N#CC(=Cc1cn(Cc2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 2297382495 KUJAJIDUKMETMA-UHFFFAOYSA-N 462.509 4.915 50 10 JJGE CCO[C@H]1[C@@H](OCc2ccc(I)c(Br)c2)C[C@H]1Br 2325365872 OUTVYIJNFJPYAN-KGYLQXTDSA-N 489.973 4.511 50 10 JJGE CC(C)(C)[C@@H](CCBr)NC(=O)c1ccc(Cl)cc1I 2340059023 UPNAMLDIIWBKCT-GFCCVEGCSA-N 458.565 4.874 50 10 JJGE CC(C)[C@H]1C[C@@H](Cl)CN1C(=O)c1ccc(I)c(Br)c1 2344750690 ZFHNGJHWTBCKPD-ZWNOBZJWSA-N 456.549 4.532 50 10 JJGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2CCCS2(=O)=O)c1Br 2365238316 XNQFPFOANAHPDE-KOLCDFICSA-N 491.039 4.542 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1ccc(Cl)cc1I 2365588771 NRZHUJOAKSFQIT-GTUGTTAGSA-N 468.560 4.627 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)c(Br)c1 12403430 ZHOAWJSKBZGSCM-LSHDLFTRSA-N 468.735 4.837 50 10 JJGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccc(OC(C)C)c(Br)c1 14658719 VTZKIPIYXXQGRT-HNNXBMFYSA-N 463.372 4.590 50 10 JJGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 38654118 HXIVBESTFRBGSZ-AREMUKBSSA-N 485.496 4.921 50 10 JJGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12)NNC(=O)c1ccncc1 39867635 QRWFUGIISXRKRZ-UHFFFAOYSA-N 467.504 4.701 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-])c1ccccc1F 40658214 RKIKLPDHBFXSFV-UHFFFAOYSA-N 470.770 4.697 50 10 JJGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(C)cc2)CCC3)cc1 40804666 QCSWMGXCLWQSSY-XHLNEMQHSA-N 473.529 4.796 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(F)cc1 59292056 YNDOJSZDNDWZHL-NHDPSOOVSA-N 474.488 4.755 50 10 JJGE O=c1[nH]c2cc(Br)c([C@@H](Cl)c3cccc(I)c3)cc2[nH]1 109883960 IXRNUEWTQHPTPS-ZDUSSCGKSA-N 463.500 4.552 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)c1OC 141060044 DQBGNCMYMNTJDJ-QFIPXVFZSA-N 450.498 4.775 50 10 JJGE COC(=O)c1ccc(Cl)c(-c2ccc(C=NNC(=O)c3cccc(Br)c3)o2)c1 252618665 LJOQDLZOMDWAMF-UHFFFAOYSA-N 461.699 4.913 50 10 JJGE CCCC(C)(COC(=O)N(CCCl)CCCl)COC(=O)N(CCCl)CCCl 584600846 FTPHCTZAXPSPQL-UHFFFAOYSA-N 468.249 4.625 50 10 JJGE COCc1cc(Br)c([C@H](Br)c2nn(C)cc2Br)s1 688090521 FPMVKZLRZCOTGI-SECBINFHSA-N 459.001 4.637 50 10 JJGE COc1cc(C)c(Br)cc1[C@H](Br)c1nn(C)cc1Br 693122454 NXOIOVUJLNOZPB-LBPRGKRZSA-N 452.972 4.746 50 10 JJGE COc1cc(C=NNC(=O)c2ccccc2O)cc(Br)c1OCc1ccccc1 1083994820 ORWIDIPFWPRJNW-UHFFFAOYSA-N 455.308 4.506 50 10 JJGE N#C/C(=C/c1ccccc1I)C(=O)Nc1sc2c(c1C#N)CCCC2 1084389992 OFAUTYRRZMQPHS-LCYFTJDESA-N 459.312 4.649 50 10 JJGE C/C(=C\c1c(Cl)cccc1Cl)C(=O)NNC(=O)CCCCCNC(=O)OC(C)(C)C 1629551687 VKBRLGWLUZUQJI-BUHFOSPRSA-N 458.386 4.629 50 10 JJGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)N4CCCc5ccccc54)c(C)c32)cc1 1772746535 WHBWEMXBVQFXSE-UHFFFAOYSA-N 457.530 4.660 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)c1O 1865683229 AVYUEMZMMPMZGF-QFIPXVFZSA-N 450.498 4.780 50 10 JJGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696484 NUZAZRMVKCEGOO-FQEVSTJZSA-N 481.350 4.520 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)c1OC 1865700818 FAWWGSHJCZOWGW-HSZRJFAPSA-N 482.515 4.973 50 10 JJGE Cc1c(Br)sc([C@H](Br)C2CCS(=O)(=O)CC2)c1Br 1922930981 YCHZTSYIRAOOLI-SECBINFHSA-N 481.069 4.842 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2cscc2F)C1 1993542170 PCKLCBTXLWUUSR-INIZCTEOSA-N 455.333 4.609 50 10 JJGE Cn1nc([C@H](Br)c2c(Br)cc(F)c(F)c2F)cc1Br 2094079975 KOIXXQQGAVSAKU-VIFPVBQESA-N 462.889 4.847 50 10 JJGE C[C@H]1C[C@@H](CBr)CN(C(=O)c2c(Br)cccc2Br)C1 2094092767 JGOYZVUKPFAZOQ-UWVGGRQHSA-N 454.000 4.705 50 10 JJGE CC1CC(CBr)(CNC(=O)c2cc(Br)ccc2Br)C1 2128733224 WSPBQQHHWLPVJE-UHFFFAOYSA-N 454.000 4.753 50 10 JJGE CC1(C)[C@@H](CCl)CCN1C(=O)c1ccc(Br)cc1I 2142283561 RJDMUCJWVYMWNE-SECBINFHSA-N 456.549 4.533 50 10 JJGE O=C(OCc1ccccc1)N1CC2(CC=CCN2C[C@@H](CBr)c2ccccc2)C1 2142787148 QBXBNSOOZKWEAO-JOCHJYFZSA-N 455.396 4.818 50 10 JJGE C[C@@H]1C[C@@H](Br)CCN(c2ncc(C(F)(F)F)cc2I)C1 2159541328 LDWYVTJQLIGXSD-SCZZXKLOSA-N 463.079 4.705 50 10 JJGE O=C(NCC[C@@H]1CCCC[C@@H]1Cl)c1cc(I)ccc1Br 2179636006 FSCGDANGFJPHMQ-HZMBPMFUSA-N 470.576 4.971 50 10 JJGE CN([C@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1F 2179861842 NGPFYNMQSXZDDD-IRXDYDNUSA-N 476.795 4.742 50 10 JJGE Oc1nc(-c2ncc(Br)cc2Br)nc(C2CC2)c1CBr 2187329573 SRCBFQQONUFKKA-UHFFFAOYSA-N 463.955 4.542 50 10 JJGE O=C(c1cccc(Br)c1Br)N1[C@H]2CC[C@H](Br)[C@H]1CC2 2229861769 BIDIMRJZAKQWAT-PTOFAABTSA-N 451.984 4.742 50 10 JJGE C[C@@H](Br)CN(C(=O)c1ccc(Cl)c(I)c1)C1CCC1 2272453715 QQZDIGRHJUGDID-SECBINFHSA-N 456.549 4.723 50 10 JJGE O=C(N[C@]1(CBr)C[C@H]2CC[C@H]1C2)c1ccc(Br)cc1Br 2283932630 JTTJPKHDRUKCJG-YHAQOWFVSA-N 466.011 4.895 50 10 JJGE COC(=O)c1ccsc1NC(=O)C(C#N)=Cc1cccc(OC)c1OCc1ccccc1C 2295669997 WLTWRHAWVJXFHR-UHFFFAOYSA-N 462.527 4.976 50 10 JJGE CC1(C)CN(Cc2ccc(I)c(Br)c2)[C@@H]1CBr 2306221096 CZEJTEOVASPHBO-GFCCVEGCSA-N 472.990 4.659 50 10 JJGE CCCO[C@H]1[C@@H](Oc2cc(Br)cc(I)c2)C[C@H]1Br 2316756874 IHLZUZFQWJGUKI-FRRDWIJNSA-N 489.973 4.764 50 10 JJGE COCc1ccc(CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)s1 2319547347 AVJVWKBEUJOJBI-SFHVURJKSA-N 481.396 4.616 50 10 JJGE CCOc1ccc(C=NNC(=O)CSc2nc(O)c3c(-c4ccccc4)csc3n2)cc1OC 2320486394 HLNXUIWULRAABE-UHFFFAOYSA-N 494.598 4.714 50 10 JJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2cc(Br)sc2Br)[C@H]1C 2321284637 HITCQJRGNVDOEJ-ZKWXMUAHSA-N 460.029 4.907 50 10 JJGE CCCCCCOc1ccc(C=NNC(=O)c2cc(-c3cccs3)nc(O)n2)cc1OC 2323701304 BOIFXHAHJQBRLQ-UHFFFAOYSA-N 454.552 4.642 50 10 JJGE COc1cc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1ccc(Cl)c(Cl)c1 2328818697 OIXKFWVEEWTSMZ-AWEZNQCLSA-N 496.391 4.944 50 10 JJGE CCCO[C@H]1[C@@H](Oc2cc(Cl)c(C)cc2I)C[C@H]1Br 2336557291 WTVCJBNMSATQOO-BIGNPOOSSA-N 459.549 4.963 50 10 JJGE CN[C@@H](c1c(C)cc(Br)c(OC)c1Br)[C@H]1C[C@H](Br)C1 2339682345 RLUKRMJZBMHJCO-JRKPZEMJSA-N 456.016 4.963 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1[C@H](CBr)CCC12CCC2 2365595912 OZLSOSVWZVGSFD-NSHDSACASA-N 468.560 4.867 50 10 JJGE CC1CC(CBr)(CN2C[C@H]3CC(F)(F)CC[C@@]3(NC(=O)OC(C)(C)C)C2)C1 2370173993 CYPOGKBTLNPDMH-DGSXUWPCSA-N 451.396 4.812 50 10 JJGE CC(C)COc1ccc(C(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 14025052 KWFPNQYXMYHKNA-UHFFFAOYSA-N 498.432 4.523 50 10 JJGE O=C(NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 14041864 RKOICIWUXLRHOC-UHFFFAOYSA-N 495.604 4.924 50 10 JJGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 14644164 DZPINKZJALUDFN-ZIAGYGMSSA-N 483.790 4.610 50 10 JJGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1cc(Br)ccc1OCCC(C)C 14650720 CNHTXUMHRPTMOF-UHFFFAOYSA-N 483.790 4.676 50 10 JJGE COc1ccc(/C=N/NC(=O)c2ccc3c(c2)CN(c2ccc(Br)cc2)C3)cc1 33347741 OAYBQXDQEKKELX-DHRITJCHSA-N 450.336 4.742 50 10 JJGE COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OC)c2OCc2ccccc2)c([N+](=O)[O-])c1 33594441 JDGZECQQPWOCLW-UYRXBGFRSA-N 459.458 4.737 50 10 JJGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)C1=O 38606280 UVYWKISOOSJFDD-PCLIKHOPSA-N 480.568 4.785 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1 38685712 XINIDRWOWGKKJP-SANMLTNESA-N 456.498 4.596 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)ccc1C(C)C 40877585 NVSGAAGYKUFPCS-FYJGNVAPSA-N 488.540 4.928 50 10 JJGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)CCCOc2ccc(C)cc2Br)c1 40944707 QJKPJPONMADYDK-QGOAFFKASA-N 472.335 4.992 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)cc1 58894649 JJSJVWZIZKDURT-IDEIYSCTSA-N 470.909 4.661 50 10 JJGE COc1ccc(C(=O)N/N=C2\C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1OC 59152048 WJEVTJYWWLFFTF-QYQHSDTDSA-N 484.339 4.692 50 10 JJGE O=S1(=O)CCCC[C@H]1[C@H](Br)c1cc(Br)ccc1Br 169021609 NPAAVXADTLGDOA-NWDGAFQWSA-N 461.013 4.615 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)c(C)c1 214204202 VSUYCZOHXFKRKF-IWIPYMOSSA-N 466.541 4.859 50 10 JJGE COc1cc(C=NNC(=O)c2cccc(Cl)c2)cc(Cl)c1OS(=O)(=O)c1ccccc1 252594578 BTRASXCLGCULJR-UHFFFAOYSA-N 479.341 4.534 50 10 JJGE CC(=NNC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccc(Br)cc1 253481927 JPJSITIZJWZPRH-UHFFFAOYSA-N 454.299 4.995 50 10 JJGE CCCCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 254484505 DDIHWCSSYJEUJO-UHFFFAOYSA-N 476.529 4.866 50 10 JJGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=C/C=C\c1ccco1 254697056 JSQKDJUYJMRPCT-WLVDRWNASA-N 490.610 4.827 50 10 JJGE FC(F)(F)Oc1cc(Br)c(CBr)c(I)c1 575695389 MPVAUOPVSBJTIL-UHFFFAOYSA-N 459.825 4.847 50 10 JJGE COc1cc(C)c(Br)cc1[C@H](Br)c1c(Br)cnn1C 693070916 OHJHJZWBHGAJMR-LBPRGKRZSA-N 452.972 4.746 50 10 JJGE CC(=NNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 1084418938 IFGCXGPRTLSHAI-UHFFFAOYSA-N 476.385 4.729 50 10 JJGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)n1 1772746486 WDUZKUAKPBGMMW-UHFFFAOYSA-N 481.350 4.777 50 10 JJGE COc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccc(C)cc1 1772760401 JFCBFFNDXHGZFD-UHFFFAOYSA-N 460.559 4.701 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)ccc1O 1865681008 CKEIJMIFKBNDOA-JOCHJYFZSA-N 460.534 4.537 50 10 JJGE Cc1ccc(O)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)c1 1865687243 MXUDDYYBNNQGQY-QHCPKHFHSA-N 452.489 4.970 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1ccccc1[N+](=O)[O-] 1865710162 PYWHIDVTALZMMW-INIZCTEOSA-N 475.814 4.730 50 10 JJGE Cc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)c(C(C)(C)C)c1 1865756878 BINJIHAXOVRBLB-UHFFFAOYSA-N 467.516 4.781 50 10 JJGE COc1cc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccccc3)n2)c(OC)cc1Cl 1872756531 NZYDWDNPWWMXNA-SDXDJHTJSA-N 455.923 4.703 50 10 JJGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(I)sn1 1884459965 QIRSDOSPSFOSBX-LBPRGKRZSA-N 479.181 4.564 50 10 JJGE O=C(NOCCCNC(=O)[C@@H](Cl)c1ccccc1)OCC1c2ccccc2-c2ccccc21 1977668413 LLPVVMBVSLPDEC-DEOSSOPVSA-N 464.949 4.943 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CBr)OCc1cc(F)ccc1Br 1994982415 XSAPHABRXWVTHP-INIZCTEOSA-N 455.162 4.783 50 10 JJGE CCN(C[C@](C)(CI)O[C@H]1CCOC2(CCC2)C1)C(=O)OC(C)(C)C 2076741006 LXGMSIBUNSCQSZ-YJBOKZPZSA-N 467.388 4.555 50 10 JJGE CC1(C)C[C@@](C)(CBr)CN1c1ncc(I)cc1Br 2078812992 YJVGYRATVDTMSH-ZDUSSCGKSA-N 488.005 4.839 50 10 JJGE O=S(=O)(c1ccc(CCl)c(Br)c1)N(Cc1ccccc1)C[C@@H]1CCCO1 2095879347 LVWRNAXDGGMQEY-KRWDZBQOSA-N 458.805 4.558 50 10 JJGE CN([C@@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CBr)s1 2123242922 CIONMHMWEJSQJJ-AEFFLSMTSA-N 458.443 4.647 50 10 JJGE CC(C)n1cc(S(=O)(=O)N(Cc2ccccc2)CC(F)(F)F)cc1CBr 2123270898 OWABYDAOTJCMEJ-UHFFFAOYSA-N 453.324 4.717 50 10 JJGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CCCS2(=O)=O)c1Br 2136368542 XPILQTCALWYHCK-GWCFXTLKSA-N 475.040 4.842 50 10 JJGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CCl)c1 2152214146 APDRVDTWPYHVHF-UHFFFAOYSA-N 473.864 4.721 50 10 JJGE CC(C)[C@H](Br)[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2159243709 HNTRIMPYLGWUOI-HQJQHLMTSA-N 468.038 4.842 50 10 JJGE CC(C)(CC(CBr)(CBr)c1cccc(Br)c1)S(C)(=O)=O 2167895456 PTFXERUOYLKDHW-UHFFFAOYSA-N 491.083 4.690 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CC[C@@H](Cl)CC12CCC2 2169889014 QUDRTKGOEOIVEZ-LLVKDONJSA-N 468.560 4.820 50 10 JJGE C[C@@]1(CC(CBr)(CBr)c2ccc(Br)cc2)COCCO1 2174170283 BXSRQYAJRANNGC-CQSZACIVSA-N 471.027 4.672 50 10 JJGE C[C@H]1COc2ccc([C@@H](Br)c3cc(I)sn3)cc2OC1 2176537427 IDKOCLQNIBAJDO-RMLUDKJBSA-N 466.138 4.639 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Br)C2 2190680615 XGIUGEIBIOOSQO-ZBPZKIAKSA-N 469.974 4.690 50 10 JJGE CN(c1ncc(C(F)(F)F)cc1I)[C@H](CBr)CC1CC1 2234557611 CDSCMAMHVSYCME-JTQLQIEISA-N 463.079 4.705 50 10 JJGE Cc1ccc(I)c(C(=O)N2C[C@@](C)(CBr)CC2(C)C)c1 2240924077 SPDACBYXIRVQJE-MRXNPFEDSA-N 450.158 4.625 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@@H](CBr)C12CCC2 2283662923 SKDULONNPDRDAK-NSHDSACASA-N 468.560 4.724 50 10 JJGE C=CC[C@@]1(CBr)CCN(C(=O)c2ccc(I)c(Cl)c2)C1 2287748483 RRLFBVSZZIVKBM-HNNXBMFYSA-N 468.560 4.748 50 10 JJGE O=S(=O)(N[C@H](CCCl)COCc1ccccc1)c1ccc(Cl)c(Br)c1 2320661189 DYEGMNNCUKOMFI-CQSZACIVSA-N 467.212 4.595 50 10 JJGE CCCOc1ccccc1C=CC(=O)NNC(=O)c1ccc(-c2ccc(F)c(F)c2)nc1C 2321073260 KDBBLQHALBUTKI-UHFFFAOYSA-N 451.473 4.598 50 10 JJGE COc1cc(C=NNC(=O)Cc2ccc(O)cc2)ccc1OCc1ccc(Cl)cc1Cl 2323341081 UNPJBLBGZQHLPB-UHFFFAOYSA-N 459.329 4.979 50 10 JJGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1 2328799258 XREKBNFWTVVDNT-NRFANRHFSA-N 459.974 4.918 50 10 JJGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)CN2C(=O)c3ccccc3C2=O)n1 2331391822 JPNZJWHGUYBYCA-UHFFFAOYSA-N 465.918 4.869 50 10 JJGE Clc1ccc(CN2C[C@@H]3CC[C@H](Br)C[C@H]3C2)cc1I 2337224015 UDWQGIPJTJDFLV-AVGNSLFASA-N 454.577 4.940 50 10 JJGE COc1cc(Cl)c(CBr)c(-n2ccnc2CCCN2C(=O)c3ccccc3C2=O)c1 2365775500 DCHMERZENNKGAG-UHFFFAOYSA-N 488.769 4.658 50 10 JJGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)CCC(=O)Nc1ccc(C)c(C)c1 10683450 GXPVQCUUFZWREH-JTSKRJEESA-N 453.583 4.541 50 10 JJGE CCOC(=O)C1=C(C)N=C2SCCCN2[C@@H]1c1ccc(NC(=O)C(C)(C)CCl)cc1 16613691 LGMXTKKDKLGZJR-GOSISDBHSA-N 450.004 4.577 50 10 JJGE Cc1ccc(NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3Br)cc2)cc1 23550114 BOMFUELRCSFNFG-UHFFFAOYSA-N 466.335 4.539 50 10 JJGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1 27520878 SVWVVZQTAPNYBJ-USLDOAAOSA-N 468.340 4.923 50 10 JJGE CC(=O)Nc1sc(/C(C#N)=C\c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)nc1-c1ccccc1 34983040 WMIAYBXEBOTCCI-AQTBWJFISA-N 490.566 4.740 50 10 JJGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cc(C)cc(C)c3)ccc21 38650055 ZMCXRQVCOKNGKJ-AREMUKBSSA-N 456.498 4.515 50 10 JJGE O=C(NNc1ncnc(Nc2ccccc2Br)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40648279 KBXZNXWUDHMCGQ-UHFFFAOYSA-N 498.124 4.955 50 10 JJGE C/C(=N/NC(=O)CCN1CCN(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1Cl 59347669 UHYZLWQLFTVCQE-MYYYXRDXSA-N 453.801 4.699 50 10 JJGE C[C@H]1CCC[C@](CCl)(NC(=O)c2cc(Br)ccc2I)C1 235631235 ADRLXQAFZRHZNB-BONVTDFDSA-N 470.576 4.971 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(O)cc3)cc2OCC)cc1 254870526 UEWRNBGRQGPEMG-UHFFFAOYSA-N 462.502 4.563 50 10 JJGE Brc1cnc([C@@H]2CCC[C@H](CI)O2)c(Br)c1 309476832 VELWWXRYKGPXOR-SCZZXKLOSA-N 460.935 4.652 50 10 JJGE ClCc1nc2cc(I)ccc2n1C[C@@H]1CN(Cc2ccccc2)CCCO1 390471330 BNVOGSMRTJRSAM-SFHVURJKSA-N 495.792 4.671 50 10 JJGE BrCc1cc(Br)c(OCCOC[C@H]2CCCO2)c(Br)c1 693117374 SCHWUTNNYISQNU-LLVKDONJSA-N 472.999 4.681 50 10 JJGE CCOc1ccc([C@H](Br)c2nn(C)cc2Br)c(Br)c1 693123471 UBCISKZOOYQCBG-LBPRGKRZSA-N 452.972 4.828 50 10 JJGE CCC(CC)(CCl)CNC(=O)c1ccc(I)c(Br)c1 721620930 PMHAKGSIKQJZLJ-UHFFFAOYSA-N 458.565 4.829 50 10 JJGE O=C(NN=Cc1c(O)ccc2ccccc12)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 1084365333 WADJDGYZJIPKMA-UHFFFAOYSA-N 478.596 4.627 50 10 JJGE CC(=O)N[C@H](C(=O)NNc1ccccc1Oc1ccccc1)c1cccc(Br)c1 1300356354 HITDOKFHHIRFIL-NRFANRHFSA-N 454.324 4.562 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccccc2OC(F)(F)F)C1 1614622255 KHLXGTFWTKPADK-WCQYABFASA-N 471.257 4.971 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2)ccc1OCc1ccccc1C 1772754362 RQZVQPCHWPJPRS-UHFFFAOYSA-N 483.362 4.874 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)ccc1O 1865681552 QIBNDEHFKOQRRO-KRWDZBQOSA-N 476.842 4.867 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865698466 UTFVNTAFDJCKNT-RUZDIDTESA-N 492.535 4.596 50 10 JJGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865706713 DAVHIQIIGBQGET-HXUWFJFHSA-N 468.916 4.609 50 10 JJGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN([C@@H](C)c3cccs3)CC2)n1 1868253483 IWEPPRHRBAAKHA-SFHVURJKSA-N 480.663 4.927 50 10 JJGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3cccc(OC)c3OCc3ccccc3F)nc2c1 1872728472 DMTFRLVKABGHFM-XDHOZWIPSA-N 485.471 4.913 50 10 JJGE BrC[C@@H](COc1cc(Br)cc(I)c1)C1CC1 1900984937 GCGPJPXZSPWINH-VIFPVBQESA-N 459.947 4.854 50 10 JJGE O=C(N[C@H](CCBr)C(F)(F)F)c1cc(Br)ccc1Br 1918554549 UHPHSCAZSQDIQW-SECBINFHSA-N 467.905 4.657 50 10 JJGE CC(C)[C@@H]1C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)CN1Cc1ccccc1 1985347433 RYJKFKXGSHTGRM-RTWAWAEBSA-N 453.718 4.781 50 10 JJGE CC(C)[C@H](Br)[C@@H](C)NC(=O)c1cc(Br)ccc1I 2041306761 HGPYBCVPNVNTDC-PELKAZGASA-N 488.989 4.592 50 10 JJGE C[C@@]12CN(C(=O)c3scc(Br)c3Br)C[C@@]1(CBr)C2 2046807445 QBDOUGGQFCMKEJ-NEPJUHHUSA-N 458.013 4.520 50 10 JJGE CC[C@@H](C)[C@@H](CI)NC(=O)c1cccc(Br)c1Br 2081244920 ATAWZUDFBAGCEO-LDYMZIIASA-N 488.989 4.791 50 10 JJGE BrCc1cc(Br)c(OCOC[C@H]2CCCO2)c(Br)c1 2092616324 NESWJNKAJAPFRY-SNVBAGLBSA-N 458.972 4.638 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NC[C@H](CBr)C(C)(C)C)C1(C)C 2106788412 PKKSACBCBPNMSL-USBFQFRLSA-N 453.487 4.835 50 10 JJGE C[C@H](CCCCCCl)NC(=O)c1cc(Br)ccc1I 2117895167 PPIMHEPJPHSFHQ-SNVBAGLBSA-N 458.565 4.971 50 10 JJGE COC(=O)[C@@]1(CCCl)C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OCc1ccccc1 2172512343 SVZXCFJDULBKJD-XMSQKQJNSA-N 456.055 4.960 50 10 JJGE CN([C@H](CCBr)C(F)(F)F)S(=O)(=O)c1cc(Cl)c(Br)s1 2178519060 WMLVTLUVNPKBGD-ZCFIWIBFSA-N 479.565 4.500 50 10 JJGE O=S(=O)(NCC[C@@H]1CCCC[C@H]1Br)c1cc(Cl)c(Br)s1 2179630792 XMICOQQTZLQFBA-DTWKUNHWSA-N 465.660 4.786 50 10 JJGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 2296543577 NQRFCGIZISTXQR-UHFFFAOYSA-N 477.929 4.787 50 10 JJGE COc1ccc(C=CC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1 2321143576 XSFYXUPNWOVXTD-UHFFFAOYSA-N 456.329 4.847 50 10 JJGE BrC[C@H]1CN(Cc2ccc(I)c(Br)c2)CC12CC2 2325206088 BECQHKUJXCTPFU-NSHDSACASA-N 485.001 4.661 50 10 JJGE COc1ccc([C@@H](Br)c2c(Br)nc(C)n2C)c(Br)c1 2337278144 CHSJHAYFHKMHTD-LLVKDONJSA-N 452.972 4.746 50 10 JJGE COc1ccc([C@H](Br)c2c(Br)nc(C)n2C)cc1I 2337283330 NIRKPURGOKAMFJ-NSHDSACASA-N 499.972 4.589 50 10 JJGE ClC[C@@]12CCC[C@@]1(CNCc1ccc(I)c(Br)c1)C2 2349836512 QGKMLHCJERKLHP-GJZGRUSLSA-N 454.577 4.943 50 10 JJGE FC(F)(CCl)[C@@H]1CCN(Cc2ccc(I)c(Br)c2)C1 2349855164 LTGFKWQJADGLJZ-SNVBAGLBSA-N 464.519 4.750 50 10 JJGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OC)c(OC)c1 14648350 NRXJHSAXBDKUNO-UHFFFAOYSA-N 479.371 4.500 50 10 JJGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(Cl)c(C)c1 14768282 ZXRZZAGGPMOYQZ-QHCPKHFHSA-N 452.938 4.699 50 10 JJGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccccc1)c1nc3cc(Cl)c(Cl)cc3nc12 33364173 CGCTUOAYLDIKPQ-RPWUZVMVSA-N 469.372 4.727 50 10 JJGE CCCCN1C(=O)/C(=N\NC(=O)CCCCCNC(=O)c2ccccc2Cl)c2cc(C)ccc21 38180233 YMAQBZVEGOLCAF-KRUMMXJUSA-N 483.012 4.606 50 10 JJGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)c1 38654918 HCFPQJPBCBRXNS-DEOSSOPVSA-N 471.469 4.821 50 10 JJGE COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C)cc3C)nc3ccccn3c2=O)c1 39858864 PXBXKDSPMLHAKR-RGEXLXHISA-N 466.497 4.658 50 10 JJGE O=C(NNc1ncnc(Nc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-])c1ccccc1Br 40648739 JYIQURUCAOFURU-UHFFFAOYSA-N 497.231 4.667 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-])c1ccccc1 40657306 VVXQGZKMBRCRNJ-UHFFFAOYSA-N 452.780 4.558 50 10 JJGE CCc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)CCC3)cc1 40813094 CAVCCPCEACUDRI-LHLOQNFPSA-N 461.474 4.748 50 10 JJGE CCOc1ccccc1C=NNC(=O)CCCCCCCC(=O)NN=Cc1ccccc1OCC 254396023 FLLKXIZTDYSKDU-UHFFFAOYSA-N 480.609 4.815 50 10 JJGE COc1cc(C=NNC(=O)c2cc3c(s2)CC[C@H](C)C3)ccc1OCC(=O)N1[C@@H](C)CCC[C@@H]1C 254490889 IJAZJUMLNZEFSA-FHWLQOOXSA-N 497.661 4.814 50 10 JJGE Cn1cncc1CCCOc1c(Br)cc(Br)cc1CBr 314418931 VRKHEKKGUUTEIQ-UHFFFAOYSA-N 466.999 4.852 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccc(Br)s2)C1 382725224 PSXCIOJEWXZKCE-ZJUUUORDSA-N 472.186 4.896 50 10 JJGE CC(C)(C)N(CCCBr)C(=O)c1ccc(I)c(Cl)c1 691002274 GZGQMAFKCMWSMB-UHFFFAOYSA-N 458.565 4.970 50 10 JJGE C[C@H]1CN(C(=O)c2scc(Br)c2Br)C[C@]1(C)CBr 705447179 FRSFLRYKAOKERT-MADCSZMMSA-N 460.029 4.766 50 10 JJGE O=C(N[C@H](CCCl)C1CCCC1)c1cc(I)ccc1Br 725044919 RYXHGWOCDFFAFS-CQSZACIVSA-N 470.576 4.971 50 10 JJGE Cc1nn(C(C)C)c(C)c1C=NNC(=O)CCCSc1nc2ccc([N+](=O)[O-])cc2s1 1084285316 SLOYPDYSXPKHEK-UHFFFAOYSA-N 460.585 4.621 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OC 1084290602 RKEDZVKXXZFTQM-SDQBBNPISA-N 480.702 4.964 50 10 JJGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744390 CXYSFPPARSTJTH-UHFFFAOYSA-N 472.501 4.560 50 10 JJGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccn2)cc1OC 1865697143 NZQDUSZVPSYXJP-QHCPKHFHSA-N 459.550 4.625 50 10 JJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(C(=O)O)cc1)C(C#N)=C(N)O2 1865709263 SGHFVAQSIOUIQA-SFHVURJKSA-N 455.301 4.658 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H](CBr)C2(CCC2)C1 1914493879 SJEMBOMDALKGJT-QMMMGPOBSA-N 472.040 4.910 50 10 JJGE O=S(=O)(c1cccc(Br)c1)N(Cc1ccccc1)C1(CBr)CCC1 1915751293 RLKZEYPQMBVNDQ-UHFFFAOYSA-N 473.230 4.958 50 10 JJGE CCOC(=O)c1c(C)[nH]c(C(=O)C(C#N)=Cc2cn(Cc3ccccc3)nc2-c2cccnc2)c1C 2040447675 WDGTWLDAVRCQLN-UHFFFAOYSA-N 479.540 4.905 50 10 JJGE CC(C)[C@@H]1[C@H](Br)CCN1C(=O)c1cc(Cl)ccc1I 2126104082 ZOCHYYBEALTUAZ-DGCLKSJQSA-N 456.549 4.579 50 10 JJGE BrCc1ccc(N2CC[C@H]3COC[C@@H](C2)N3Cc2ccccc2)c(Br)c1 2139652281 ODIGJKPIFZBNIC-RBUKOAKNSA-N 480.244 4.824 50 10 JJGE CO[C@H](COc1c(Br)cc(CBr)cc1Br)[C@@H]1CCOC1 2150288974 UMJDEAOGSWNFBC-ZWNOBZJWSA-N 472.999 4.537 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CCC2(CC1)C[C@H]2CBr 2150503327 LDCMPXPQUPMKAN-JTQLQIEISA-N 466.011 4.849 50 10 JJGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2CCC[C@@]2(CCl)C1 2159399643 CGRBWDWUVUTTHC-ZUZCIYMTSA-N 468.560 4.535 50 10 JJGE BrC[C@]12CCCC[C@H]1CN(c1ncc(Br)cc1Br)C2 2230598891 CSYNNSLYPDWMDJ-HZMBPMFUSA-N 453.016 4.998 50 10 JJGE C[C@@]1(CBr)C=CCCN1c1ncc(C(F)(F)F)cc1I 2279064910 BFQFEIWGLDLVMH-LBPRGKRZSA-N 461.063 4.625 50 10 JJGE COc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 2296507177 XHPFCCDNUCRQMK-QHCPKHFHSA-N 473.529 4.899 50 10 JJGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2296834975 IFGMCQPCSDIBKI-XMMPIXPASA-N 471.557 4.877 50 10 JJGE C[C@H](Br)CN(Cc1ccc(I)c(Br)c1)C1CC1 2306225134 VESKEFZNZAMJRL-VIFPVBQESA-N 472.990 4.802 50 10 JJGE COc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593913 VXNCJDPKTRZXQJ-DEOSSOPVSA-N 487.581 4.648 50 10 JJGE CCOC(=O)c1cnn(-c2cc(C)c3cccc(C)c3n2)c1NC(=O)C(C#N)=Cc1ccccc1 2322542246 JKVMELDSVCIRIY-UHFFFAOYSA-N 465.513 4.760 50 10 JJGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)Nc4ccc(S(=O)(=O)O)cc4)cc3)sc2c1 2324195029 QCJRNQFQBQLDDK-UHFFFAOYSA-N 490.566 4.977 50 10 JJGE COc1ccc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc1OCc1ccc(Cl)c(Cl)c1 2328818793 SKKMNTNABJFLHS-AWEZNQCLSA-N 496.391 4.944 50 10 JJGE CCOC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1NC(=O)C(C#N)=Cc1cccc(F)c1 2329674257 GUDVKVILGHOLFJ-UHFFFAOYSA-N 497.324 4.805 50 10 JJGE CC[C@]1(C)[C@H](Br)CCN1C(=O)c1cc(Br)cc(Br)c1 2336763415 BQLHXYYLMCBCKK-TZMCWYRMSA-N 454.000 4.990 50 10 JJGE O=C(COc1ccccc1-c1ccccc1)NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 13980022 IXGYEILGPJSWGR-UHFFFAOYSA-N 481.577 4.735 50 10 JJGE O=C(NNC(=O)c1ccccc1OCCOc1ccccc1)c1ccc(OCc2ccccc2)cc1 14040619 SOKBROZIUSUSQP-UHFFFAOYSA-N 482.536 4.798 50 10 JJGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1O)CCC2 40826328 PAVVFOJFVNUOTI-JVWAILMASA-N 467.909 4.678 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1 40930022 GMSOYEFNNGXXTR-HMMYKYKNSA-N 458.514 4.785 50 10 JJGE CC1=C(C(=O)N/N=C/c2ccccc2Cl)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 59384954 BKSQYLKDLAZAGQ-WFBSDAATSA-N 453.782 4.590 50 10 JJGE COc1ccc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c(Br)c1OC 169890186 HRFDLVAVJWDIOX-MSXFZWOLSA-N 456.340 4.590 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CCC[C@@H](CBr)CC1 393453754 AQEVZSLCVXBBPE-SNVBAGLBSA-N 456.549 4.582 50 10 JJGE COc1cc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)ccc1C 394683455 DKNGEEWYGJEEKI-MOPGFXCFSA-N 465.331 4.791 50 10 JJGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(Br)cc(Br)c1 686180217 SIORSSZWRWUHMA-HKSFMPNISA-N 466.011 4.988 50 10 JJGE BrCc1cc(Br)c(OCCN2CCSCC2)c(Br)c1 705972356 HHTZKFHHDIXUJZ-UHFFFAOYSA-N 474.056 4.534 50 10 JJGE COc1ccc(OC)c(C=NNC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)c1Br 1084038139 DENWLOXGYJZKQS-IINYFYTJSA-N 450.160 4.508 50 10 JJGE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747397 OFTBFTWHVHHOMH-UHFFFAOYSA-N 498.627 4.892 50 10 JJGE Cc1cc(OCC(=O)NN=Cc2ccc(Br)o2)c(Br)c(C)c1Cl 1772756569 XNXDQXNHIXYIKA-UHFFFAOYSA-N 464.541 4.604 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)ccc1O 1865681079 DQBXDJDSVONEKK-OAQYLSRUSA-N 471.344 4.869 50 10 JJGE CCCc1nn(CCC)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701254 QLEFEMOFYNJNNL-HNNXBMFYSA-N 496.203 4.694 50 10 JJGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865706714 DBIULYSMDRIQQY-IBGZPJMESA-N 471.344 4.733 50 10 JJGE CCCC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(SC#N)cc1 1866878932 YEMWKZBCBLJZGO-FCHUYYIVSA-N 495.674 4.912 50 10 JJGE CC1(C)[C@H](Cl)CCCN1C(=O)c1cc(I)ccc1Br 1887608267 UKDOZAYVQKUREV-GFCCVEGCSA-N 456.549 4.676 50 10 JJGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@@]12CCOC2 1894791250 NGRSINOMOGEVEF-IINYFYTJSA-N 454.984 4.912 50 10 JJGE COc1cc(C=C(C#N)c2nnc3n2CCCCC3)ccc1OC(=O)c1cc(F)c(F)c(F)c1F 2042453290 AKUDZRZMNVFVPW-UHFFFAOYSA-N 486.425 4.853 50 10 JJGE Cc1cnn(C)c1COc1c(Br)cc(CBr)cc1Br 2098065568 WKYKBSSAYBOTJG-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE O=S(=O)(N[C@H](CBr)c1cccs1)c1cc(Cl)c(Br)s1 2119044301 CYGBSMHPCFGZDN-SSDOTTSWSA-N 465.641 4.640 50 10 JJGE Cc1csc(CBr)c1S(=O)(=O)N(C)[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2179815911 OSNRZBUGJKBSTB-QGZVFWFLSA-N 471.486 4.625 50 10 JJGE CCC[C@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@H]1CBr 2205703591 NWNIAWKRWFEOND-NWDGAFQWSA-N 470.576 4.828 50 10 JJGE CCN(CCCCCI)[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2214705014 MDPRMPDTUGYHQS-DLBZAZTESA-N 452.421 4.997 50 10 JJGE Cc1nc(I)c(I)n1-c1cc(Cl)cc(CCl)c1 2217351767 BKUUMJBBIPPCHE-UHFFFAOYSA-N 492.913 4.782 50 10 JJGE CC[C@H](Br)[C@H]1CCCCN1C(=O)c1ccc(C)c(I)c1 2232827250 AQWISHVXMCORKM-DZGCQCFKSA-N 450.158 4.768 50 10 JJGE CC(C)(C)C1CC(CBr)(NC(=O)c2csc(I)c2)C1 2274099416 NYTPERGLVKINEJ-UHFFFAOYSA-N 456.187 4.672 50 10 JJGE CN(C(=O)c1c(F)cccc1I)[C@H]1CCCCC[C@H]1Br 2282793574 BJQUIUXYQXHATB-MFKMUULPSA-N 454.121 4.599 50 10 JJGE N#CC(=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)NCc1ccco1 2294168551 RGMJGXCPZBEYSZ-UHFFFAOYSA-N 482.290 4.753 50 10 JJGE N#CC(=Cc1ccc(OC(=O)c2ccco2)cc1)C(=O)Nc1cccc(I)c1 2295172582 DLVYRGUKANYZGJ-UHFFFAOYSA-N 484.249 4.649 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@@H]2CCCO2)cc1C 2296729509 SPHITAWDFJQIOG-VWLOTQADSA-N 470.573 4.839 50 10 JJGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCn2ccnc2)cc1 2297464098 CVYIZJPUKVAMTH-UHFFFAOYSA-N 482.613 4.961 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1OC 2297623370 CYPXWCHCGRCSMU-AREMUKBSSA-N 454.482 4.541 50 10 JJGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@H]2CCCO2)c1 2314476109 IYXNKZDCGVUCTH-RUZDIDTESA-N 456.546 4.530 50 10 JJGE COc1cc(C=NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc([N+](=O)[O-])c1O 2321250742 LQZNLHKFVCQMFU-UHFFFAOYSA-N 475.288 4.750 50 10 JJGE COc1ccc([C@H](C)NC(=O)C(C#N)=CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2325053665 FBJUGGXLZWWSBX-QHCPKHFHSA-N 480.612 4.687 50 10 JJGE BrC[C@@H]1C[C@@H]2CC[C@H]1N2Cc1ccc(I)c(Br)c1 2325225898 KBIMHLAYZBNDSE-COPLHBTASA-N 485.001 4.802 50 10 JJGE COc1cc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(OC)c1OC 2331295869 NYWIZMJFPNFKCE-UHFFFAOYSA-N 485.949 4.712 50 10 JJGE O=C(N[C@@H]1C[C@@H](CBr)C12CCC2)c1csc(Br)c1Br 2351635212 PSNRANGGXYXNIA-IONNQARKSA-N 472.040 4.957 50 10 JJGE CCn1c(SCC(=O)NN=Cc2c(O)ccc3ccccc23)nnc1-c1ccc(Cl)cc1 2193915 LSRYSFTUFIPRLZ-UHFFFAOYSA-N 465.966 4.720 50 10 JJGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1Br 12573071 OWMWHHWXOMLCII-UHFFFAOYSA-N 482.812 4.575 50 10 JJGE Cc1ccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccc(F)cc2)c2ccccc23)cc1 33267910 SPUKRUUTGVUMMW-HSZRJFAPSA-N 473.529 4.661 50 10 JJGE CCOC(=O)/C(C#N)=C\c1ccc(OCCOc2ccc(Br)cc2)c(OCC)c1 33863412 JUBFYWTZHBDPSG-LGMDPLHJSA-N 460.324 4.776 50 10 JJGE CCCN1C(=O)/C(=N/NC(=O)COc2ccc3cc(Br)ccc3c2)c2cc(C)ccc21 33959295 LVNYZMOWZAOOED-SLEBQGDGSA-N 480.362 4.567 50 10 JJGE CCCC(=O)N1CCN(C(=O)/C(C#N)=C2\SC=C(c3ccccc3)N2c2ccc(F)cc2)CC1 37441428 IFBNNTVHZWFEEZ-ROMGYVFFSA-N 476.577 4.584 50 10 JJGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OC)c1 38650064 CDEYAVNPNHFPEH-VWLOTQADSA-N 456.498 4.921 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)c1 38650184 NVFBNZZABVZHET-DEOSSOPVSA-N 462.889 4.551 50 10 JJGE Cc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)c1 39858903 CIXXAQRLEJNSLF-HKWRFOASSA-N 450.498 4.958 50 10 JJGE COc1ccccc1NC(=O)/C(C#N)=C/c1c(Oc2cc(C)cc(C)c2)nc2ccccn2c1=O 39993040 NQSXGFCIDFGZFA-XDJHFCHBSA-N 466.497 4.658 50 10 JJGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)c1 40530174 GTJCTQKYSQPTLB-HHHXNRCGSA-N 470.525 4.850 50 10 JJGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813377 XUWMCRZWVMHZOT-VUTHCHCSSA-N 485.028 4.751 50 10 JJGE CN(Cc1csc(Br)c1)S(=O)(=O)c1ccc(CCl)cc1Br 91271093 ADNHEMLFJLNVRO-UHFFFAOYSA-N 473.639 4.833 50 10 JJGE Nc1nc2ccc(CC(=O)N/N=C\c3cccc(OCc4ccc(Cl)cc4)c3)cc2s1 169917073 ZQPHSKYMZNBEED-ZMFRSBBQSA-N 450.951 4.804 50 10 JJGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NCc4ccco4)c(=O)oc3c2)cc1 206427137 GZDNWZWSEKKSQV-MOSHPQCFSA-N 498.491 4.617 50 10 JJGE CCCOc1ccc(/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OCC 214403934 WEILDBULTZHTTQ-KQWNVCNZSA-N 474.557 4.718 50 10 JJGE Cc1ccc(-n2c(SCC(=O)NN=Cc3c[nH]c4ccccc34)nnc2-c2ccccc2)cc1 254475909 WTBDLDYAYOAXCB-UHFFFAOYSA-N 466.570 4.966 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3cccc(OC)c3)n2-c2ccccc2)cc1 254557719 PPILEPCLHNYMBG-UHFFFAOYSA-N 487.585 4.584 50 10 JJGE CC[C@H](NC(=O)c1cc(Br)ccc1I)[C@H](Br)CC 313088574 RBXHKAJRQKVJNO-PWSUYJOCSA-N 488.989 4.736 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1C[C@H]2C[C@@H](Br)CC[C@H]2C1 398744008 QZXZGEPRVFFTFU-AXFHLTTASA-N 468.560 4.580 50 10 JJGE N#Cc1ccc(CNC(=O)NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(F)c1 729879943 RCOZEDARJLYHTN-UHFFFAOYSA-N 468.941 4.787 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)c2ccccc2Br)c(-c2ccccc2)n1 761379768 BBBOYMGMVQTWEK-AQTBWJFISA-N 489.329 4.559 50 10 JJGE Cc1c(Cl)cccc1NC(=O)COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 761409119 BJHLKYIZQLHJDZ-CPNJWEJPSA-N 473.920 4.514 50 10 JJGE CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cs1 916243998 ZOPKKVLQCHQKIU-UHFFFAOYSA-N 477.424 4.519 50 10 JJGE O=C(NN=Cc1cc(Br)cc(Br)c1O)c1cc(F)c(F)cc1Cl 1083908891 SJXYGHDXHFVYAI-UHFFFAOYSA-N 468.479 4.613 50 10 JJGE COc1ccc(C(C)=NNC(=O)CCCSc2nc3ccc([N+](=O)[O-])cc3s2)cc1OC 1084183976 IELPHELGGOAPNR-UHFFFAOYSA-N 474.564 4.634 50 10 JJGE CCN(CC)c1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CBr)c(O)c1 1614706578 WGCPMKYLIIJLRW-NQIIRXRSSA-N 461.400 4.986 50 10 JJGE Cc1ccc2c(c1)C(=NNC(=O)COc1ccc3cc(Br)ccc3c1)C(=O)N2CC(C)C 1772720659 QZDCAODHAFWBJZ-UHFFFAOYSA-N 494.389 4.813 50 10 JJGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2)c1cccc(C)c1 1772745031 OZKAOJTVJUJWRF-UHFFFAOYSA-N 474.517 4.942 50 10 JJGE CCOc1c(Br)cc(C=NNC(=O)COc2cc(Cl)ccc2Cl)cc1OC 1772753789 IWIZYQJOOGEKIZ-UHFFFAOYSA-N 476.154 4.692 50 10 JJGE COc1ccc(OCCCC(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 1860823001 UHHGJDZJGIHGGS-GNVQSUKOSA-N 477.948 4.575 50 10 JJGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1cccc(OC)c1OCC 1865693416 ODERCJDLFANWIX-OAQYLSRUSA-N 460.534 4.594 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1ccc2c(c1)OCCO2 1865697887 DVXULAXIPSOZLL-QGZVFWFLSA-N 474.826 4.534 50 10 JJGE CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3cccc(F)c3)sc2c1 1866131541 ZWCSUDFEPCJMAF-SFQUDFHCSA-N 486.594 4.792 50 10 JJGE CC(C)(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)cc2C1=O 1872752564 JPZLUZCNWBKOML-FXBPSFAMSA-N 473.510 4.883 50 10 JJGE Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CCCC[C@H]3CCSS3)cc2)c1C 1874191378 MDFPROKGOARNNX-INIZCTEOSA-N 455.627 4.745 50 10 JJGE CC1(C)CC[C@@H](Br)[C@H](CNC(=O)c2csc(I)c2)C1 1927042119 MAHZVBOFJZOERD-WDEREUQCSA-N 456.187 4.672 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1985347197 OUJVZDIVLFIYEL-IAGOWNOFSA-N 463.710 4.566 50 10 JJGE CC(F)(F)C[C@@H](CBr)NC(=O)c1scc(Br)c1Br 2050363472 ASODLEQWKPMKOS-YFKPBYRVSA-N 469.971 4.812 50 10 JJGE CC(C)(C)[C@H](Br)CNC(=O)c1ccc(Br)cc1I 2086148431 AHAJNLDTXHPVND-LLVKDONJSA-N 488.989 4.593 50 10 JJGE CS(=O)(=O)c1csc([C@H](Br)c2ccc(I)c(Cl)c2)c1 2093074190 JEDKKAXIPSQZCM-GFCCVEGCSA-N 491.597 4.894 50 10 JJGE C[C@@H]1CC[C@H](CBr)CN1C(=O)c1c(Br)cccc1Br 2094095403 LTZIBMYRZKTJRP-NXEZZACHSA-N 454.000 4.847 50 10 JJGE C[C@@H]1C[C@@H](Br)CCN(C(=O)c2cc(Br)ccc2Br)C1 2103285619 JTEIMVCIBQWZEG-KOLCDFICSA-N 454.000 4.847 50 10 JJGE CN(C[C@@H]1CCC[C@@H]1Cl)C(=O)c1ccc(Br)cc1I 2142289650 RZFOSPXTBHKHTD-CABZTGNLSA-N 456.549 4.533 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CC[C@@H]2C[C@@H](Br)CC[C@H]21 2143971459 GAFYVFQBRYXBMT-ISTVAULSSA-N 468.560 4.723 50 10 JJGE C[C@H]1C[C@H](CBr)CN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2156539160 NNTBUISXLGXFMC-JGVFFNPUSA-N 466.022 4.550 50 10 JJGE CC(C)(C)[C@@]1(CBr)CCN(C(=O)c2cccc(I)c2)C1 2160942815 USFLGHISJDWFFH-MRXNPFEDSA-N 450.158 4.565 50 10 JJGE Cn1nc(CC(CBr)(CBr)Cc2ccccc2)cc1Br 2168212645 SLJLXQCCCDUFRB-UHFFFAOYSA-N 465.027 4.744 50 10 JJGE C[C@H](Br)CN1CCCN(Cc2cccc(Br)c2Br)CC1 2176829342 YLPOOVXINQHHNB-LBPRGKRZSA-N 469.059 4.503 50 10 JJGE O=C(N[C@@H](CCl)C1CCCCC1)c1ccc(Br)cc1I 2207271765 LBSXRAJCCVMRQH-AWEZNQCLSA-N 470.576 4.971 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(CCCCI)C2)C1 2248249722 NBMCDVAUOUKOCL-DLBZAZTESA-N 450.405 4.561 50 10 JJGE COc1ccc([C@H](Br)C2C[C@H]3COC[C@H](C2)C3)cc1I 2285012216 RJCCALLXASCREO-MMPTUQATSA-N 451.142 4.799 50 10 JJGE CC(C)Cn1c(CBr)nnc1Cc1cc(Br)cc(Br)c1 2295315468 MBSTUQBDYSICFQ-UHFFFAOYSA-N 466.015 4.945 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC 2313518553 IVYRLQNPINZDAW-UHFFFAOYSA-N 476.314 4.943 50 10 JJGE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314532529 KGTHNNOKPHJCKS-UHFFFAOYSA-N 466.497 4.603 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@@H]2CCOc3ccccc32)C1 2340296336 HUXKEBBWYLRRFB-YLJYHZDGSA-N 473.351 4.732 50 10 JJGE C[C@H](Br)CCCc1cn(Cc2ccc(Cl)cc2I)nn1 2366711335 IECUGVUTZLUVKR-JTQLQIEISA-N 468.564 4.691 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=O)CCCC(=O)OCCCc2ccccc2)cc1 14025554 NNEFKDTXXKUCRH-UHFFFAOYSA-N 468.594 4.753 50 10 JJGE Cc1ccc(C(C)C)c(OCCn2cc(/C=C(/C#N)C(=O)N3CCC(C(N)=O)CC3)c3ccccc32)c1 33344340 PMKZXTUTAMFMNF-QJOMJCCJSA-N 498.627 4.783 50 10 JJGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)cc1 33379632 MYMFESYCESQDBI-MNDPQUGUSA-N 496.523 4.748 50 10 JJGE CCOc1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 40846893 CTICEDAXHBFOOU-JFLMPSFJSA-N 468.937 4.855 50 10 JJGE CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 40858758 CCINHVXKEZTKRE-QGOAFFKASA-N 452.561 4.613 50 10 JJGE CC(C)Cc1ccc([C@H](C)C(=O)N/N=C2/C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc32)cc1 59147515 WWVKXKROWMJRQR-CVPHNUOQSA-N 484.556 4.964 50 10 JJGE CN(CCCCCBr)C(=O)c1cc(I)ccc1Br 234281614 OWEGZGNTJVVYJJ-UHFFFAOYSA-N 488.989 4.691 50 10 JJGE Cc1cnc2c(c1)nc(CCl)n2-c1ccc(I)c(Br)c1 312454993 RYHNLDMAOQXTBY-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 914464294 DHEPKSKFUPRCAR-XYGWBWBKSA-N 489.583 4.549 50 10 JJGE CCCOc1ncccc1CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 920746771 GIXXRAADMUROOA-ZHZULCJRSA-N 474.952 4.524 50 10 JJGE Cc1cc(C=NNC(=O)c2ccc(CN3CCOCC3)cc2)c(C)n1-c1cc(Cl)ccc1Cl 1084274013 LXNOOOQTAGCNLJ-UHFFFAOYSA-N 485.415 4.997 50 10 JJGE C=CCCCNC(=O)NNc1c(Br)cc(Br)cc1Br 1248410067 PDQIHSAWMVVMQN-UHFFFAOYSA-N 455.976 4.566 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)ccc1OC(C)C 1865696886 SWEKKNRWZXXXJG-HSZRJFAPSA-N 464.953 4.907 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc(OC)c1O 1865714539 MOWUDVHKTSGEBP-QHCPKHFHSA-N 480.524 4.789 50 10 JJGE O=C(NCC[C@@H]1CCC[C@@H]1Br)c1cc(Br)ccc1Br 1913719907 ACNQERDURQOGOE-CABZTGNLSA-N 454.000 4.895 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1[C@H](CNC(=O)OC(C)(C)C)CCC12CCC2 2061267772 ISYSAKYWPNHJQJ-ROUUACIJSA-N 489.748 4.956 50 10 JJGE C[C@H](Br)[C@H](NC(=O)c1csc(Br)c1Br)C(F)(F)F 2074715217 DSGQLCGOZQIMHI-DZSWIPIPSA-N 473.934 4.717 50 10 JJGE Cc1nccc(COc2c(Br)cc(CBr)cc2Br)n1 2089439246 VHARDIDXXDGHOX-UHFFFAOYSA-N 450.956 4.784 50 10 JJGE O=S(=O)(N[C@H](CBr)c1ccsc1)c1cc(Cl)c(Br)s1 2119045577 PECLGOSPDFOUOY-MRVPVSSYSA-N 465.641 4.640 50 10 JJGE CCn1cc(S(=O)(=O)N(CCC(F)(F)F)Cc2ccccc2)cc1CBr 2123199191 OXMSURNMYIEJFL-UHFFFAOYSA-N 453.324 4.546 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1cc(Br)sc1Br 2139708175 JQXAYIGNRHGQKL-ZRUAGYDASA-N 472.040 4.955 50 10 JJGE C[C@@H](Cl)C12CCC(CC1)N2C(=O)c1cc(I)ccc1Br 2153390478 BRWNKQHNAMLOIK-IWPPJYEWSA-N 468.560 4.818 50 10 JJGE Brc1cccc([C@H](CI)OCCN2CCCCCC2)c1 2175840874 DSMCEEFSPYRFJH-INIZCTEOSA-N 452.174 4.818 50 10 JJGE CCC[C@@H](CBr)CNS(=O)(=O)c1cc(Br)c(C)cc1Br 2177248944 NOHUCOCBCDBEFH-JTQLQIEISA-N 492.071 4.610 50 10 JJGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)c(C)cc1C 2179857689 CXSOUSZLZWARHC-UHFFFAOYSA-N 454.430 4.816 50 10 JJGE CC[C@@H]1CN(c2ncc(C(F)(F)F)cc2I)C[C@@H]1CBr 2205684407 RNYNYXZXGZMAPM-BDAKNGLRSA-N 463.079 4.562 50 10 JJGE CCCN(C[C@@H](C)Br)C(=O)c1ccc(Br)cc1I 2259778910 OEGBRHJEAQRESJ-SECBINFHSA-N 488.989 4.689 50 10 JJGE CC1(C)C[C@H](CBr)N(C(=O)c2ccc(Cl)c(I)c2)C1 2268348010 VRCIDDVLLAWGIZ-SNVBAGLBSA-N 456.549 4.580 50 10 JJGE CC1(C)C[C@H](Br)C[C@H](NC(=O)c2c(F)cccc2I)C1 2282791845 KFALQFAFUMCYLH-ZJUUUORDSA-N 454.121 4.502 50 10 JJGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1ccc(Cl)c(I)c1 2283669573 PJBNNJXGRADEOC-GCDPNZCJSA-N 468.560 4.721 50 10 JJGE Cc1ccc(COc2ccc(C=NNC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)cc1 2321721609 TVJPGVNUCXXZNS-JOCHJYFZSA-N 451.567 4.671 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1[C@H]2CC[C@H](C2)[C@@H]1CBr 2330983419 JZYMJCUAUPEHGC-JCOFBHIZSA-N 451.984 4.600 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1F 2331337754 XZIMNTKXOJLJFF-UHFFFAOYSA-N 482.493 4.652 50 10 JJGE Cc1nn(C)c(OCc2cc(I)ccc2Br)c1CBr 2341779821 LQMXAUOKPNHVMB-UHFFFAOYSA-N 499.972 4.570 50 10 JJGE CC12CC(C1)[C@H](CO[C@H](CI)c1cccc(Br)c1)CO2 2365846347 XMVSHYRPHKDXBH-RIALXRMPSA-N 451.142 4.757 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)OCC(=O)N(CCC#N)c2ccccc2)c(C)n1-c1ccc(F)cc1 21972958 GMAYNYNAFXIQKB-CJLVFECKSA-N 470.504 4.630 50 10 JJGE Cc1cccn2c(=O)c(/C=C(/C#N)c3nc4ccccc4n3C)c(Oc3ccc(F)cc3)nc12 33584006 VIVFTFYHKOJMSX-VKAVYKQESA-N 451.461 4.885 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)c1 38650128 FGYDPYZXQQSFIS-QFIPXVFZSA-N 477.314 4.895 50 10 JJGE CCOc1ccc(/C=C2/CN(CC)CC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(OCC)cc2)cc1 39315376 XUJXQAZCYLFDEY-JTOKTMFQSA-N 457.574 4.965 50 10 JJGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813089 JXFMHJWHXIDACU-VUTHCHCSSA-N 483.484 4.767 50 10 JJGE N#CCOc1c(Br)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1Br 59304689 RRUVYBJPOMWYBC-LSHDLFTRSA-N 477.112 4.624 50 10 JJGE CC(=O)Oc1c(Br)cc([N+](=O)[O-])cc1/C=C\c1ccc2cccc(OC(C)=O)c2n1 102968281 JXRACJUJKWNYCK-CLFYSBASSA-N 471.263 4.927 50 10 JJGE CC(CBr)(CBr)NC(=O)c1ccc(Br)cc1C(F)(F)F 229523204 RAAHLMPCNBEXCW-UHFFFAOYSA-N 481.932 4.746 50 10 JJGE CC[C@H](CCBr)CNC(=O)c1cc(I)ccc1Br 234004940 JNLSLDFRZRFHFD-SECBINFHSA-N 488.989 4.595 50 10 JJGE ClCCc1nc2cnccc2n1-c1cc(Br)ccc1I 383579219 HBQJMBJZZVHDJZ-UHFFFAOYSA-N 462.516 4.569 50 10 JJGE BrCc1ccc(Br)cc1N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 404217516 ZVOUDWTXGJEZQD-NHCUHLMSSA-N 480.244 4.824 50 10 JJGE O=C(CBr)c1cc(I)c(OC(F)(F)F)cc1Br 575696937 ZOMYYMULHZLFKJ-UHFFFAOYSA-N 487.835 4.530 50 10 JJGE COC[C@H](CC(CBr)(CBr)c1ccccc1Br)OC 694712779 LYOPACYATGXOKB-NSHDSACASA-N 459.016 4.528 50 10 JJGE O=C(N[C@H](CBr)CC(F)(F)F)c1ccc(Br)cc1Br 717761644 WJFINCVKDVHYQJ-ZETCQYMHSA-N 467.905 4.657 50 10 JJGE O=C(NN=C(CSc1nc2ccccc2[nH]1)c1cccc(Br)c1)c1cccnc1 1084307196 BEMWYWNECIQPTE-UHFFFAOYSA-N 466.364 4.647 50 10 JJGE CCCC(=NNC(=O)COc1ccc(Br)cc1Br)c1ccccc1 1084337170 OZBWQKKKGVQPKR-UHFFFAOYSA-N 454.162 4.911 50 10 JJGE C#CCOc1ccccc1NC(=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 1138309235 NJCJEDQAROFJIA-UHFFFAOYSA-N 457.646 4.604 50 10 JJGE C#CCN1CCC(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)CC1 1635160033 HMVNDJAYRHPJHF-CPNJWEJPSA-N 455.389 4.522 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)cc1O 1865681766 WGHUJZBLADKGIW-NRFANRHFSA-N 456.889 4.822 50 10 JJGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)cc1OCC 1865686950 FXCNCZKESTZBFO-HSZRJFAPSA-N 474.561 4.891 50 10 JJGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1 1865693706 QFRMUKMNPYQLOA-SFHVURJKSA-N 470.451 4.576 50 10 JJGE CCCN(CCC)c1cccc(C(=O)N[C@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)n1 1866598915 GNCCDLMNTHFJNP-OAQYLSRUSA-N 485.679 4.771 50 10 JJGE CCS(=O)(=O)C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 1899852281 ORFFRMADHXQGAG-INIZCTEOSA-N 462.203 4.899 50 10 JJGE Cc1cc(C(=O)N[C@@H](CCBr)COCc2ccccc2)c(Br)s1 1902790024 DTULBFQCBAIKOO-AWEZNQCLSA-N 461.219 4.919 50 10 JJGE FC1(F)[C@@H]2COC[C@@]21[C@H](Br)c1cc(Br)c(Br)s1 1906050179 DRWXMVCSSTVTAH-BHNWBGBOSA-N 452.940 4.991 50 10 JJGE CN(C[C@@H]1C[C@H]1Br)C(=O)c1ccc(Br)c(NC(=O)OC(C)(C)C)c1 1910142159 DPMUQAOPURELLA-WCQYABFASA-N 462.182 4.652 50 10 JJGE CC1(C)CC[C@@H](Br)[C@@H](CNC(=O)c2ccccc2I)C1 1927050419 LQWYYZLOFQTRNF-DGCLKSJQSA-N 450.158 4.611 50 10 JJGE O=S1(=O)C[C@H]2C([C@@H](Cl)c3c(Br)sc(Br)c3Br)[C@@H]2C1 2054217077 FWTDQVYTOWSFSW-TTWOZLTLSA-N 499.471 4.606 50 10 JJGE O=C(CBr)c1c(C(F)(F)F)ccc(I)c1OC(F)(F)F 2055156627 XUVUIKKMDDDULF-UHFFFAOYSA-N 476.936 4.786 50 10 JJGE O=C(CBr)c1c(OC(F)(F)F)ccc(I)c1C(F)F 2060384041 KYUOLWGRHZZLCV-UHFFFAOYSA-N 458.946 4.705 50 10 JJGE O=C(CBr)c1cc(C(F)F)cc(I)c1OC(F)(F)F 2060389444 QJCDKWBUDGTPHJ-UHFFFAOYSA-N 458.946 4.705 50 10 JJGE O=C(N[C@@H]1CC[C@H]2C[C@@]21CBr)c1cc(Br)sc1Br 2068353907 GTAUMOMWUBIKSC-BLYIZYRKSA-N 458.013 4.567 50 10 JJGE Cc1c([C@H](Br)[C@@H](C)c2ccncc2Br)nn(C)c1Br 2111932118 HEFDXRNBLGJWOC-WRWORJQWSA-N 451.988 4.888 50 10 JJGE O=C(N[C@@H]1CC[C@H]2C[C@@]21CBr)c1cccc(Br)c1Br 2132100491 JUIWBEDADYXCOS-OLXJLDBKSA-N 451.984 4.505 50 10 JJGE CC(C)(C)C[C@H](Cl)CNC(=O)c1ccc(Br)cc1I 2142285070 KTTWAYAICDIAJU-JTQLQIEISA-N 458.565 4.827 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CC[C@H](Br)CC12CC2 2142288139 QNTASAOVRIFALY-JTQLQIEISA-N 498.984 4.586 50 10 JJGE ClCCc1nc2cc(I)ccc2n1[C@H]1CCOC[C@H]1OCc1ccccc1 2146523981 QPIWIXKLUVBFLV-VQTJNVASSA-N 496.776 4.969 50 10 JJGE CCc1ccc(CBr)cc1S(=O)(=O)N(C)[C@H]1CC[C@H]1OCc1ccccc1 2179857869 GADAPKFPKDWJAG-VQTJNVASSA-N 452.414 4.512 50 10 JJGE Cc1cccc(C(=O)N2CC[C@@H](Br)[C@@H]2C(C)(C)C)c1I 2185098650 ACYRLIGPBRHPBC-TZMCWYRMSA-N 450.158 4.624 50 10 JJGE C[C@H](Br)CCCc1cn(Cc2c(Br)cccc2Br)nn1 2189281447 CSPBUPMXDLYKMS-JTQLQIEISA-N 466.015 4.958 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1cc(Br)cc(Br)c1 2204565617 WABSJZHVTYZGAZ-IOEYQFCTSA-N 466.011 4.894 50 10 JJGE Cc1cccc(C(=O)N2CCCC[C@@H]2CCCBr)c1I 2206674227 GFCBCOJGIQXDLK-CYBMUJFWSA-N 450.158 4.769 50 10 JJGE C[C@@H]1C[C@H](C(F)(F)F)N(CCCCCI)CCN1C(=O)OC(C)(C)C 2220215481 NVBITEVZFIABEU-ZIAGYGMSSA-N 478.337 4.854 50 10 JJGE Cc1sc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CCC1(C)C 2239858592 LNZXVILZZWKPOJ-UHFFFAOYSA-N 471.486 4.627 50 10 JJGE CC1(C)CN(C(=O)Cc2cc(Br)cc(Br)c2)CC[C@H]1Br 2295312888 CCCDUEOKILMLTF-CYBMUJFWSA-N 468.027 4.776 50 10 JJGE C[C@]1(CNC(=O)Cc2cc(Br)cc(Br)c2)CCC[C@H]1Br 2295315053 GXAKCNUDIHHAII-UKRRQHHQSA-N 468.027 4.824 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2nccs2)ccc1OC(=O)c1ccc(Cl)cc1 2295672643 GRKQLBVJPRYARM-UHFFFAOYSA-N 453.907 4.960 50 10 JJGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)cc1 2296718514 OMFCESWLSSACLR-UHFFFAOYSA-N 470.460 4.570 50 10 JJGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)Nc3ccccc3C(=O)OCC)o2)cc1 2296818982 HUWGDGFOXASFSQ-UHFFFAOYSA-N 458.470 4.846 50 10 JJGE Cc1ccc(C(=O)N[C@H](CCBr)COCc2ccccc2)cc1Br 2303538352 JVWSWANSKXPBKD-QGZVFWFLSA-N 455.190 4.858 50 10 JJGE N#CC(=Cc1cccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)c1)c1ccc(Cl)cc1 2318356306 ODRJOMHJIDJLAI-UHFFFAOYSA-N 456.885 4.996 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1[C@H]2CC[C@@H]1[C@H](CBr)C2 2329071554 OVNCJPRLISQJKW-TVYUQYBPSA-N 451.984 4.600 50 10 JJGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccccc4C3=O)n2)c1 2331325223 ZAXHKBBLRBNDAI-UHFFFAOYSA-N 475.526 4.696 50 10 JJGE O=C(NC[C@@H]1CCCC[C@H]1Br)c1ccc(Cl)cc1I 2340054910 PQRVKCHYBPMIHJ-JOYOIKCWSA-N 456.549 4.628 50 10 JJGE CC(C)(C)c1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)cc1 10510879 BOFIFBXABJSJKX-UHFFFAOYSA-N 475.614 4.555 50 10 JJGE CCCOc1ccccc1C(=O)NNC(=O)c1ccc(OCCC(C)C)c(Br)c1 14645724 NWUYMRLLHMPWOG-UHFFFAOYSA-N 463.372 4.738 50 10 JJGE C=CCc1cccc(/C=N/NC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)c1O 20161182 MHDOZNDIAJGIDP-STBIYBPSSA-N 498.612 4.556 50 10 JJGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)ccc2OC)cc1 38659844 WCHZQYTWCZGQBV-AREMUKBSSA-N 484.508 4.706 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1OCC 38679020 BCHWNGALHOWNGQ-SANMLTNESA-N 486.524 4.930 50 10 JJGE COc1ccc(C(=O)NNC(=O)[C@@]23CC[C@@H](c4nc5cc(Cl)c(Cl)cc5nc42)C3(C)C)cc1 39855046 MYGRNWPJYQMKOX-LFPIHBKWSA-N 485.371 4.561 50 10 JJGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 40826539 RZAVGZWZOIXSJC-RDRPBHBLSA-N 454.486 4.565 50 10 JJGE C[C@H](Sc1ccccn1)C(=O)N/N=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 59158102 XWWPRKFFFSYQEG-ULUDIPACSA-N 485.396 4.936 50 10 JJGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)c(C)c2)cc1 100154339 WLNBVKSNPWIZBU-UHFFFAOYSA-N 492.041 4.712 50 10 JJGE CC(=NNC(=O)COc1ccc(Cl)c(C)c1)c1ccc(NC(=O)c2ccccc2F)cc1 254342070 GGTXFCJKTFWKSF-UHFFFAOYSA-N 453.901 4.959 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2[N+](=O)[O-])ccc1O 254841493 PAQFXUWFJBBJDP-UHFFFAOYSA-N 457.527 4.552 50 10 JJGE N#Cc1ccccc1COc1ccc(C=NNC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 254845403 UQGFBFKHYDXQPN-UHFFFAOYSA-N 482.418 4.757 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccc(F)c(Br)c2)C1 382714595 JFOYSDDGIWPZNI-VXGBXAGGSA-N 484.147 4.974 50 10 JJGE Brc1cncc(Br)c1[C@@H]1CCC[C@@H](CI)O1 394578194 TYZWPYORVJTUGC-XVKPBYJWSA-N 460.935 4.652 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CCCC[C@@H](CBr)C1 696724078 VBWBLPQUPRADCV-QMMMGPOBSA-N 460.029 4.910 50 10 JJGE O=C(NC[C@@H]1CCCCO1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238922 YRBMKKJNNIBVJG-QFBILLFUSA-N 474.932 4.765 50 10 JJGE COC(=O)c1sc2ccccc2c1CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 728283923 BMAMEUHYBLYOAZ-XMHGGMMESA-N 495.564 4.688 50 10 JJGE COc1ccccc1NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C 786604824 BKGTXBRUXBJIEE-HJHGFDQJSA-N 461.493 4.719 50 10 JJGE COc1cc(C=NNC(=O)CC#N)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084288710 JIZILKILICVLBK-UHFFFAOYSA-N 471.138 4.707 50 10 JJGE C[C@@H](Sc1ccccn1)C(=O)NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 1084482691 XWWPRKFFFSYQEG-CQSZACIVSA-N 485.396 4.936 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccccc2OC(F)F)C1 1614628139 MOBXHKPWAXUJJZ-WCQYABFASA-N 453.267 4.674 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](c2ccc([N+](=O)[O-])cc2Br)[C@@H](CBr)C1 1614643482 REHSTCGZONTKMT-GWCFXTLKSA-N 464.154 4.703 50 10 JJGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701743 DGDJZCVJDJJHQB-HXUWFJFHSA-N 483.341 4.953 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1865705842 HATBZVODCLNBCL-JOCHJYFZSA-N 467.460 4.864 50 10 JJGE CCC[C@@H](NC(=O)[C@@H](c1ccc(OC)c(OC)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866983237 QSMSXIDBYCIQEP-NFBKMPQASA-N 469.607 4.940 50 10 JJGE COc1cccc([C@H](C)CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)c1 1867107581 PJSHMTLIRKSOAX-CJAUYULYSA-N 489.597 4.834 50 10 JJGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(c4ccccc4C(=O)OC)C3)n2)cc1 1872747460 DSXQKZRRAHMZTK-DJUDNFEDSA-N 489.553 4.841 50 10 JJGE C[C@H](Br)[C@H]1CCCN(C(=O)c2csc(Br)c2Br)C1 2032956359 PYXKHKUWIYGEBY-YUMQZZPRSA-N 460.029 4.909 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2cc(F)cc(F)c2)C1 2083846353 BZXISGFYOMODBO-SFHVURJKSA-N 467.294 4.686 50 10 JJGE O=C(NC[C@H](CBr)C1CCC1)c1cc(Br)cc(Br)c1 2089961920 ZSHSMFJVHVHZFV-NSHDSACASA-N 454.000 4.753 50 10 JJGE O=C(NC[C@H]1CCC[C@H]1CBr)c1cccc(Br)c1Br 2092339253 BZWRVMNXACMCME-VHSXEESVSA-N 454.000 4.753 50 10 JJGE O=C(N[C@H](CBr)c1cscn1)c1ccc(Br)cc1Br 2119037981 GLRKJLNGZYRODE-SNVBAGLBSA-N 468.996 4.534 50 10 JJGE C[C@@H](CCCCCI)NC(=O)c1ncc(Br)cc1Cl 2120543599 HWOQBJFIASSYTD-VIFPVBQESA-N 459.553 4.611 50 10 JJGE COc1ccc(Br)cc1[C@H](Br)c1c(C)nn(C)c1Br 2129265182 JGLXBNDLCVMEHW-LBPRGKRZSA-N 452.972 4.746 50 10 JJGE O=C(c1ccc(Br)cc1I)N1C2CCC1(CBr)CC2 2142277938 WPHYKASVTQOSJX-UHFFFAOYSA-N 498.984 4.586 50 10 JJGE CC[C@@H](C)[C@H](CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2201194944 GZXDIBPJNJMAIM-HQJQHLMTSA-N 468.038 4.844 50 10 JJGE CCCC(=O)[C@H](Br)Cc1ccc(Br)cc1I 2212573660 CMXXGTFPYBRJMF-SNVBAGLBSA-N 459.947 4.729 50 10 JJGE CN(CC1CC(Br)C1)C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2241637086 IYHBIRAUOANMCI-UHFFFAOYSA-N 485.422 4.936 50 10 JJGE COc1ccc([C@H](Br)c2cc(I)sn2)c(OC)c1C 2278036400 CIWIIZTWISFDAK-LBPRGKRZSA-N 454.127 4.558 50 10 JJGE C[C@H]1CCN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@H]1CBr 2295307847 PVYUMPIHSPCXJS-CMPLNLGQSA-N 468.027 4.634 50 10 JJGE COC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)o2)cc1Cl 2313567361 JJUDHIQOSFBTLW-UHFFFAOYSA-N 475.932 4.642 50 10 JJGE C[C@@H](CBr)CC1CN(Cc2ccc(I)c(Br)c2)C1 2325229454 NVEKSJLEEATIOF-SNVBAGLBSA-N 487.017 4.907 50 10 JJGE C[C@@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)CC1=O 2331335930 YSXRJDODJQFSKW-MAUKXSAKSA-N 459.527 4.941 50 10 JJGE FC(F)(CI)C(F)(F)CNCc1cc(Cl)cc(Br)c1 2336541620 OWSGEKOPCYCSSZ-UHFFFAOYSA-N 474.461 4.898 50 10 JJGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1 14028040 HAFYYWZTTKRQNI-UHFFFAOYSA-N 461.587 4.512 50 10 JJGE COc1cc(/C=N\NC(=O)CNc2ccccc2C)ccc1OC(=O)c1ccccc1Br 33155066 VDAGWFZUXSIQRL-VYYCAZPPSA-N 496.361 4.548 50 10 JJGE Cc1ccc2nc(N3CCC(C(=O)NNc4ccc([N+](=O)[O-])cc4)CC3)nc(-c3ccccc3)c2c1 35549512 IECVTDFHRNKRMD-UHFFFAOYSA-N 482.544 4.873 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1OCC 38679073 AUISJDFNCRECPI-MHZLTWQESA-N 486.524 4.687 50 10 JJGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1 38680328 XBVVWWCJCFJLPI-QHCPKHFHSA-N 480.879 4.690 50 10 JJGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811673 IPDZSVITCMIICZ-SGWCAAJKSA-N 461.949 4.910 50 10 JJGE Cc1c(C(=O)N2CCCC[C@@H]2C)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823174 GYGBVWPZVASEEE-HCBCMMOUSA-N 485.400 4.592 50 10 JJGE C#CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OCC 59335614 YLBKOFSZNNJSMK-BOPFTXTBSA-N 486.309 4.556 50 10 JJGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2OC)cc1OC 206502945 WMFSVWRHIUDWJB-OUEVAZRFSA-N 478.545 4.543 50 10 JJGE COc1ccccc1/C=C(/C#N)C(=O)N(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 207133305 SRMBFGVFHYLVRR-JWGURIENSA-N 460.555 4.950 50 10 JJGE COCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)C1=O 214289699 UVYWKISOOSJFDD-XYGWBWBKSA-N 480.568 4.785 50 10 JJGE O=C(NN=Cc1ccc(OC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1)c1ccccc1 254622058 CDNDPVFBXNZAQB-QHCPKHFHSA-N 463.537 4.998 50 10 JJGE CCCC(=O)[C@H](Br)Cc1ccc(I)cc1Br 300905624 NNAJHNDULQKOFW-LLVKDONJSA-N 459.947 4.729 50 10 JJGE O=S(=O)(Nc1cc(Br)ccc1I)c1cccc(CCl)c1 312357564 NUFXZZUDTWKYDM-UHFFFAOYSA-N 486.556 4.593 50 10 JJGE CN(C)c1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1 382705470 FHCIVHAMLOMDSF-AZUAARDMSA-N 464.347 4.540 50 10 JJGE CN(c1ncc(C(F)(F)F)cc1I)[C@H]1CCCC[C@H]1Br 686110031 YMYFLAFYXXCUDR-KOLCDFICSA-N 463.079 4.847 50 10 JJGE C[C@@H](Br)[C@H]1CCCN(C(=O)c2cc(Br)ccc2Br)C1 689044005 QFLYBCDBBCNYLF-ZJUUUORDSA-N 454.000 4.847 50 10 JJGE C[C@H]1CCC[C@](CBr)(NC(=O)c2cccc(F)c2I)C1 721672573 NBIKTKIPFOCLLP-BONVTDFDSA-N 454.121 4.504 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(OCC)cc3)c2C)cc1 1083886621 MFTYUVSHIFJLIP-SANMLTNESA-N 463.578 4.855 50 10 JJGE CCc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)cc1 1772743662 FUTPZZMSMHKQPJ-UHFFFAOYSA-N 461.474 4.748 50 10 JJGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772746075 OUZXAWZLVHGPGR-UHFFFAOYSA-N 465.893 4.693 50 10 JJGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772746444 UOZWUINFONQFJH-UHFFFAOYSA-N 490.991 4.674 50 10 JJGE Cc1ccc(O)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)c1 1865686867 CUYVHBDKMJPJRQ-MRXNPFEDSA-N 491.267 4.886 50 10 JJGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701742 DGDJZCVJDJJHQB-FQEVSTJZSA-N 483.341 4.953 50 10 JJGE C[C@H]1CC[C@](CBr)(NC(=O)c2ccc(I)c(Cl)c2)C1 1880939429 ORZMHWZXEOMDHP-XPTSAGLGSA-N 456.549 4.628 50 10 JJGE C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br 2009622282 OYSJFPQDVIBSQU-LBPRGKRZSA-N 477.218 4.926 50 10 JJGE CCN(C[C@](C)(CI)OCC(C)(C)OC(C)C)C(=O)OC(C)(C)C 2015768729 WXCZUCGRDHXERR-SFHVURJKSA-N 457.393 4.657 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC[C@@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2022140074 BRLUQBYJTUQPRJ-QFIPXVFZSA-N 477.737 4.908 50 10 JJGE Brc1cc([C@@H](Br)[C@@H]2CCn3ncnc3C2)sc1Br 2046632104 ZPXYHGXAOQWOIA-LDWIPMOCSA-N 456.001 4.563 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2cc(F)cc(F)c2)CC1 2083847257 IGHYTCYJBMBROH-UHFFFAOYSA-N 467.294 4.686 50 10 JJGE CCOc1ccc(Br)cc1[C@H](Br)c1cc(Br)n(C)n1 2094082028 JUCUCTVQSOEHLG-ZDUSSCGKSA-N 452.972 4.828 50 10 JJGE CCC(CC)(CBr)CN=[S@]1(=O)CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 2106788869 UFEJZPZDICQDTA-SIBVEZHUSA-N 451.471 4.829 50 10 JJGE O=S(=O)(c1cc(Cl)cc(CBr)c1Cl)N(Cc1ccccc1)[C@@H]1CCOC1 2123268664 FWFZDHONBDDKOQ-MRXNPFEDSA-N 479.223 4.868 50 10 JJGE CC1(C)[C@H](Br)CC[C@H]1NC(=O)c1ccc(I)c(Cl)c1 2142133616 HJKXHHDBYBEGGP-VXGBXAGGSA-N 456.549 4.627 50 10 JJGE CC(C)(C)N1C[C@H](Cc2ccc(I)c(Cl)c2)[C@@H](Br)C1 2142936704 KVQLJXLKYKNZOA-RYUDHWBXSA-N 456.593 4.981 50 10 JJGE O=C(N[C@@H]1CCCC[C@@H]1CCCl)c1cc(Br)ccc1I 2146741099 XHNWLBZXZBEWOZ-QMTHXVAHSA-N 470.576 4.971 50 10 JJGE CC1(C)CCN(C(=O)c2ccc(I)c(Cl)c2)C[C@H]1CBr 2148650071 FUPGDTHSKUKSBH-LLVKDONJSA-N 470.576 4.828 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2[C@H](Cl)CCC[C@H]2C1 2150969674 GOTUAHPICWPFBS-DMDPSCGWSA-N 468.560 4.533 50 10 JJGE CN(C[C@H](Cl)C1CCCC1)C(=O)c1ccc(Br)cc1I 2207273339 UOVOKSQWJXFSIF-ZDUSSCGKSA-N 470.576 4.923 50 10 JJGE CCC(CBr)(CBr)NC(=O)c1cc(F)c(Br)cc1Cl 2267802849 BOMKGWIOEHDSAB-UHFFFAOYSA-N 480.397 4.910 50 10 JJGE CC1(C)[C@@H](Br)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2277934752 BLHVXFGAGGOZOU-LBPRGKRZSA-N 454.000 4.529 50 10 JJGE CC(C)(C)[C@H]1[C@H](Br)CCN1C(=O)c1ccc(Cl)c(I)c1 2283668758 MDUMZUURHDHAPM-ZWNOBZJWSA-N 470.576 4.969 50 10 JJGE O=S1(=O)CCC([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)CC1 2288375661 GDWBDGFARLUSCD-NSHDSACASA-N 452.542 4.595 50 10 JJGE COc1cc(C)ccc1OCCOc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1Cl 2293993121 FPEGRRPVRPVLNY-UHFFFAOYSA-N 466.921 4.931 50 10 JJGE C[C@@H](Br)[C@@H](NC(=O)Cc1cc(Br)cc(Br)c1)C(F)(F)F 2295311413 KLOPEGVZGYPEQI-KSBSHMNSSA-N 481.932 4.585 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc(OC)c1OC 2314634368 ILULEFKUWCAIKU-MHZLTWQESA-N 498.535 4.858 50 10 JJGE CC(C)(C)OC(=O)NCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(F)cc2)cc1 2328835192 CBXLQZLCKHNDBK-UHFFFAOYSA-N 471.529 4.580 50 10 JJGE COc1ccccc1-c1csc(C(C#N)=C(O)CN2C(=O)COc3ccc(Cl)cc32)n1 2331282326 FCSMGSPEYHIQIY-UHFFFAOYSA-N 453.907 4.690 50 10 JJGE CC(C)c1ccc(OCC(=O)N/N=C/c2ccc(Br)cc2)c(Br)c1 12579869 FPMOYFKCOLIWKM-UFFVCSGVSA-N 454.162 4.864 50 10 JJGE C=C(C)Cn1c(SCC(=O)N/N=C(\C)c2ccco2)nnc1-c1ccc(Br)cc1 27520606 IQXBQBYMTCQFPL-HYARGMPZSA-N 474.384 4.509 50 10 JJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1 38658159 SHENWERCWVDPLY-QLXKLKPCSA-N 486.499 4.982 50 10 JJGE CC(C)c1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 40594691 KYPVCNIZYUGEAC-UHFFFAOYSA-N 471.861 4.570 50 10 JJGE COc1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1OC 40910840 IHFNUOYNZNGWHE-AFUMVMLFSA-N 469.335 4.662 50 10 JJGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(C(=O)O)cc1 59151686 AKKHZZPBANVABF-MUFRIFMGSA-N 490.556 4.799 50 10 JJGE COc1ccc(/C=C(/C#N)C(=O)Nc2sccc2C#N)cc1COc1ccc([N+](=O)[O-])cc1 98063495 AECLAHJOXVIKBE-YVLHZVERSA-N 460.471 4.661 50 10 JJGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 101338538 KVOMWTUGSPLIJZ-BUVRLJJBSA-N 493.523 4.982 50 10 JJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C2=O)cc1OC 101339307 XXODPYOSOSPCMH-PXLXIMEGSA-N 486.499 4.938 50 10 JJGE CCOC(=O)/C(C#N)=C1/S[C@H](Cc2cccc(C)c2)C(=O)N1c1ccc(Br)cc1 102974662 CIZOHIQWEIQESR-AZZGVMCLSA-N 471.376 4.747 50 10 JJGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2)cc1 205648445 RTLKCHVNULTMFV-YJJVZWIUSA-N 484.508 4.549 50 10 JJGE CC(=NNC(=O)c1c(O)ccc2ccccc12)c1cccc(NS(=O)(=O)c2ccccc2)c1 254447618 DQIOTOJFYCGEFX-UHFFFAOYSA-N 459.527 4.500 50 10 JJGE C[C@H]1CCc2c(sc3ncn(CC(=O)NN=Cc4cccc(Oc5ccccc5)c4)c(=O)c23)C1 254483589 HNWRISNAFULTQA-KRWDZBQOSA-N 472.570 4.525 50 10 JJGE COc1cc(C=NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)ccc1OCC(=O)N1[C@@H](C)CCC[C@H]1C 254490892 IJAZJUMLNZEFSA-QRVBRYPASA-N 497.661 4.814 50 10 JJGE Cc1cccc(C)c1N(CC(=O)NN=Cc1c2ccccc2cc2ccccc12)S(C)(=O)=O 263627861 WJFSFKBBAVPQJO-UHFFFAOYSA-N 459.571 4.526 50 10 JJGE BrCc1cc(Br)ccc1N1CC[C@@H](N2CCN(Cc3ccccc3)CC2)C1 380089152 KSHMWNLSPXXWOM-OAQYLSRUSA-N 493.287 4.741 50 10 JJGE CC(C)(C)OC(=O)NCCCC[C@@H]1C(=O)OC(=O)N1C(=O)OCC1c2ccccc2-c2ccccc21 381072101 PQNMPFJSCQTRTD-JOCHJYFZSA-N 494.544 4.978 50 10 JJGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N1CC[C@H](COCc2ccccc2)C1 383963472 COYDUVPIPOELIQ-KRWDZBQOSA-N 472.832 4.724 50 10 JJGE Cn1ncc([C@H](Br)c2cc(Br)cc3c2OCCC3)c1Br 688380814 ADPWVEMPKQJIOS-GFCCVEGCSA-N 464.983 4.754 50 10 JJGE CC(C)c1ccc(OCC(=O)NN=Cc2cc([N+](=O)[O-])ccc2Cl)c(Br)c1 1084458498 FIBLWPSJLIHZFC-UHFFFAOYSA-N 454.708 4.663 50 10 JJGE CC(=O)CCc1ccc(OCc2cccc(C(=O)NNc3ccc([N+](=O)[O-])cc3F)c2)cc1 1640126617 NXAZSQKJCZFJKG-UHFFFAOYSA-N 451.454 4.591 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)ccc1O 1865681678 SZKZDVDSOFTGLK-GOSISDBHSA-N 456.424 4.522 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(Cl)c(Cl)c1 1865686063 QLLFDEHKUJAQSW-CQSZACIVSA-N 452.223 4.811 50 10 JJGE CCCc1nn(CCC)c2c1[C@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865696946 LVFRLSCFRNMRLF-GOSISDBHSA-N 475.387 4.634 50 10 JJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCCC(=O)c2cccs2)cc1 1866794399 UCUPOLVZZLHSCU-OAQYLSRUSA-N 493.610 4.746 50 10 JJGE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@@H](C)C2CCCC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867017195 JUKAQELXCMBIKU-BXKMTCNYSA-N 479.602 4.677 50 10 JJGE C[C@H](NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867193762 DSTJFQCMIYKTMC-INIZCTEOSA-N 482.569 4.604 50 10 JJGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)C(=O)[C@H](Br)C2CCCC2)C1 1974639336 AMEVWENXUPUDMR-LJQANCHMSA-N 467.404 4.520 50 10 JJGE O=C(NC[C@]1(F)C[C@@H](CBr)C1)c1cc(Br)c(Br)s1 2049527247 AMGDXFVZLGJUMH-JCJUMFQOSA-N 463.992 4.516 50 10 JJGE Cc1ccc(F)c(Cn2nc(CBr)c(I)c2C(F)(F)F)c1 2079245394 DAPLLPUQLBWLPI-UHFFFAOYSA-N 477.037 4.897 50 10 JJGE CN(C1CC(OCc2ccccc2)C1)S(=O)(=O)c1cc(CBr)ccc1Cl 2123200833 NQVMHQUVXJTFTA-UHFFFAOYSA-N 458.805 4.603 50 10 JJGE CC(C)[S@](=O)(=NC[C@@H](CBr)C1CCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2126849691 IVPOAQBMZVBNPV-COLOXBMXSA-N 451.471 4.683 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1cc(Br)c(Br)s1 2139708997 SCPCAHLBBMVVHE-QHOPCYEYSA-N 472.040 4.955 50 10 JJGE CC1(C)CC[C@@H](CBr)N1C(=O)c1cccc(Br)c1Br 2140846502 MHEVUTGAGRVHMT-VIFPVBQESA-N 454.000 4.990 50 10 JJGE O=S(=O)(c1ccc(CCl)c(Br)c1)N(Cc1ccccc1)CC1CCOCC1 2152169025 MMCUGMXTPRZLGO-UHFFFAOYSA-N 472.832 4.805 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CC[C@H](CCl)C12CCC2 2190347330 NDQHOQAGMAKKQL-SNVBAGLBSA-N 468.560 4.677 50 10 JJGE BrC[C@@H]1C[C@@H]2OCCN(Cc3ccc(Br)cc3Br)[C@@H]2C1 2199761199 BGMRLRKVIMWGPW-VQISRLSMSA-N 468.027 4.586 50 10 JJGE C[C@@]12CC[C@@](CCl)(C1)N(C(=O)c1ccc(Br)cc1I)C2 2207264691 IOSIMDAUTAHEHY-CABCVRRESA-N 468.560 4.677 50 10 JJGE CCN(C(=O)c1ccc(Br)cc1I)[C@H]1CCC[C@H]1Cl 2224421930 OYVOXWWLSSLABQ-YPMHNXCESA-N 456.549 4.676 50 10 JJGE Cc1cc(Br)c([C@H](Br)[C@H]2CCS(=O)(=O)C2)c(C)c1Br 2227350585 IEQRQHBSLKSYQV-TVQRCGJNSA-N 475.040 4.699 50 10 JJGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Cl)c(Cl)c2)cc1 2295482952 HNHIMKCYJWPGFO-UHFFFAOYSA-N 481.383 4.981 50 10 JJGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2OC)cc1 2314634499 AJSDQXYGDJUXBW-AREMUKBSSA-N 484.508 4.549 50 10 JJGE Cc1ccc(CNCC(F)(F)C(F)(F)CI)cc1Br 2336530805 ADWCCDAHYOAZMC-UHFFFAOYSA-N 454.043 4.553 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@H]2CC[C@H]1C[C@H]2Br 2337070301 BCMXXOVHCIZARB-VDDIYKPWSA-N 451.984 4.600 50 10 JJGE CC(C)[C@H]1C[C@@H](Br)CN1C(=O)c1ccc(Br)cc1Br 2344615744 VJJZJWHPFIIGKI-ZWNOBZJWSA-N 454.000 4.846 50 10 JJGE CC(C)c1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 14040256 ZZNISWGWAMNJHY-GOSISDBHSA-N 451.567 4.557 50 10 JJGE Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)cc1C 39992968 CGGZDXOHQNOMAB-NBVRZTHBSA-N 454.461 4.788 50 10 JJGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 40812521 GTNLLHALWLWXNN-MWAVMZGNSA-N 456.477 4.998 50 10 JJGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816221 GSKPSOAECVBALX-JBASAIQMSA-N 468.513 4.624 50 10 JJGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2)c(OC)c1 40879008 LSPVENGTOAVAPE-XQNSMLJCSA-N 470.525 4.780 50 10 JJGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)cc1 206434023 MXFXPSHEROCZGB-NDWUGUBKSA-N 462.546 4.924 50 10 JJGE N#C/C(=C/NCc1ccc(Cl)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216489767 UZWLHAMOYDEOEO-DAFNUICNSA-N 471.004 4.771 50 10 JJGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)C(=O)NC2CCCCCCCCCCC2)c1 217259865 IAVUBBYCJDBSPN-ZZEZOPTASA-N 469.582 4.869 50 10 JJGE O=C(N[C@H]1CCCC[C@H]1CCl)c1cc(I)ccc1Br 231601226 YIKHXKVNEUHQSB-ZANVPECISA-N 456.549 4.581 50 10 JJGE CCC(CBr)(CBr)NC(=O)c1cc(Cl)cc(Br)c1 232853554 YJULXBPZILMMHN-UHFFFAOYSA-N 462.407 4.771 50 10 JJGE COc1cc(C=NNC(=O)c2ccc(COc3ccccc3Cl)o2)cc(Br)c1O 252642507 ZMIQLAVSYVOMIH-UHFFFAOYSA-N 479.714 4.753 50 10 JJGE CCCC(=O)[C@H](Br)Cc1cc(Br)ccc1I 300908901 PZOOHPOMJRJRRD-SNVBAGLBSA-N 459.947 4.729 50 10 JJGE O=C(NC[C@@H]1CCCC[C@@H]1Br)c1scc(Br)c1Br 705408475 IFQWNLFSEHUBRU-YUMQZZPRSA-N 460.029 4.957 50 10 JJGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1C 789993677 RXHDWKPRKRQEAI-MIDMBNTASA-N 472.593 4.843 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)NC[C@@H](c2ccco2)N2CCCC2)c(-c2ccc(Cl)cc2)n1 834677008 CFGHDRAWUCLMDF-FIWMFUAISA-N 488.979 4.570 50 10 JJGE C=CC[C@H](Cc1ccccc1)NC(=O)NNC(=O)Nc1ccc(Br)cc1Cl 1470489413 ILMPLMGAXHCRTF-OAHLLOKOSA-N 451.752 4.626 50 10 JJGE COc1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C#N)cc2Br)cc1OC 1866130310 NTXWACZOKHOHML-WLRTZDKTSA-N 491.139 4.646 50 10 JJGE Cc1nn(C)c([C@@H](Br)[C@@H](C)c2ccncc2Br)c1Br 1877175263 LTHPNGFAZQIKPC-CPCISQLKSA-N 451.988 4.888 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)Cc1cc(Br)cc(OC2CC2)c1 1900518022 DQNUVVCDXIEGDR-AWEZNQCLSA-N 479.168 4.593 50 10 JJGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCCCS2(=O)=O)c1Br 1922898820 YGCRUSZRVSOKLW-IONNQARKSA-N 481.069 4.985 50 10 JJGE O=S1(=O)CC[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924571850 VDGNJRIDMGNZBD-CVYQJGLWSA-N 473.433 4.503 50 10 JJGE C[C@@H]1CN(C(=O)c2scc(Br)c2Br)[C@H](C)C[C@@H]1Br 2032207035 KTUANARECCWQSU-PRJMDXOYSA-N 460.029 4.907 50 10 JJGE O=C(N[C@H](CBr)C1CCCC1)c1csc(Br)c1Br 2032958396 COVRCSIXLHNYFV-SECBINFHSA-N 460.029 4.957 50 10 JJGE O=C(c1csc(Br)c1Br)N1CC[C@H](Br)CC12CC2 2050617403 BXBGCLSAKZNNSG-ZETCQYMHSA-N 458.013 4.805 50 10 JJGE O=C(CBr)c1c(I)cc(OC(F)(F)F)cc1C(F)(F)F 2055150389 HFWVGLAGQGOVRP-UHFFFAOYSA-N 476.936 4.786 50 10 JJGE CN([C@@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Cl 2123201231 UFNFVNVZJPNHBP-MSOLQXFVSA-N 458.805 4.603 50 10 JJGE FC1(F)CCN(Cc2ccc(I)c(Cl)c2)C[C@@H]1CBr 2142950884 VPZXFAUSXOBEDZ-JTQLQIEISA-N 464.519 4.797 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CCC2(CC1)C[C@@H]2CBr 2148910617 SCEDFRWJZFDKRF-SNVBAGLBSA-N 466.011 4.849 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H](C(F)(F)F)[C@@H](CCl)C1 2163349771 XZGRRVYCFOVMEU-NTSWFWBYSA-N 455.521 4.762 50 10 JJGE Cc1nn(C)c(Br)c1COc1c(F)cc(Br)cc1CBr 2185796312 XYDQGHFLSLJXHQ-UHFFFAOYSA-N 470.962 4.867 50 10 JJGE CC1(C)C[C@@](C)(CBr)CN1C(=O)c1ccc(I)c(Cl)c1 2199537584 CWNSRMFQZYRXBI-HNNXBMFYSA-N 470.576 4.970 50 10 JJGE Cc1ccc(C(=O)N[C@H](CBr)C2CCCCC2)cc1I 2232822828 DKFLCUHVULYPNL-OAHLLOKOSA-N 450.158 4.673 50 10 JJGE CN(CC1CC(Br)C1)C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2241637984 QORHZXUBNHBLTE-UHFFFAOYSA-N 485.422 4.937 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1CN(CC2(CBr)CC(F)C2)CC[C@@H]1C(F)(F)F 2280358763 HDOQKPVHQBGTQC-PEUXKQIOSA-N 461.338 4.525 50 10 JJGE Cc1cc(C=C(C#N)C(=O)O[C@H](C(N)=O)c2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 2297431091 KNFLFERAYFMTPN-QFIPXVFZSA-N 496.336 4.673 50 10 JJGE N#CC(=Cc1ccc(O)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571136 OBIAOGUXPYCZNE-UHFFFAOYSA-N 459.070 4.849 50 10 JJGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c(OCC)c1 2314735881 HXTGZNFUBVBOGI-MRXNPFEDSA-N 457.910 4.890 50 10 JJGE N#CC(=Cc1ccc(OC(=O)CSc2ccc(Cl)cc2)cc1)C(=O)NCc1ccco1 2314770786 HCJWGNYFHSQKOY-UHFFFAOYSA-N 452.919 4.854 50 10 JJGE CN(Cc1ccc(Cl)c(I)c1)[C@H](CCBr)C(F)F 2315553313 QKTWDKUQOIRZCX-LLVKDONJSA-N 452.508 4.795 50 10 JJGE CO[C@H]1C[C@@H]([C@H](Br)c2sc(Cl)cc2I)C[C@H]1OC 2316768112 WEKIBFMJWIVQBA-HLFIEIIFSA-N 465.578 4.882 50 10 JJGE O=C(CSc1nc(O)c2c(-c3ccccc3)csc2n1)NN=Cc1ccc(Cl)cc1 2320486442 QSPVPNOWQVJHJW-UHFFFAOYSA-N 454.964 4.960 50 10 JJGE Brc1cc(CN2C[C@H]3C[C@H]2CC[C@@H]3Br)ccc1I 2325208692 XJDFVHQIPROGIS-UTUOFQBUSA-N 485.001 4.802 50 10 JJGE Brc1cc(CN2C[C@H](Br)CC23CCC3)ccc1I 2325218608 QLYSJUVCMYHBRY-LLVKDONJSA-N 485.001 4.946 50 10 JJGE ClCC1C[C@@H]2C[C@H](C1)CN(c1ncc(I)cc1Br)C2 2342493432 PXUSINJJYTZULL-FGWVZKOKSA-N 455.565 4.540 50 10 JJGE Fc1cc(CBr)c(N2CC[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cc1Cl 2362385303 IGFLAWJZKMHDBX-RTWAWAEBSA-N 453.783 4.854 50 10 JJGE COc1c(Br)cc(C)c([C@H](Br)[C@]2(C)COCCO2)c1Br 2365217981 IYUBYQWVKORWLR-KBPBESRZSA-N 472.999 4.770 50 10 JJGE COc1c(Br)cc(C)c([C@@H](Br)[C@]2(C)COCCO2)c1Br 2365217982 IYUBYQWVKORWLR-KGLIPLIRSA-N 472.999 4.770 50 10 JJGE O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 3115546 YZVRXUFVLLDFGI-KIBLKLHPSA-N 450.709 4.787 50 10 JJGE CCOC(=O)c1sc(NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)c(SC#N)c1C 10021152 QJVUFPAIQGUWDQ-UHFFFAOYSA-N 487.024 4.652 50 10 JJGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1Br 14650793 GOPOTNHDBXWPRY-UHFFFAOYSA-N 484.188 4.711 50 10 JJGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccc(C)cc1C 14768511 HMVXOKYYEZWJIP-RUZDIDTESA-N 473.573 4.694 50 10 JJGE CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccccc1F 32520555 CXWFQCVGRVRJLI-MZJWZYIUSA-N 478.549 4.922 50 10 JJGE COc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)/C=C\c2ccccc2)cc1 34779989 MQLFLKUYRKAPSE-WGIBGOSLSA-N 479.330 4.840 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@@H]1c1cccc(Br)c1 38651562 JXZBLFSAOIRFAS-NRFANRHFSA-N 492.285 4.795 50 10 JJGE CCCCc1ccc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2N)cc1 40680178 JPIZSGXKHUUOCD-UHFFFAOYSA-N 455.360 4.664 50 10 JJGE COc1cc(/C=N/NC(=O)COc2ccc(C)cc2)cc(Br)c1OCc1ccccc1 40912365 NUOPGJIPYVFHEL-VULFUBBASA-N 483.362 4.874 50 10 JJGE COc1ccc(/C(C)=N/NC(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c(OC)c1 97729944 WLYUXMDJJAUVDG-JFLMPSFJSA-N 451.910 4.764 50 10 JJGE O=c1[nH]c2cc(Br)c([C@H](Cl)c3csc(I)c3)cc2[nH]1 124434222 PWNIGKZADCVOEG-LLVKDONJSA-N 469.529 4.613 50 10 JJGE C[Si]1(C)O[Si](C)(C)O[Si](C)(CCCOCC(F)(F)C(F)F)O[Si](C)(C)O1 196549647 AHZZUAXHQAGWOX-UHFFFAOYSA-N 454.714 4.551 50 10 JJGE C[C@H](Cl)C1CCN(C(=O)c2cc(Br)ccc2I)CC1 235491495 JUXGBLGCZIDVOM-VIFPVBQESA-N 456.549 4.533 50 10 JJGE O=C(NC[C@H]1CCCC[C@@H]1CCl)c1cc(I)ccc1Br 236012886 DCURNOWWUYVGLM-GHMZBOCLSA-N 470.576 4.829 50 10 JJGE Nc1nnc(SCC(=O)N/N=C(\Cc2ccccc2)c2ccc(-c3ccccc3)cc2)s1 253562645 DNBXYIKAIYJNBC-YYADALCUSA-N 459.600 4.643 50 10 JJGE CCOc1ccc(Br)cc1[C@@H](Cl)c1cnn(C)c1I 393643376 CXRKEDUFPGPJPB-GFCCVEGCSA-N 455.521 4.514 50 10 JJGE COc1ccc(CCCNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 918175732 ALTYMOPDQAXJNR-PGMHBOJBSA-N 473.964 4.782 50 10 JJGE O=C(CN1CCCCC1)NN=Cc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 1772742859 ZYXSNHJACMOGIE-UHFFFAOYSA-N 486.801 4.649 50 10 JJGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NCc4ccccc4Cl)c(C)c32)cc1 1772746561 WMCRNPPPOVWCST-UHFFFAOYSA-N 465.937 4.650 50 10 JJGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cccc(Cl)c4)c(C)c32)c1 1772750193 WYUKGTKNLVAFBO-UHFFFAOYSA-N 451.910 4.973 50 10 JJGE CCOc1ccc(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858686655 CUELXXVSCTXKHR-AWEZNQCLSA-N 484.440 4.545 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1cc(Br)ccc1O 1865696702 QGVPTZZOTPRMDY-MRXNPFEDSA-N 491.267 4.636 50 10 JJGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865699342 RCRWDPWSHKJWQY-DEOSSOPVSA-N 474.524 4.653 50 10 JJGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1 1872752372 ZKZUFSHIQOEKES-VZCXRCSSSA-N 474.498 4.931 50 10 JJGE CC(C)(C)OC(=O)NCC1CC([S@@](C)(=O)=NCC2(CBr)CCCCC2)C1 1877586855 CJLXVKVJDBLUGR-JFABZJLCSA-N 451.471 4.733 50 10 JJGE O=C(N[C@H](CCBr)C(F)(F)F)c1cccc(Br)c1Br 1918514688 FQBPCFKQVHMSBN-MRVPVSSYSA-N 467.905 4.657 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 2010826037 VNMZUTQKHCFYTC-ROUUACIJSA-N 477.737 4.956 50 10 JJGE Fc1ccc(Br)c(CO[C@H](CCl)[C@@H](I)CCl)c1 2025680588 JDRFFJPDHCWRHE-WDEREUQCSA-N 455.920 4.755 50 10 JJGE COc1ccc(CCl)cc1S(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2034747968 FBJLNBNDQHLODI-UHFFFAOYSA-N 473.038 4.757 50 10 JJGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(F)cc1F 2057404647 UJDDEJWPSFFIDV-UHFFFAOYSA-N 452.748 4.983 50 10 JJGE Brc1cc(I)cnc1N1CC[C@]2(CCC[C@H]2Br)C1 2069533099 FHMPCUFHKPHWKS-DGCLKSJQSA-N 485.989 4.593 50 10 JJGE O=C(c1scc(Br)c1Br)N1CC[C@H](Br)[C@H]2CC[C@@H]21 2069990855 JCOPNLQYYYKIQK-FJXKBIBVSA-N 458.013 4.661 50 10 JJGE CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12CI 2080598061 FSCNQGWVBRCFHP-FZGUVIJVSA-N 498.401 4.682 50 10 JJGE CN(C(=O)c1c(Br)cccc1Br)[C@H]1CCCC[C@@H]1Br 2094088062 HCMOGIDEARLPRA-CABZTGNLSA-N 454.000 4.990 50 10 JJGE Cn1nc([C@H](Br)c2cc(I)cc3c2OCC3)c(Cl)c1Cl 2150720057 IQJZKUJRUMRTHN-SECBINFHSA-N 487.950 4.751 50 10 JJGE Cc1cccc(C(=O)N(CCBr)Cc2cccs2)c1I 2171090068 CLGOZXJERXDOPM-UHFFFAOYSA-N 464.166 4.698 50 10 JJGE COc1cccc(Br)c1C(=O)N[C@@H](C)CCCCCI 2174529644 LOZOWOYOVHUDMA-NSHDSACASA-N 454.146 4.571 50 10 JJGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@@H]1C[C@H](CCl)C2 2207261995 ONPRXGRIWLIADT-YHPBZONMSA-N 468.560 4.676 50 10 JJGE C[C@H](Br)CN(c1ncc(I)cc1Br)C(C)(C)C 2250591710 NFFBLWJSWJVBIR-QMMMGPOBSA-N 475.994 4.837 50 10 JJGE O=S1(=O)CC[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299529425 BKLUDEZASCDWJY-KSSFIOAISA-N 474.214 4.899 50 10 JJGE COc1ccccc1C=C(C#N)C(=O)N(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 2314777759 SRMBFGVFHYLVRR-UHFFFAOYSA-N 460.555 4.950 50 10 JJGE ClCc1csc(CCOc2cc(Br)cc(I)c2)n1 2316688883 TYWNQZGLEGSKQX-UHFFFAOYSA-N 458.546 4.871 50 10 JJGE CC(C)(C)OC(=O)NCC[C@@H]1CCN(C[C@@H](CBr)C2CC2)[C@@H](C(F)(F)F)C1 2362814265 QETQURZBUCWKFT-FVQBIDKESA-N 457.375 4.965 50 10 JJGE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(C[C@@]1(CBr)CC1(F)F)CC2 2379985944 MACZBOMANNFXBQ-KXBFYZLASA-N 451.396 4.764 50 10 JJGE O=C(NC(=S)NNC(=O)c1sc2ccccc2c1Cl)c1cc(Cl)cc(Cl)c1 10505904 UKYTVYKCPDVAED-UHFFFAOYSA-N 458.779 4.811 50 10 JJGE C=CCc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCCC)c(OC)c1 20595649 IAKIUHFVJLSYDU-ZVHZXABRSA-N 461.356 4.504 50 10 JJGE Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccccc3)c(Oc3ccccc3Cl)nc12 33583977 VLYNSULPCNOQQA-XMHGGMMESA-N 470.916 4.672 50 10 JJGE CCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OC 38608526 UULNMMUSNUCUGK-CIAFOILYSA-N 488.540 4.785 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@@H]1c1cccc(Br)c1 38651464 YFKBZDUZEIXCSD-QHCPKHFHSA-N 477.314 4.652 50 10 JJGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1 38682200 LIHOVLISINSMJD-VWLOTQADSA-N 458.539 4.920 50 10 JJGE CCc1ccccc1Nc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40587132 AKNXSHVIHYKYAQ-UHFFFAOYSA-N 477.308 4.520 50 10 JJGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Oc1cccc2ccccc12 40683341 ZADSKQZAZXCHRI-UHFFFAOYSA-N 470.316 4.833 50 10 JJGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(F)cc1 58887910 OBXADLOYHPUPIT-TYNJROEQSA-N 450.510 4.767 50 10 JJGE O=S(=O)(NC[C@@H]1CCC[C@@H]1CBr)c1c(Cl)cc(Br)cc1Cl 136720893 IOCSKOGQYISMQU-BDAKNGLRSA-N 480.049 4.845 50 10 JJGE CCOc1ccccc1/C=C/C(=O)Oc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1OC 207000778 OQVTXHBAAZARJQ-COYSUQGBSA-N 472.497 4.529 50 10 JJGE O=C(NC[C@H]1CCC[C@H](Cl)C1)c1cc(Br)ccc1I 227733768 HLUXGOVUZZROOH-ONGXEEELSA-N 456.549 4.581 50 10 JJGE COc1ccc(C(=O)Oc2c(Cl)cc(C=NNC(=O)c3ccc(Cl)cc3)cc2OC)cc1 252617220 KOQCZHTXQSPECO-UHFFFAOYSA-N 473.312 4.994 50 10 JJGE Cc1ccc(-n2c(SCC(=O)NN=C/C=C\c3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)cc1 254791049 OXSVAPMZXXCHLF-BXQPIBQHSA-N 499.552 4.510 50 10 JJGE CC(=O)Oc1ccc(C(C)=NNC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)cc1 254867431 DKWKJYIAKRCHSO-UHFFFAOYSA-N 486.597 4.951 50 10 JJGE FC(F)(F)COCC[C@H](Br)c1cc(I)cc2c1OCC2 312266769 FOSFAEDMOLTDHZ-NSHDSACASA-N 465.047 4.631 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2cccc(Br)n2)C1 382711191 HFZFAKJMPVHRCR-HUUCEWRRSA-N 454.162 4.591 50 10 JJGE COc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1C 382729273 SWCIOBLJGPBGHV-RTBURBONSA-N 465.331 4.791 50 10 JJGE Cc1nnc(CC(CBr)(CBr)c2ccc(Br)cc2)s1 698600516 TXDITFIOEJZTLM-UHFFFAOYSA-N 469.040 4.879 50 10 JJGE O=C(N[C@H]1CCCC[C@H]1CCl)c1ccc(I)c(Br)c1 721620824 PAMSXYSRIDLQES-GWCFXTLKSA-N 456.549 4.581 50 10 JJGE COc1cccc(OCC(=O)NN=Cc2cccc(OC)c2OCc2c(F)cccc2Cl)c1 1083932401 QFJYHFOUUGZSSE-UHFFFAOYSA-N 472.900 4.604 50 10 JJGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746494 WKMQYPSMDRLLDP-HNNXBMFYSA-N 472.501 4.558 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccncc2)C(C#N)=C(N)O3)cc1 1865702136 NPTWFFLJAIBZQN-NRFANRHFSA-N 455.905 4.814 50 10 JJGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702488 VZZBCOMGQJPVEW-IBGZPJMESA-N 471.305 4.753 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccncc2)C(C#N)=C(N)O3)cc1 1865702499 WCMFVULMRHDSKU-JOCHJYFZSA-N 469.932 4.874 50 10 JJGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865704390 UUHOOKTXTJYRRI-HSZRJFAPSA-N 478.508 4.773 50 10 JJGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 1865759774 RKIYIWDHPIWQSM-UHFFFAOYSA-N 473.479 4.989 50 10 JJGE CCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)cc(C)c1Br 1984636914 DTKUSLRPSDHJPS-UHFFFAOYSA-N 461.219 4.863 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCN(Cc2ccccc2)C2(CC2)C1 1985346358 AWFTYZHFNIXNSG-FQEVSTJZSA-N 451.702 4.679 50 10 JJGE CC1(C)C[C@@H](CBr)N(C(=O)c2csc(Br)c2Br)C1 2033723685 QKHQCNFNBBJDTM-ZETCQYMHSA-N 460.029 4.909 50 10 JJGE FC(F)(F)c1c(I)ccc(I)c1CBr 2060240729 QVTWHPZPIMNCJN-UHFFFAOYSA-N 490.826 4.810 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@H](Br)CC12CC2 2113558362 IUBHSCLAGODILY-VIFPVBQESA-N 451.984 4.744 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNc1ccnc2cc(Br)cnc12 2125301262 CGTZGHQISMRLJJ-UHFFFAOYSA-N 459.435 4.710 50 10 JJGE CC1(C)C[C@@H](Cl)CCN1C(=O)c1ccc(Br)cc1I 2142289158 XMSVTRLELVOUPY-JTQLQIEISA-N 456.549 4.676 50 10 JJGE CCCN1CCC[C@@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2)S1(=O)=O 2145782394 UPVURFLZBJSARY-SFTDATJTSA-N 452.414 4.906 50 10 JJGE CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)c(CBr)c1 2179793651 XEZGSRHJAJSUJN-UHFFFAOYSA-N 471.848 4.520 50 10 JJGE Cc1ccc(I)c(C(=O)N[C@H](CBr)CC2CCCC2)c1 2240912301 HWEPJMBUNJZNPV-ZDUSSCGKSA-N 450.158 4.673 50 10 JJGE CS(=O)(=O)C1CC([C@@H](Br)c2cc(Br)sc2Br)C1 2249071836 NGRBZNNGBKZJNX-GVNUUABZSA-N 467.042 4.532 50 10 JJGE C[C@]1(CBr)C=CCCN1C(=O)c1ccc(Br)cc1I 2264400075 WZBVMVYDEWIPDJ-CQSZACIVSA-N 498.984 4.609 50 10 JJGE CC(C)(C)n1c(CBr)nnc1-c1ccc(Cl)c(I)c1 2268283604 GMLCKQRDQNCFER-UHFFFAOYSA-N 454.537 4.853 50 10 JJGE Cc1ccccc1NC(=O)C(C#N)=Cc1cc(Br)c(OCC(=O)O)c(Br)c1 2294146916 BTRKJQQPUNFZNC-UHFFFAOYSA-N 494.139 4.529 50 10 JJGE CCOc1ccccc1NC(=O)C(C#N)=Cc1cc(Br)c(O)c(Br)c1 2297382044 RLHFDPHBXOJZJK-UHFFFAOYSA-N 466.129 4.862 50 10 JJGE C[C@@H](Br)[C@@H]1CCCN1Cc1ccc(I)c(Br)c1 2306217673 RZHROHRAJPALPF-RNCFNFMXSA-N 472.990 4.802 50 10 JJGE C[C@@H]1CN(Cc2ccc(I)c(Br)c2)CC[C@H]1Br 2306231688 LYQOACRCBQHSGU-MWLCHTKSSA-N 472.990 4.659 50 10 JJGE O=C(C=Cc1ccccc1Cl)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 2313621034 GYZZOAXKIGKXQQ-UHFFFAOYSA-N 486.808 4.541 50 10 JJGE BrC[C@H]1C[C@@]2(CCN2Cc2ccc(I)c(Br)c2)C1 2325208669 IOWRTTGNWHBZHY-YEORSEQZSA-N 485.001 4.803 50 10 JJGE CC(C)c1nc(Br)c(Br)n1C[C@]1(CBr)CC1(F)F 2326881538 AUSQSOYKFIIMAF-SNVBAGLBSA-N 450.947 4.952 50 10 JJGE N#CC(=Cc1ccc(Cl)cc1)C(=O)NC[C@H](c1ccccc1)S(=O)(=O)c1ccccc1 2329647155 RISBTAYIQGRIDE-HSZRJFAPSA-N 450.947 4.578 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)cc1OC 2331242721 DIAPDSDBLYSCEU-UHFFFAOYSA-N 452.492 4.751 50 10 JJGE CC[C@]1(C)[C@@H](Br)CCN1C(=O)c1cc(Br)cc(Br)c1 2336763412 BQLHXYYLMCBCKK-GXTWGEPZSA-N 454.000 4.990 50 10 JJGE COc1cc([C@H](Br)c2cc(I)sn2)c(OC)cc1Cl 2338227761 RHRHPVZVOUNKGL-LBPRGKRZSA-N 474.545 4.903 50 10 JJGE C[C@@H]1[C@H](Br)CCN(C(=O)c2cc(Br)ccc2Br)[C@@H]1C 2344521176 SHKRBHHXFBOXJO-YGOYTEALSA-N 454.000 4.846 50 10 JJGE C[C@H](Br)c1ccccc1NC(=O)c1c(Br)c(Br)nn1C 2364019784 WJFNTZVZCJTQAX-ZETCQYMHSA-N 465.971 4.653 50 10 JJGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1cc2c(cc1Br)OCC2 2364063225 HCZXRTSSBRGYDK-LLVKDONJSA-N 485.401 4.971 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1C[C@H]2C[C@@H](Br)CC[C@H]2C1 2365589775 ZGENOJKKZDNOPH-AXFHLTTASA-N 468.560 4.580 50 10 JJGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)COc1ccc(Cl)cc1Cl 10682873 RSHFMWMVNVNVMC-KSSFIOAISA-N 453.366 4.891 50 10 JJGE C=CCOc1ccccc1C(=O)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 14665604 SBBAFXFSBGIQLS-UHFFFAOYSA-N 495.373 4.710 50 10 JJGE COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)c1C 22152641 HSZPFEAPLNUZCZ-QASGWYSQSA-N 471.985 4.682 50 10 JJGE COc1ccc2cc(Br)ccc2c1CC(=O)NNC(=O)c1cccc2ccccc12 35550884 HIJRPNFSWYRMKO-UHFFFAOYSA-N 463.331 4.768 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3cccc(C)c3)c(OC)c2)cc1 58893243 KKNXJBMNIUJDTQ-MAGAZJOKSA-N 476.573 4.945 50 10 JJGE CCOC(=O)C(C#N)=C1/C(=C\c2ccc(C(=O)OC)cc2)CC/C1=C/c1ccc(C(=O)OC)cc1 97995148 QJGQZEVTVRLXHU-OZKZUFLSSA-N 471.509 4.904 50 10 JJGE COc1cc2c(cc1OC)[C@H]([P+](c1ccccc1)(c1ccccc1)c1ccccc1)OC2=O 142891737 VLGWOOFIOIKOBR-NDEPHWFRSA-N 455.470 4.867 50 10 JJGE O=C=NC[C@@H]1CCC[C@@H](CNC(=O)NCCc2c[nH]c3cc(OCc4ccccc4)ccc23)C1 170288879 UFCXQRKHXXAHFG-FGZHOGPDSA-N 460.578 4.731 50 10 JJGE O=C(N[C@H](CCl)C1CCCCC1)c1cc(Br)ccc1I 386278393 QIMJKIYHMNZYGM-CQSZACIVSA-N 470.576 4.971 50 10 JJGE CC(C)(C)C[C@H](CBr)NC(=O)c1cc(Cl)ccc1I 393478012 MUMUDAXFRJFOFY-SNVBAGLBSA-N 458.565 4.874 50 10 JJGE O=C(CBr)c1cc(I)c(C(F)(F)F)c(C(F)(F)F)c1 575340499 HJZGYLOAZSIBPQ-UHFFFAOYSA-N 460.937 4.906 50 10 JJGE CC1(C)C[C@H](NS(=O)(=O)c2cc(Cl)c(Br)s2)C[C@H](Br)C1 693842763 WRJWXTIBYKADHR-JGVFFNPUSA-N 465.660 4.785 50 10 JJGE COC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(OC)c1 1081085444 NCPXKKLUNJHABE-AUWJEWJLSA-N 481.140 4.879 50 10 JJGE CCN(CC)c1ccc(C=NNC(=O)COc2ccc(Br)cc2Br)cc1 1083896274 JFLVRBGXXOJGRY-UHFFFAOYSA-N 483.204 4.587 50 10 JJGE CC(=O)N1CCCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2ccccc21 1523629592 KMIMOCSMDRCQAH-CJLVFECKSA-N 456.521 4.930 50 10 JJGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNC(=O)c1ccncc1)CCC2 1772746237 SPJLNNGPSNSCHZ-UHFFFAOYSA-N 479.540 4.937 50 10 JJGE CCc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747059 KZWFNKVIOUHNPV-UHFFFAOYSA-N 474.517 4.710 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682226 JDQVLNFASOSFRR-DEOSSOPVSA-N 498.514 4.678 50 10 JJGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1865700251 NWLWPZAQWFKPIO-OAQYLSRUSA-N 455.905 4.814 50 10 JJGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(OC)c1)C(C#N)=C(N)O2 1865705864 HVKAVDZXDALFDB-DEOSSOPVSA-N 452.514 4.910 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc(Cl)c1O 1865707168 PPUIQWLNLDPUJG-JOCHJYFZSA-N 458.905 4.920 50 10 JJGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 1865759812 SYQCGRGJWARICX-LBPRGKRZSA-N 480.298 4.871 50 10 JJGE BrCCN(c1ncc(I)cc1Br)C1CCCCC1 2069525347 HFSBKIOXJCOXFS-UHFFFAOYSA-N 488.005 4.983 50 10 JJGE CCOC(=O)C12CC(CI)(C1)O[C@H]2C(c1ccccc1)c1ccccc1 2080415679 AVNUNNRGSZTJBX-KPQWGBOZSA-N 462.327 4.734 50 10 JJGE CC(C)(C)OC(=O)N1CC2(CCS(=O)(=NC[C@H](CBr)C(C)(C)C)CC2)C1 2119540283 FFIVIECZVXZVEI-HNNXBMFYSA-N 451.471 4.543 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H]2CCC[C@H](Br)[C@H]2C1 2150957841 HTHKEEHIZLUTHF-HERUPUMHSA-N 466.011 4.847 50 10 JJGE O=C(NCC[C@H]1CCCC[C@@H]1Br)c1cccc(F)c1I 2179629640 NJXYBJWRMYLTDJ-PWSUYJOCSA-N 454.121 4.504 50 10 JJGE CCc1ccc(CBr)cc1S(=O)(=O)N(C)[C@H]1CC[C@@H]1OCc1ccccc1 2179857867 GADAPKFPKDWJAG-PMACEKPBSA-N 452.414 4.512 50 10 JJGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1ccc(I)c(Cl)c1 2185099793 KINDPRBIBONAIB-GWCFXTLKSA-N 470.576 4.969 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)NC1(CCCBr)CCC1 2295312760 ASFDONHHAIOELD-UHFFFAOYSA-N 468.027 4.968 50 10 JJGE Cc1ccc(C(=O)N[C@@H](CCCl)COCc2ccccc2)cc1I 2303700094 GDIYXBAMLHOFBY-KRWDZBQOSA-N 457.739 4.544 50 10 JJGE FC(F)(F)[C@H]1[C@@H](Br)CCCN1Cc1sccc1I 2320972473 IMGQTSQHNGWWEY-OIBJUYFYSA-N 454.093 4.643 50 10 JJGE CSCC[C@@H](Br)CCNC(=O)c1ccc(Cl)cc1I 2340065138 UFIPHKCTQISXBV-VIFPVBQESA-N 476.605 4.581 50 10 JJGE CC(C)[C@H](Br)C(C)(C)CNC(=O)c1c(F)cccc1I 2365866190 FTOQBUZGKLKETP-ZDUSSCGKSA-N 456.137 4.606 50 10 JJGE C[C@@H]1CC2CC(CO[C@H](CI)c3cccc(Br)c3)(C2)O1 2368113501 MSWCUYSLFRULJD-NPICMGTBSA-N 451.142 4.899 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2c(C)cccc2C)cc1Br 14640651 WODWGKITWXOPPV-UHFFFAOYSA-N 477.399 4.865 50 10 JJGE CCOc1ccc(Br)cc1C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14654959 OJPMYNZIVKROHQ-UHFFFAOYSA-N 490.181 4.775 50 10 JJGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 14768819 QNGFBXCKHVBBIO-RUZDIDTESA-N 473.573 4.957 50 10 JJGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc2c(c1)OCO2 58891832 YKXWYBIEMUHKHH-WYDFGVIMSA-N 472.541 4.687 50 10 JJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cc(C)ccc3C(C)C)cc2)cc1 254380080 GRHXPWBWIFKBEG-UHFFFAOYSA-N 460.530 4.875 50 10 JJGE COC(=O)c1cc(-c2ccc(-c3ccc(C(C)=NNC(N)=O)s3)s2)nc2ccccc12 254820289 WPUVRKPKHSHBDO-UHFFFAOYSA-N 450.545 4.871 50 10 JJGE O=C(CBr)c1cc(I)cc(C(F)(F)F)c1C(F)(F)F 514266990 QTISAZPRGLACBO-UHFFFAOYSA-N 460.937 4.906 50 10 JJGE C[C@@H]1CC([C@H](Br)c2cc(I)cc3c2OCC3)C[C@@H](C)O1 724390986 RVXKSNMWYXTGKW-FCHSOHFDSA-N 451.142 4.866 50 10 JJGE COC(=O)C[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C)c1cccs1 819808365 BONBRLQGJAQSDH-CNEDASOKSA-N 451.523 4.622 50 10 JJGE CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1 1083957791 DCOULZCSNLHHCV-LYBHJNIJSA-N 454.574 4.749 50 10 JJGE CC(C)[C@@H](NC(=O)NNC(=O)c1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 1318233454 SHDUMVIFUGDABV-MRXNPFEDSA-N 458.278 4.809 50 10 JJGE C=CC[C@@]1(C(=O)NNc2ccc(Br)cc2CC)CCCN1C(=O)OC(C)(C)C 1631496765 SBUBYYWBGFZCPI-NRFANRHFSA-N 452.393 4.800 50 10 JJGE C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@@H]4C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl 1848435309 PGAGVJAYRDPYKY-UNVQEIRESA-N 484.976 4.668 50 10 JJGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706165 PFUJVRBLAZTIFH-HXUWFJFHSA-N 467.888 4.803 50 10 JJGE COC(=O)c1c(NC(=O)CI)sc(C)c1-c1ccc(Br)cc1 1865947479 FZHASUSZCGSFEX-UHFFFAOYSA-N 494.148 4.646 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1 1873795078 QSFZDZCVJNZAFN-XYGFXTTESA-N 475.948 4.908 50 10 JJGE CC(C)(C)OC(=O)N1CC(N(C[C@@H](CBr)C2CCC2)OCc2ccccc2)C1 1884744779 WKQLFQYOTBTECA-LJQANCHMSA-N 453.421 4.851 50 10 JJGE C[C@H](N)Cc1cc(Br)cc(Br)c1OC[C@H]1C[C@@H](Br)C1 1887901782 SCYSOGLBYUZKMX-ATZCPNFKSA-N 456.016 4.654 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@H](Cl)CCc1cc(Cl)ccc1I 1905372342 UULDFTBSGHWNEB-CYBMUJFWSA-N 474.125 4.781 50 10 JJGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1COCCO1 1923068139 NMUBWIGREINJAT-NJGYIYPDSA-N 455.393 4.778 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CCC[C@@](F)(CBr)C1 2039795602 XDEJBUXXUBSPTC-LLVKDONJSA-N 463.992 4.612 50 10 JJGE BrCCC[C@@H]1CCCCN1c1ncc(I)cc1Br 2085689463 AUNHUMMSLUMLHP-NSHDSACASA-N 488.005 4.983 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2Br)[C@H](C)C[C@H]1Br 2093110433 BXUDPPJPRVWHQC-JRKPZEMJSA-N 454.000 4.846 50 10 JJGE CC1(C)CN(Cc2cc(Br)ccc2Br)C[C@@H](CBr)O1 2118534552 KKMIFGBTEWDFQJ-GFCCVEGCSA-N 456.016 4.586 50 10 JJGE O=C(c1c(Br)cccc1Br)N1[C@H]2CC[C@@H](C2)[C@H]1CBr 2122170105 GQIQKKWBBTZKLB-HOTUBEGUSA-N 451.984 4.600 50 10 JJGE O=C(NC[C@]12CCC[C@]1(CBr)C2)c1cc(Br)c(Br)s1 2142939569 HZLYVVLJQRSKAF-CHWSQXEVSA-N 472.040 4.958 50 10 JJGE FC(F)(F)c1cnc(N2C[C@@H](Br)CC23CCC3)c(I)c1 2155603772 XPSBETSQUUGWDF-VIFPVBQESA-N 461.063 4.601 50 10 JJGE O=C(NC1(CBr)CCCCCC1)c1cc(I)ccc1F 2169661332 HZUHZUQPQVJKON-UHFFFAOYSA-N 454.121 4.648 50 10 JJGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Cl 2179792974 NAJRJQYUXLPZBM-UHFFFAOYSA-N 473.864 4.768 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@H](CBr)C12CCC2 2190364270 WLUGRKPFPRYCKE-LLVKDONJSA-N 466.011 4.991 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CC[C@H]2CC[C@H](Cl)[C@H]1C2 2207257489 BZPBZDSZBUIGAA-LJWDBELGSA-N 468.560 4.676 50 10 JJGE COc1cc(Br)c([C@@H](Br)c2cn(C)nc2Br)cc1C 2227719836 AGZFDGUMDSHGMD-GFCCVEGCSA-N 452.972 4.746 50 10 JJGE Cl[C@@H]1C[C@H]2CCCC[C@@H]2N(c2ncc(I)cc2Br)C1 2264953296 IWWUKUNWJGGPIA-BREBYQMCSA-N 455.565 4.825 50 10 JJGE CN(C[C@@H](Br)C1CCCC1)C(=O)c1ccc(Cl)c(I)c1 2283666162 YFWAINOUXWUOSR-GFCCVEGCSA-N 470.576 4.970 50 10 JJGE CC[C@H]1[C@H](Br)CCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2288882826 JFEXIOAPCZNMMV-KCJUWKMLSA-N 466.022 4.692 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 2293215326 RYPMPLIPWBXYMG-UHFFFAOYSA-N 476.916 4.849 50 10 JJGE COc1ccc(Br)cc1C=C(C#N)C(=O)Nc1ccc(Br)cc1F 2297551684 ZANIYTHOAPAALN-UHFFFAOYSA-N 454.093 4.905 50 10 JJGE COc1ccc(CCN2C(=O)C(=CNc3c(Cl)cccc3Cl)C(C)=C(C#N)C2=O)cc1OC 2314579061 IRVFCMKJWGYJIP-UHFFFAOYSA-N 486.355 4.758 50 10 JJGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2)c(OC)c1 2314729156 XSWPKEYBZJPYOD-UHFFFAOYSA-N 457.482 4.817 50 10 JJGE CC(C)(CI)CN1CCC[C@@H]([C@@H]2CCCCN2C(=O)OC(C)(C)C)C1 2326671408 CZMQMBLYIQLAGB-SJORKVTESA-N 464.432 4.949 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1[C@H]2CC[C@H](C2)[C@H]1CBr 2330983449 KFNGJYOLLVRBCM-DFAYQTQMSA-N 451.984 4.600 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1C 2331260023 BYQQAHXHWVRUAR-UHFFFAOYSA-N 478.530 4.822 50 10 JJGE O=C(N[C@@H]1CCCC[C@H]1CBr)c1ccc(Cl)cc1I 2340060359 BLTPTCIORWETOP-TVQRCGJNSA-N 456.549 4.628 50 10 JJGE CC(C)(C)OC(=O)NCC1CC([S@](C)(=O)=NC[C@@](C)(CBr)C(C)(C)C)C1 2352113330 MUWNEGPZZXYFBY-MBYYMLCXSA-N 453.487 4.835 50 10 JJGE CC(C)CO[C@@H]1[C@@H](Cl)C[C@@H]1OCc1cc(I)ccc1Br 2367611462 PIFQXBGNLUVHPC-SOUVJXGZSA-N 473.576 4.991 50 10 JJGE FC(F)(F)[C@H]1CN(Cc2ccc(I)c(Br)c2)C[C@H]1CCl 2377329564 AMXGLXLYZCVYIK-ZJUUUORDSA-N 482.509 4.903 50 10 JJGE CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(C(C)(C)C)cc3)[C@H]2C1 662478 HIHVRGDSMSSIEU-VXKWHMMOSA-N 457.578 4.645 50 10 JJGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCCCOC(C)C)ccc1Cl 2399835 CHFVLZWZHCRESA-RGEXLXHISA-N 494.979 4.595 50 10 JJGE O=C(Cc1ccc(Cl)cc1)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 14665598 BOVFNWOMLHJFPG-UHFFFAOYSA-N 487.781 4.728 50 10 JJGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)cc1Cl 14666920 PAGWAQNCHYWEQD-UHFFFAOYSA-N 490.181 4.631 50 10 JJGE O=C1C=CC(=CNNC(=O)CN2CCn3c4c(c5cc(C6CCCCC6)ccc53)CCC[C@@H]42)C=C1 17117715 LCYNPWVVBDPDOR-MHZLTWQESA-N 470.617 4.582 50 10 JJGE N#C/C(=C/c1ccc(OCCOc2ccccc2)c(Br)c1)C(=O)NCc1ccco1 34829137 RNIRHLANMHFMJF-AQTBWJFISA-N 467.319 4.723 50 10 JJGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(C)cccc3C)ccc21 38650021 QPCCGKPXXVSVCM-RUZDIDTESA-N 456.498 4.515 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)c1OC 38658850 JUTVCNWHKKUUSC-DEOSSOPVSA-N 492.915 4.560 50 10 JJGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811709 RJZMRLMEICMANN-VUTHCHCSSA-N 485.028 4.751 50 10 JJGE COc1ccc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc1Br 40924298 XTFIQNQLTRASEB-UFFVCSGVSA-N 462.394 4.824 50 10 JJGE COC(=O)c1cc(OC)c(OC)cc1N/C=C(/C#N)c1nc(-c2cccc(OC)c2)cs1 102418937 YAXGDNHMUBYLJJ-QINSGFPZSA-N 451.504 4.599 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CNC(=O)c2ccc(C)cc2)cc1 254312602 XZPOUVQGYGUOTA-UHFFFAOYSA-N 495.583 4.517 50 10 JJGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=Cc1cccc(O)c1 254501899 YVYBWNQFKYIQOW-UHFFFAOYSA-N 466.613 4.932 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(CC)cc3)cc2OCC)cc1 254747056 QJTZEGNAWJFTQO-UHFFFAOYSA-N 490.556 4.795 50 10 JJGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2ccccc2O)cc1 254814273 FMNUGESGGRQWJO-UHFFFAOYSA-N 499.592 4.860 50 10 JJGE O=C(NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1cc(-c2ccccc2)n[nH]1 254837448 YIMIAXLWLHXMCV-UHFFFAOYSA-N 471.520 4.911 50 10 JJGE O=C(NC1CCC(CBr)CC1)c1ccc(I)c(Cl)c1 302574370 CAUHFHGHKOQQNG-UHFFFAOYSA-N 456.549 4.628 50 10 JJGE O=C(CBr)c1cc(C(F)(F)F)c(I)c(C(F)(F)F)c1 575340447 CWKMWWMLPKHKPF-UHFFFAOYSA-N 460.937 4.906 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)NCc2csc(Br)c2)c(-c2ccccc2)n1 915201053 GEDCSMSIUWUWMO-LICLKQGHSA-N 466.364 4.511 50 10 JJGE O=C(NN=C1C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1cc(F)c(F)cc1Cl 1084589225 HJWVGSXLTCYTHL-AJNBEPFESA-N 451.860 4.812 50 10 JJGE CC(=O)c1cc(C(=O)NNc2cccc(OC(F)F)c2Br)ccc1OC(C)C 1558274943 DVGIBOXUZZJODO-UHFFFAOYSA-N 457.271 4.797 50 10 JJGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(F)cc4F)c(C)c32)cc1 1772745730 JWCSJYSVUHJQBR-UHFFFAOYSA-N 453.445 4.598 50 10 JJGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)c1O 1865697241 YDZAAZVORWWJPB-SFHVURJKSA-N 487.741 4.529 50 10 JJGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865710583 BZGBAQQYYJTYLZ-QHCPKHFHSA-N 494.979 4.781 50 10 JJGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1ccc(F)c(Br)c1 1916383522 KPOFVSSREFZRAF-OAHLLOKOSA-N 459.153 4.641 50 10 JJGE Cl[C@H](c1cc(Br)c2c(c1)CCO2)c1cc(I)sn1 2056495027 ZTBMMNHIWGHOBK-LLVKDONJSA-N 456.530 4.773 50 10 JJGE CC[C@@H](C)[C@@H](CBr)NC(=O)c1ccc(I)c(Br)c1 2081238847 KUKMEJHUHBNFQY-PRHODGIISA-N 488.989 4.593 50 10 JJGE C[C@@](CBr)(NC(=O)c1cc(Br)cc(Br)c1)C(F)(F)F 2105103178 HMXAYCDBGVATJU-JTQLQIEISA-N 467.905 4.657 50 10 JJGE CC(C)[C@H]1[C@H](Br)CCN1C(=O)c1ccc(I)c(Cl)c1 2126102921 VHKCQXNGCQTCSU-MFKMUULPSA-N 456.549 4.579 50 10 JJGE O=C(NC[C@H]1CCCC[C@H]1Cl)c1ccc(Br)cc1I 2142284400 BQIJQDUCZLUFAZ-BXKDBHETSA-N 456.549 4.581 50 10 JJGE ClCCc1nc2cc(I)ccc2n1[C@@H]1CCOC[C@H]1OCc1ccccc1 2146523984 QPIWIXKLUVBFLV-WOJBJXKFSA-N 496.776 4.969 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H]2CCC[C@]2(CBr)C1 2159408509 LSBDRIQTIGULOA-ABAIWWIYSA-N 468.560 4.582 50 10 JJGE Brc1ccccc1[C@H](CI)OCCN1CCCCCC1 2175843685 UZLLYJOOVNDDTN-INIZCTEOSA-N 452.174 4.818 50 10 JJGE CN(C[C@H]1C[C@@H](Br)C1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2196913419 DBCBHHQGKSHASI-OCAPTIKFSA-N 466.022 4.550 50 10 JJGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)C1COCCOC1 2272721979 OBPAONMEORXMQA-SNVBAGLBSA-N 464.926 4.589 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CCC(CCBr)CC1 2295307845 PUOJXWYCEQXFML-UHFFFAOYSA-N 468.027 4.778 50 10 JJGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NC3CCCC3)c(Oc3ccc(Br)cc3)nc12 2296719450 UXLXYAFIMNWHNH-UHFFFAOYSA-N 493.361 4.524 50 10 JJGE CCOCCCN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)C(C)=C(C#N)C1=O 2314618514 OTYKXCYCRIOPIV-UHFFFAOYSA-N 494.975 4.946 50 10 JJGE CC(C)(C)OC(=O)NCC[C@H]1CCN(CCCCI)[C@H](C(F)(F)F)C1 2315834775 QGOKNHJVQCMIHX-KBPBESRZSA-N 478.337 4.759 50 10 JJGE N#CC(=Cc1ccc(Br)cc1)C(=O)Nc1ccc(I)cc1F 2329660663 JBKSSQYFVWHPDW-UHFFFAOYSA-N 471.067 4.738 50 10 JJGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)CC1=O 2331351816 BZZKDMQXDKWEAQ-CQSZACIVSA-N 481.480 4.721 50 10 JJGE COc1ccc([C@@H](Br)[C@H]2C[C@](OC)(C(F)F)C2)cc1I 2368977326 YMTGHSSUTUFKKD-IUPBHXKESA-N 461.084 4.796 50 10 JJGE CC[C@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 9872540 LHNKYQRPLDLECO-RRFJBIMHSA-N 453.366 4.889 50 10 JJGE C[C@@H](Cl)C(=O)N/N=C/c1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 39899598 GXSNAIYHBJHQKK-VQGIZBIESA-N 452.139 4.790 50 10 JJGE O=C(NNc1ncnc(Nc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-])c1ccc(Cl)cc1 40648732 OKMDQCFSBMXBOO-UHFFFAOYSA-N 452.780 4.558 50 10 JJGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2O)CCC3)ccc1Cl 40826543 SBONHWUEXBYUIH-NLRVBDNBSA-N 452.894 4.945 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 40926216 QPEGNVMJYUGZNX-LICLKQGHSA-N 495.875 4.682 50 10 JJGE CCOC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(C)cc2)C(=O)N1c1ccc(Br)cc1 102974664 MXHPJVXRYATMGA-PMIVHWTLSA-N 471.376 4.747 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)OC(C)C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 207912414 QKKSQEVPZORSJC-YVLHZVERSA-N 476.451 4.980 50 10 JJGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc3cc(OC)ccc3c2)cc1 254439858 DRCYQNBIBVRTKB-LOANBBEMSA-N 479.536 4.778 50 10 JJGE CCOC(=O)c1c(-n2c(C)cc(C=NNC(=O)c3ccc(C#N)cc3F)c2C)sc(C)c1C 254820183 YSDDMQQIQFVITJ-UHFFFAOYSA-N 466.538 4.724 50 10 JJGE C[C@]1(CBr)CCCN(C(=O)c2cc(Br)c(Br)s2)C1 688843135 DBKVREHPTBJQKD-GFCCVEGCSA-N 460.029 4.910 50 10 JJGE O=C(N[C@@H]1CCCC[C@H]1CBr)c1scc(Br)c1Br 705409563 MQDFGWNCVWIDIL-IONNQARKSA-N 460.029 4.957 50 10 JJGE C[C@H]1CCN(C(=O)c2scc(Br)c2Br)C[C@H]1CBr 705446946 DKIJJKGHNVEOQX-JGVFFNPUSA-N 460.029 4.766 50 10 JJGE CCOc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 1084396114 JYZLFEUTXXJABS-UHFFFAOYSA-N 473.360 4.888 50 10 JJGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 1084542453 YBRWYMYKEFKAQR-UHFFFAOYSA-N 469.900 4.546 50 10 JJGE C/C(=C\C(=O)NNC(=O)[C@H](C)Oc1c(C)cc(Cl)cc1C)c1ccccc1C(F)(F)F 1289990862 RHPQWONPMFNZGU-RUMSDORHSA-N 454.876 4.994 50 10 JJGE CC(C)[C@H](NC(=O)NNC(=O)c1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 1318233453 SHDUMVIFUGDABV-INIZCTEOSA-N 458.278 4.809 50 10 JJGE CCN(CC)c1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)cc1 1614701383 DBZPUORFQRLSHN-FUHWJXTLSA-N 458.384 4.918 50 10 JJGE CC(=O)c1cccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1O 1636953048 NFUVCGOJPYAURU-SFQUDFHCSA-N 459.893 4.571 50 10 JJGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865684001 KUCZHZWCNOVIDR-QHCPKHFHSA-N 480.524 4.789 50 10 JJGE Cc1ccc(O)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)c1 1865687328 OSCYYXIWKLPPMW-KRWDZBQOSA-N 478.833 4.975 50 10 JJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(F)c2)sc(C(=O)OCC(C)C)c1C 1866131509 YLDQGGARFREYMO-CXUHLZMHSA-N 458.511 4.731 50 10 JJGE CC(=O)Oc1ccc(C[C@@H](NC(=O)/C(C)=C/c2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866813688 FAHSKJBEVYWTAJ-IWCMWKPHSA-N 499.592 4.955 50 10 JJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)Cc2cc(-c3ccccc3)on2)cc1 1866909477 ICKZDGQQSLAZRU-XMMPIXPASA-N 482.565 4.823 50 10 JJGE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1NCCSSCCNC(=O)OC(C)(C)C 1988840350 OYFQHHXWOUUBKF-IAGOWNOFSA-N 463.710 4.518 50 10 JJGE O=C(NC[C@H]1CCC[C@H]1CBr)c1csc(Br)c1Br 2032953022 BBTIHAVTFGTPIG-JGVFFNPUSA-N 460.029 4.814 50 10 JJGE O=C(NC[C@@H]1CCCC[C@H]1Br)c1csc(Br)c1Br 2032953981 UEYZGRYDLUTIJI-IONNQARKSA-N 460.029 4.957 50 10 JJGE O=C(c1scc(Br)c1Br)N1CC2(CC2)C[C@H]1CBr 2037820510 OYQARAAKJWWMPF-ZETCQYMHSA-N 458.013 4.663 50 10 JJGE CC[C@H](C)[C@@H](CBr)NC(=O)c1ccc(Br)cc1I 2086146826 FSVRBNZJUAXBOJ-QPUJVOFHSA-N 488.989 4.593 50 10 JJGE CCCN1CC[C@H]([C@H](Br)c2scc(Br)c2Br)S1(=O)=O 2089520259 UWJVQKLLFHBOHE-SCZZXKLOSA-N 496.084 4.523 50 10 JJGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CCl)c(Br)c1 2095873488 GONNDCLTNKUKEL-UHFFFAOYSA-N 460.821 4.805 50 10 JJGE O=C(c1cc(Br)ccc1I)N1[C@H](CCl)CCC12CCC2 2205773407 QIPNJVLDYXSSAF-NSHDSACASA-N 468.560 4.820 50 10 JJGE CC(C)(C)C(=O)[C@@H](Br)Cc1ccc(Br)cc1I 2217121491 WUEVUUPJTMXNTQ-JTQLQIEISA-N 473.974 4.975 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1[C@H]2CC[C@H](Br)[C@H]1CC2 2222296829 WPNJKYSBSYQWSI-ACLDMZEESA-N 458.013 4.804 50 10 JJGE CN(C[C@H]1C[C@H](Br)C1)C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2241637983 QORHZXUBNHBLTE-IYARVYRRSA-N 485.422 4.937 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OCCOc1cc(C)cc(C)c1 2293345730 PYPKNJQKRCMNLQ-UHFFFAOYSA-N 460.530 4.976 50 10 JJGE COc1ccc(C=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1COc1ccc([N+](=O)[O-])cc1 2295680589 ZFKVWWBOYUHFJR-SFHVURJKSA-N 457.486 4.967 50 10 JJGE BrC[C@H]1CC=CCN1Cc1ccc(I)c(Br)c1 2306227007 JDTTUWFETKBVOU-LLVKDONJSA-N 470.974 4.579 50 10 JJGE C[C@H]1CCCN(CC(C)(C)CI)[C@H]1CCCNC(=O)OC(C)(C)C 2306819977 ZISHZSLLCSDAJE-HOTGVXAUSA-N 452.421 4.853 50 10 JJGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 2313565233 OXJLEEKESKLDFH-UHFFFAOYSA-N 477.904 4.998 50 10 JJGE Cc1ccc(CNC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)cc1 2314522620 QXKNAHIDWAERNT-UHFFFAOYSA-N 462.509 4.800 50 10 JJGE CC(C)[C@@H]1C[C@H](Br)CN1C(=O)c1cc(Br)sc1Br 2321384019 PHSYBJGXDBNHGC-CBAPKCEASA-N 460.029 4.907 50 10 JJGE Brc1cc(CN2C[C@H]3CC[C@H]2[C@H](Br)C3)ccc1I 2325460828 UHYCRNFJIOKJMH-SUHUHFCYSA-N 485.001 4.802 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(F)(F)F)CCN1C[C@@]1(CBr)CC1(F)F 2379987164 DUPLXGJUOBHIOU-XUJVJEKNSA-N 465.301 4.574 50 10 JJGE COc1ccc(/C=N/N(C(=O)c2ccc(N3C(=O)CCC3=O)cc2)c2nc3ccc(C)cc3s2)cc1 9628836 UIDSPBWTVOPGAN-LQKURTRISA-N 498.564 4.948 50 10 JJGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)N1CCOCC1 33383235 HRPKIASLLTUMKF-NCELDCMTSA-N 490.563 4.884 50 10 JJGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)cc1 35335007 DHIDHOZXVYGWHX-JXAWBTAJSA-N 454.461 4.788 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)cc1OCC 38679428 OWTKDZJCTOSAMH-MHZLTWQESA-N 470.525 4.850 50 10 JJGE Cc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)c1 39993172 CIXXAQRLEJNSLF-HMMYKYKNSA-N 450.498 4.958 50 10 JJGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1cccc(C(F)(F)F)c1 40781953 LFMNVCYBLUKIHQ-UHFFFAOYSA-N 487.269 4.650 50 10 JJGE O=C(COc1ccc(Br)cc1)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 40846355 TWIBGJUDSZVBDK-QYQHSDTDSA-N 498.764 4.549 50 10 JJGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1c(O)ccc2ccccc12 59486861 PMZUPUZUQIOQEI-GBYSFBBLSA-N 486.601 4.566 50 10 JJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3c(Cl)cccc3Cl)C2=O)cc1OC 101233129 IRVFCMKJWGYJIP-GHRIWEEISA-N 486.355 4.758 50 10 JJGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242437 YXVVICXMOINLPA-GFPZRUSRSA-N 491.544 4.560 50 10 JJGE COc1ccc([C@@H](Br)c2csc(I)c2)c(OC)c1OC 124425714 SURJWWMYPYOBES-LBPRGKRZSA-N 469.138 4.863 50 10 JJGE COc1cc2c(cc1OC)[C@@H]([P+](c1ccccc1)(c1ccccc1)c1ccccc1)OC2=O 142891529 VLGWOOFIOIKOBR-MUUNZHRXSA-N 455.470 4.867 50 10 JJGE CCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc(O)n2)cc1 169923044 DDSNNEBHKKCVOL-MTDXEUNCSA-N 451.530 4.640 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)c(OC)c1 205647072 LIYBVBUYQQLBJH-ZRUILDMBSA-N 454.482 4.541 50 10 JJGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 209901490 PSWMZPAVHAMSFQ-HIXWQLQUSA-N 470.407 4.879 50 10 JJGE C[C@@H](NC(=O)/C(C#N)=C\Nc1ccc(I)cc1)c1ccc2c(c1)CCCC2 217203788 QNFARCBURQKQMK-ATPAHOSSSA-N 471.342 4.867 50 10 JJGE CCC[C@@H](CCCl)CNC(=O)c1cc(I)ccc1Br 227492781 UJDMDPAAVVZGNZ-JTQLQIEISA-N 458.565 4.829 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccccc3OC)cc2OCC)cc1 254486429 ZUTZLPNTHYJKIT-UHFFFAOYSA-N 476.529 4.866 50 10 JJGE C=CCc1cccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(OC)cc2)c1O 254671539 VWVSPKIGDLKMHC-UHFFFAOYSA-N 499.596 4.619 50 10 JJGE CC(=NNC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1 254705128 PZZBOYGIKVODFN-UHFFFAOYSA-N 469.585 4.982 50 10 JJGE ClCCc1nc2cc(I)ccc2n1C[C@@H]1CCN1Cc1ccccc1 716236218 GGLRNWLJQJDUIM-KRWDZBQOSA-N 465.766 4.697 50 10 JJGE CCN(CCc1ccccn1)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 746831943 DGIYJDCJUFRFTI-CAPFRKAQSA-N 458.953 4.510 50 10 JJGE CC(C)c1ccc(CN2CCN(C(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)CC2)cc1 914463779 CMOONDHOFBRDQX-DIBXZPPDSA-N 492.627 4.839 50 10 JJGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1cccc([N+](=O)[O-])c1 1083946771 RGGPYSAKMMOFDN-HSZRJFAPSA-N 477.517 4.536 50 10 JJGE C=CCc1cc(C(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)cc(OC)c1OC 1538725652 XIPSKJUFFREBJH-GOSISDBHSA-N 456.608 4.720 50 10 JJGE O=[N+]([O-])c1ccc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CBr)c(Br)c1 1614640646 CTCIOEUMKDTRFV-WMLDXEAASA-N 454.162 4.968 50 10 JJGE CCc1ccc(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858685183 HVFQIWYHIFKABN-OAHLLOKOSA-N 450.451 4.569 50 10 JJGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865683266 BSVQAYJYTCFCTM-NRFANRHFSA-N 455.905 4.814 50 10 JJGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865706862 HJWWJKMVYJETNX-IBGZPJMESA-N 489.334 4.872 50 10 JJGE CCOC(=O)c1c(C)nn(-c2cccc(F)c2)c1NC(=O)/C(C#N)=C/c1cccc(Br)c1 1866132041 ZBHZHUCNTSKJSV-MHWRWJLKSA-N 497.324 4.805 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@H](Br)C12CCC2 1914448985 MYWWMJGSHUCODI-LBPRGKRZSA-N 451.984 4.744 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H](C2CC2)[C@@H](Br)C1 2030223891 WVKXJYQNDFERLJ-BDAKNGLRSA-N 458.013 4.519 50 10 JJGE CC1(C)C[C@@H](CBr)CN(C(=O)c2cc(Cl)ccc2I)C1 2172586561 RPBNXZCSIBFQIE-JTQLQIEISA-N 470.576 4.828 50 10 JJGE FC(F)(F)c1cnc(N2[C@H]3CC[C@H](Br)[C@H]2CC3)c(I)c1 2238210536 LXQCWXFQPUNYQQ-ATZCPNFKSA-N 461.063 4.600 50 10 JJGE C[C@H]1CN(Cc2ccc(I)c(Br)c2)C[C@H]1CBr 2306222629 WUYIRNCJNTVDDW-GXSJLCMTSA-N 472.990 4.517 50 10 JJGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=CC=Cc1ccccc1 2313892544 WMJBOGYFUOGKLD-UHFFFAOYSA-N 452.146 4.714 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CCC[C@@H]1CCCBr 2340057968 PEGLBLXVBKSEAT-NSHDSACASA-N 456.549 4.724 50 10 JJGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1cc(C)ccc1C(C)C 14649837 BLSZHAPRQNPORJ-UHFFFAOYSA-N 477.399 4.900 50 10 JJGE Cc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1Br 14668231 KXHRMCFZJYOPSP-UHFFFAOYSA-N 498.215 4.658 50 10 JJGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccccc1Br 14768905 JSTNXVOJTLZUEY-OAQYLSRUSA-N 453.336 4.735 50 10 JJGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2)c1 38658591 XPBOIDNYTDNATA-VWLOTQADSA-N 472.497 4.540 50 10 JJGE CCCCCCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(OCC)cc2)cc1 100153680 JGGSIHODVYXBHO-UHFFFAOYSA-N 469.582 4.614 50 10 JJGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1/C(=N\NC(N)=O)CC(C)(C)C2 101110353 VKJOGYMOODOQCN-BRPDVVIDSA-N 456.502 4.691 50 10 JJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccccc3C(=O)c3ccccc3)C2=O)cc1 101235198 ZXADTXDBHKBOJH-LGUFXXKBSA-N 491.547 4.674 50 10 JJGE C[C@H](Br)C1CCN(C(=O)c2ccc(I)c(Cl)c2)CC1 235462604 QYNJSIRKEFILFH-VIFPVBQESA-N 456.549 4.580 50 10 JJGE ClCc1nc2cc(I)ccc2n1Cc1ccn(Cc2ccccc2)n1 389609658 HHNJIPDDQKKEOI-UHFFFAOYSA-N 462.722 4.673 50 10 JJGE C[C@H]1CCC[C@](CCl)(NC(=O)c2ccc(I)c(Br)c2)C1 721571726 IKYDPDMKFBTPOD-BONVTDFDSA-N 470.576 4.971 50 10 JJGE CCCCc1ccc(NC(=S)NNC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 727493512 QAKLNAQERRBOLN-UHFFFAOYSA-N 467.664 4.873 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)n1-c1ccccc1 1083910285 OEURHFQZBINODX-UHFFFAOYSA-N 466.541 4.762 50 10 JJGE Cc1ccc(CNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1 1772749250 YUGHOFKDPXJNOD-UHFFFAOYSA-N 494.935 4.858 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)cc1O 1865681353 LABSFNDBBPXAEB-OAQYLSRUSA-N 456.889 4.822 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)c1O 1865684254 OSIHUOSAAZVSKY-JOCHJYFZSA-N 468.488 4.670 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1OC 1865707489 XXFKGTARBCAWTP-SFHVURJKSA-N 490.869 4.839 50 10 JJGE CC/C(=C\C(=O)N[C@H](CCSC)C(=O)Nc1ccc(SC#N)cc1)c1ccc(OC)cc1 1866690113 ZGOXHMQGXJFLOC-XEPMYJLFSA-N 469.632 4.938 50 10 JJGE CCCC[C@@H](NC(=O)Cc1ccc2nc(O)c(C)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1866912288 AKTGWGZPVYQYQC-JOCHJYFZSA-N 462.575 4.678 50 10 JJGE CN(Cc1ccc(I)c(Cl)c1)[C@@H](CCBr)C(F)F 2086654056 COTUKAWNNNVVPL-NSHDSACASA-N 452.508 4.795 50 10 JJGE O=S(=O)(c1cc(CCl)sc1Br)N1CC2(CC(OCc3ccccc3)C2)C1 2108793715 ZPYIGZVIILXVDB-UHFFFAOYSA-N 476.845 4.619 50 10 JJGE Cc1ccc(C(=O)N[C@@]2(CBr)CCC[C@@H](C)C2)cc1I 2232825124 DAIVOORHERGJOI-BZNIZROVSA-N 450.158 4.673 50 10 JJGE O=C(N[C@]1(CBr)C[C@H]2CC[C@H]1C2)c1cc(Cl)ccc1I 2283933744 SBRMMFSFWGVLOB-YHAQOWFVSA-N 468.560 4.628 50 10 JJGE COc1ccc(CCNC(=O)C(C#N)=Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1OC 2297381964 FXMSMFNGRCMNES-UHFFFAOYSA-N 490.531 4.696 50 10 JJGE COc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br 2297551385 HBMYOXKUCSKDFL-UHFFFAOYSA-N 481.100 4.674 50 10 JJGE Cc1nc(Br)c(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)n1C 2300221298 AMWUFNFSTYZAAO-OAHLLOKOSA-N 457.210 4.553 50 10 JJGE CC(C)[C@@H](Br)CN(C)Cc1ccc(I)c(Br)c1 2306221607 KFMZYBQLCQKWBM-LBPRGKRZSA-N 475.006 4.905 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)cc(C)c1C 2314760318 KTRBXQUZQVCNIG-UHFFFAOYSA-N 488.540 4.811 50 10 JJGE COc1ccc(CCl)c(Oc2cc(Br)cc(I)c2)n1 2338755320 OTWBHJCEBADILW-UHFFFAOYSA-N 454.489 4.988 50 10 JJGE COc1cccc(C[C@@H](Br)c2c(Br)c(Br)nn2C)c1 2338863618 MEBWUVTWJPRNBD-SNVBAGLBSA-N 452.972 4.632 50 10 JJGE C[C@@H](Br)C1CCN(C(=O)c2ccc(Cl)cc2I)CC1 2340054878 BYDHXKSEZSJXGL-SECBINFHSA-N 456.549 4.580 50 10 JJGE CCN(C[C@](C)(CBr)OCc1cc(Cl)cnc1OC)C(=O)OC(C)(C)C 2340193972 QVWBPKLDITWKEA-SFHVURJKSA-N 451.789 4.671 50 10 JJGE CC(C)c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2O)c(Br)c1 12579943 PZYWSOXSCWDHIG-ZVBGSRNCSA-N 470.161 4.570 50 10 JJGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccccc2C(C)C)cc1Br 14041234 SIBBIRJGNWUIDK-UHFFFAOYSA-N 463.372 4.591 50 10 JJGE N#CC1=C(N)C(C#N)(C#N)[C@H](c2cc(Br)ccc2F)[C@@H]2CN(Cc3ccccc3)CC=C12 16037453 WIDKRPLOYROFNZ-FYYLOGMGSA-N 488.364 4.514 50 10 JJGE O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1ccc(-c2ncc(-c3ccccc3)o2)cc1 20615139 UZQFMQPRYZVRAF-UHFFFAOYSA-N 487.313 4.857 50 10 JJGE CCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C\c3ccc(N(C)CCCl)cc3)C2=O)cc1 33600927 SZBWEDUATZANLC-XMHGGMMESA-N 479.886 4.887 50 10 JJGE CCc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814563 KZWFNKVIOUHNPV-SGWCAAJKSA-N 474.517 4.710 50 10 JJGE CCOc1c(Br)cc(/C=C/C(=O)Oc2ccc(C=C(C#N)C#N)cc2)cc1OC 40991361 MZWOWMHKHUFWQT-RMKNXTFCSA-N 453.292 4.906 50 10 JJGE O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 48572798 JQARNILDBCTLGS-BHGWPJFGSA-N 460.273 4.950 50 10 JJGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\NCCCCc1ccccc1 217254418 PNFMOHZMGWWGKK-SDXDJHTJSA-N 459.331 4.558 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CCCC[C@H]1CCCl 236038163 CBXTYGDLPQBHFU-NSHDSACASA-N 456.549 4.677 50 10 JJGE COc1cc2c(cc1NC(=O)CC(C)=NNC(=O)Cc1ccc(OC)c(OC)c1)oc1ccccc12 254403808 PHVYHFYAHSXDPW-UHFFFAOYSA-N 489.528 4.675 50 10 JJGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(Cl)ccc1I 686174553 CJOAGGHAFWNXQI-LGYCOIBBSA-N 468.560 4.721 50 10 JJGE CCOc1cc(C=NNC(=O)COc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(C)cc1 1084601325 MEXXEFSXPNSWQI-UHFFFAOYSA-N 466.921 4.795 50 10 JJGE Cc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1[N+](=O)[O-] 1614696538 ZHNKERDVQKZCCO-QZTJIDSGSA-N 480.302 4.690 50 10 JJGE COc1ccc(OC)c(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)c1 1772754496 IRMSPUQJAKUFTB-UHFFFAOYSA-N 469.335 4.662 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865683253 BLLQMDWVGRRCIL-XMMPIXPASA-N 494.551 4.848 50 10 JJGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(N(C)C)cc2)cc1 1865683527 LUGMJRLFNRQPSM-XMMPIXPASA-N 463.541 4.832 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865712680 FIYVLFLBZAKLMR-JOCHJYFZSA-N 467.460 4.864 50 10 JJGE Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)c1 1865759160 LIVPMBWTPGMOKW-UHFFFAOYSA-N 458.345 4.821 50 10 JJGE Cc1cc(OC(=O)C(Cl)Cl)cc2c1C(=O)/C(=C/c1cc(Cl)cc3c1OCOC3)O2 1871386147 GPCXMCYQPDLSAL-WCSRMQSCSA-N 455.677 4.840 50 10 JJGE N#C/C(=C(/O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(F)cc2F)cs1 1872817928 DMMJSUKVQUPPHU-PGMHBOJBSA-N 470.457 4.783 50 10 JJGE C[C@@H]1CC[C@](CCl)(NC(=O)c2cc(Br)ccc2I)C1 1880880880 CNTCFLJMOAGSTI-OTYXRUKQSA-N 456.549 4.581 50 10 JJGE Cn1nc([C@H](Cl)c2sc(Cl)cc2I)cc1Br 1901027792 FIGTZRTYBSMSNO-QMMMGPOBSA-N 451.942 4.830 50 10 JJGE C[C@@H](NC(=O)c1ccc(I)c(Br)c1)C(C)(C)CBr 2030089202 XKBSORMAPRJPAY-MRVPVSSYSA-N 488.989 4.593 50 10 JJGE CCCN1CC[C@H]([C@H](Br)c2cc(Br)c(Br)s2)S1(=O)=O 2089534982 IXFKHGVELBVKOR-NXEZZACHSA-N 496.084 4.523 50 10 JJGE C[C@H](Br)[C@@H]1CCCN(C(=O)c2cccc(Br)c2Br)C1 2092333000 LWLOCGORDFWFSK-VHSXEESVSA-N 454.000 4.847 50 10 JJGE CC(C)(C)[C@H](CBr)CNC(=O)c1cccc(Br)c1Br 2092336424 XSWXOSDNHYTGPZ-SECBINFHSA-N 456.016 4.999 50 10 JJGE O=S(=O)(c1ccc(CCl)cc1Br)N(Cc1ccccc1)CC1CCOCC1 2152169738 PQTUGXBLIOCPQL-UHFFFAOYSA-N 472.832 4.805 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC2(CC[C@H]1CBr)CC2 2154160863 KJQYRCAGQPYKRE-JTQLQIEISA-N 466.011 4.991 50 10 JJGE CO[C@@](C)(COCc1ccccc1)Cn1c(CCl)nc2c(C)c(Br)cnc21 2184936707 ZIOGRVNTGQDGIG-HXUWFJFHSA-N 452.780 4.863 50 10 JJGE CCC[C@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@H]1CCl 2205698415 QUNFRGBZWIVMHO-WDEREUQCSA-N 470.576 4.781 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OC2(C)C3CC4CC(C3)CC2C4)C1 2259088833 PUXAXOXNRVOHIW-GWBCLGLKSA-N 461.384 4.641 50 10 JJGE CN(Cc1cccc(I)c1)c1ncc(Br)cc1CCl 2265529341 QLZAQVRVIFRFFR-UHFFFAOYSA-N 451.533 4.824 50 10 JJGE COc1ccc([C@H](Br)c2cccc(OC)c2F)cc1I 2285011356 TVFVLDZZCOAVNR-AWEZNQCLSA-N 451.073 4.932 50 10 JJGE CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@H]2CCCO2)cc1 2296702661 CZJFWVGFARWBJQ-AREMUKBSSA-N 470.573 4.776 50 10 JJGE Cn1nc(Br)c(Br)c1[C@H](Br)Cc1ccncc1Cl 2316718591 VIXCSNCKSPDIJX-SSDOTTSWSA-N 458.379 4.672 50 10 JJGE C=CCn1c(SCC(=O)NN=Cc2ccccc2)nc2scc(-c3ccccc3)c2c1=O 2320486480 ZZFMNFSASKNCMD-UHFFFAOYSA-N 460.584 4.553 50 10 JJGE COc1cc(C=NNC(=O)Cc2cc(Cl)ccc2SC)cc(Br)c1OC 2323686549 NFJITXRIRRXNAZ-UHFFFAOYSA-N 457.777 4.534 50 10 JJGE CCCCCCOc1ccccc1C(=O)C=NNC(=O)c1nn(-c2ccccc2)c2c1CCC2 2323759534 KNGSNNRNKSZEHN-UHFFFAOYSA-N 458.562 4.919 50 10 JJGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)Nc4cccc(S(=O)(=O)O)c4)cc3)sc2c1 2324209735 MCECFLVHXYMETC-UHFFFAOYSA-N 490.566 4.977 50 10 JJGE BrC[C@@H]1C[C@@H]2CN(Cc3ccc(I)c(Br)c3)C[C@@H]21 2325204499 ORCCZEJHHBYNGS-QJPTWQEYSA-N 485.001 4.517 50 10 JJGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1cccc2c(O)cccc12 2325406079 TZJBTQLPQVEHBL-UHFFFAOYSA-N 469.282 4.917 50 10 JJGE O=C(c1cccc(Br)c1Br)N1[C@H]2CC[C@@H]1[C@H](CBr)C2 2329071639 QDESYNMUFGDYQQ-HOTUBEGUSA-N 451.984 4.600 50 10 JJGE CC1(C)[C@@H](CBr)CCN1C(=O)c1ccc(Cl)cc1I 2340062619 BMXXCDYCVJWRAQ-SECBINFHSA-N 456.549 4.580 50 10 JJGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)cc1 2393162 VYSILVJBYCIRHG-CYVLTUHYSA-N 466.497 4.658 50 10 JJGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)CCCN3C(=O)c4ccccc4C3=O)c2)cc1 31903173 QJMNAHWZOGBPFP-PGMHBOJBSA-N 466.493 4.741 50 10 JJGE CC(C)c1ccc(NC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])ccc2OCC(=O)Nc2nccs2)cc1 35519544 AZKWEIUMDSLTPH-WQRHYEAKSA-N 491.529 4.738 50 10 JJGE Cc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3Cl)nc3ccccn3c2=O)c1 39858672 GMZNIPDJJGBTET-VKAVYKQESA-N 456.889 4.994 50 10 JJGE CC(=O)[C@@H](Br)Cc1c(Br)cc(Br)cc1Br 52229138 NPBGOWHVJUPVPK-QMMMGPOBSA-N 463.789 4.869 50 10 JJGE O=C(N/N=C/c1cccc(O)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103740614 DPUDUXDILFRHCM-RSLIBCCBSA-N 482.196 4.581 50 10 JJGE C=CCN1C2=C(S/C1=C(/C#N)S(=O)(=O)c1ccc(C)cc1)[C@@H]1c3ccccc3OC[C@@H]1CO2 105006849 RGBXOJITBIQJFB-IDEXMBLQSA-N 478.595 4.688 50 10 JJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cc(OC)c(OC)c(OC)c2)sc2c1CC[C@@H](C)C2 209397579 RYYDEMNYWLVSHY-KWZJRMENSA-N 484.574 4.621 50 10 JJGE COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\N(Cc2ccccc2)Cc2ccccc2)cc1OC 217172937 WQQGSHRZBSEFTF-VUSVCRIZSA-N 455.558 4.991 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCCCC(F)(F)F)C1 231319153 OICFIQHQOXATMZ-AWEZNQCLSA-N 451.267 4.550 50 10 JJGE CCC(CBr)(CBr)NC(=O)c1cc(Cl)ccc1Br 232853681 KAFASZDNMPYAHF-UHFFFAOYSA-N 462.407 4.771 50 10 JJGE CCN(CC)c1ccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccccc2)c(O)c1 252635254 WWBZHZAFKNEWIQ-UHFFFAOYSA-N 487.629 4.879 50 10 JJGE CCCCOc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 254744649 ZDKMYJOJHUKOPI-UHFFFAOYSA-N 476.529 4.622 50 10 JJGE C[C@@H](Br)C[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 312435631 WFVBJSMCYGLALT-RKDXNWHRSA-N 465.660 4.881 50 10 JJGE O=C(CBr)c1cc(C(F)F)cc(Br)c1I 575687973 XSVDEGDLHKKYRX-UHFFFAOYSA-N 453.846 4.569 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)NC[C@H]2CCOc3ccccc32)c(-c2ccc(Cl)cc2)n1 731171129 CTEYCWGXIFXNHG-YFQSIASUSA-N 471.948 4.707 50 10 JJGE C=Cc1ccc(CCNC(=O)CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1 1298321749 MIYAOSKPUGACEO-UHFFFAOYSA-N 457.690 4.955 50 10 JJGE C#Cc1cccc(NC(=S)NNC(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)c1 1455417780 SYGBYABQHCSJHW-UHFFFAOYSA-N 451.983 4.571 50 10 JJGE Cc1cccnc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744405 WYNVYVWAKJYXBT-UHFFFAOYSA-N 481.350 4.777 50 10 JJGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Oc5cccnc5)c(C)c43)coc2c1 1772752099 XIAXIGJPSFQAEZ-UHFFFAOYSA-N 471.513 4.965 50 10 JJGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC)cc1OC 1865693802 ZEVCRFRCAVXYAV-GOSISDBHSA-N 475.387 4.634 50 10 JJGE CC(C)[C@@H](Br)[C@H](C)NC(=O)c1ccc(I)c(Br)c1 2041298723 DAZPTOCWNMTBSH-QPUJVOFHSA-N 488.989 4.592 50 10 JJGE CC[C@H](C)[C@@H](CBr)NC(=O)c1cc(Br)ccc1I 2081239553 UGCXBNNOAOAFKQ-QPUJVOFHSA-N 488.989 4.593 50 10 JJGE C[C@H](CCCBr)CNC(=O)c1ccc(Br)cc1I 2086150215 XYKGZWFXXOIVJD-SECBINFHSA-N 488.989 4.595 50 10 JJGE C[C@@H](Br)C[C@H]1CCCN1C(=O)c1c(Br)cccc1Br 2094089227 UKGOKVGIZRWIFX-NXEZZACHSA-N 454.000 4.990 50 10 JJGE C[C@H]1CN(C(=O)c2cccc(Br)c2Br)CC[C@H]1CBr 2109036869 WDWMFCMCUVZVFO-UWVGGRQHSA-N 454.000 4.705 50 10 JJGE Cc1c([C@@H](Br)[C@H](C)c2ccncc2Br)nn(C)c1Br 2111932106 HEFDXRNBLGJWOC-HQJQHLMTSA-N 451.988 4.888 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@@H](Br)[C@H]1C1CC1 2130611543 LZVYLJGOWMHYRM-DGCLKSJQSA-N 451.984 4.600 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1csc(Br)c1Br 2139716055 XSUSILFAFVYTTI-MFDQJXRNSA-N 472.040 4.955 50 10 JJGE CC(C)[C@@H](Br)CCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2146555099 QMJPAMRTXLMVSW-VIFPVBQESA-N 468.038 4.844 50 10 JJGE C[C@@H]1Cc2cc([C@H](Br)c3cn(C)c(Br)n3)cc(Br)c2O1 2146615955 LYPSNPWIPVPJQL-KRTXAFLBSA-N 464.983 4.753 50 10 JJGE FC(F)(F)[C@H]1CN(Cc2cc(Cl)ccc2I)C[C@H]1CBr 2163292637 SRALYUMUKLRIAW-KOLCDFICSA-N 482.509 4.950 50 10 JJGE COc1cc(Cl)c([C@@H](Br)c2cc(I)sn2)c(OC)c1 2277600548 FBUHDBVZVUKOGC-LBPRGKRZSA-N 474.545 4.903 50 10 JJGE C[C@H]1CCC[C@@](CBr)(NC(=O)c2c(F)cccc2I)C1 2282801176 HYTGKRJIRMLUPA-ZUZCIYMTSA-N 454.121 4.504 50 10 JJGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1cc(Cl)cc(Cl)c1 2320355298 WAPXMJQMFRCIMP-MRXNPFEDSA-N 467.212 4.642 50 10 JJGE O=C(NN=Cc1ccc(C(F)(F)F)cc1)c1cc(-c2ccccc2)nc(N2CCCCC2)n1 2323756268 CIKIVJCUVDSHIS-UHFFFAOYSA-N 453.468 4.917 50 10 JJGE COc1ccc(CCNC(=O)C(C#N)=CNc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 2324714519 UWQQZKLHZJNLIK-UHFFFAOYSA-N 453.848 4.554 50 10 JJGE N#CC(=Cc1ccc(Br)cc1)C(=O)Nc1ccccc1I 2329660699 OMLMWHYDEOMGDQ-UHFFFAOYSA-N 453.077 4.599 50 10 JJGE FC1(F)CCN(Cc2ccc(Cl)c(I)c2)C[C@@H]1CBr 2337223238 JTDVLVAXQMEBKT-JTQLQIEISA-N 464.519 4.797 50 10 JJGE C[C@@H]1CC2CC(CO[C@@H](CI)c3ccc(Br)cc3)(C2)O1 2368120750 LXLRJMBAVUKQAY-IABDWYQCSA-N 451.142 4.899 50 10 JJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2)c(Br)c1 14832236 BJSQENYTRSADOS-MRXNPFEDSA-N 485.378 4.721 50 10 JJGE COc1cc(/C=C(\C#N)c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1ccc(C)cc1 34988295 PXOBDTBSXWLHBT-CPNJWEJPSA-N 466.497 4.734 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@H]1c1cccs1 38656653 WXPMTFAUHLJLNW-OAHLLOKOSA-N 494.397 4.646 50 10 JJGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1cccc([N+](=O)[O-])c1 58890328 RGGPYSAKMMOFDN-WCFTWNFSSA-N 477.517 4.536 50 10 JJGE O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)[C@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59202424 HVLACBITXPPOMI-MPRHSDCASA-N 491.253 4.745 50 10 JJGE CCC[C@@H](CCBr)CNC(=O)c1cc(Cl)ccc1I 227499416 FYNPIULVXYCMCI-JTQLQIEISA-N 458.565 4.876 50 10 JJGE O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(I)ccc1Cl 252600952 DWIXSFKXDQXUET-UHFFFAOYSA-N 495.660 4.877 50 10 JJGE CCc1ccc(C=NNC(=O)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)cc1 252611247 IIDSEERQYKWGFQ-UHFFFAOYSA-N 456.255 4.598 50 10 JJGE CC(/C=C/C=C/c1ccccc1)=NNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 252630522 VBJBUXRYMVWCGM-RIPVWSQGSA-N 479.536 4.948 50 10 JJGE Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3cc(Br)ccc3O)cc2)n1 254287450 FOSYUWNVQMVRMN-UHFFFAOYSA-N 471.380 4.618 50 10 JJGE C[C@H](Br)C[C@H]1CCCCCN1C(=O)c1sccc1I 311748348 SVGXUOXTCVWSNO-WDEREUQCSA-N 456.187 4.911 50 10 JJGE BrCc1ccc(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1Br 404199872 QRKGSPRNXSFRFM-LEWJYISDSA-N 480.244 4.824 50 10 JJGE Cc1cc(CC(CBr)(CBr)c2ccc(Br)cc2)nn1C 688128175 SSKHDLSDQDIYLG-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE Clc1ccc(I)c(CN2CCSC[C@@H]2CCBr)c1 689291847 DBAIAZHKFFWDEH-LBPRGKRZSA-N 460.606 4.647 50 10 JJGE Cc1cnc(COc2c(Br)cc(Br)cc2CBr)nc1 692595421 SGKBXRGVSGTDFE-UHFFFAOYSA-N 450.956 4.784 50 10 JJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(C)c2)c2cc(Cl)cc(Cl)c2)cc1 725411617 LJQZRDSGIJWDNS-UHFFFAOYSA-N 490.412 4.956 50 10 JJGE COc1cc(C=NNC(=O)Nc2ccc(Cl)cc2)ccc1OCc1cccc(C(=O)O)c1 1083896996 ADYRTMVJOAVTKP-UHFFFAOYSA-N 453.882 4.781 50 10 JJGE O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(Cl)cc1Cl 1083944824 VRRLHMHLLRDPGK-UHFFFAOYSA-N 496.803 4.992 50 10 JJGE CCCOc1c(I)cc(C=NNC(=O)c2ccc(OCC)cc2)cc1OCC 1084014097 PUTBDRMTPVPVKJ-UHFFFAOYSA-N 496.345 4.641 50 10 JJGE COc1ccc(Br)cc1C=NNC(=O)c1cc2cc(Br)ccc2o1 1084606708 CMDYFWVZBVNORS-UHFFFAOYSA-N 452.102 4.730 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(Br)c([N+](=O)[O-])c2)[C@@H](CCl)C1 1614620878 FHNNJNNYPWOVRI-JKSUJKDBSA-N 453.720 4.948 50 10 JJGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(C)cc1)CCC2 1772744995 PZOMFTAFYDGGQN-UHFFFAOYSA-N 473.529 4.796 50 10 JJGE CCOc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc(OC)c1)CCC2 1772749452 LRUHKBHGMQHYPB-UHFFFAOYSA-N 461.518 4.718 50 10 JJGE CCOc1ccc(OCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)cc1 1772753922 HGOYQUUGDPMRMS-UHFFFAOYSA-N 483.362 4.956 50 10 JJGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(O)c(O)c2)cc1 1865680490 MKOGKRKSVUXYBX-HSZRJFAPSA-N 450.498 4.536 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1ccccc1[N+](=O)[O-] 1865709417 BSXRCXPIFXCBDJ-HNNXBMFYSA-N 461.787 4.671 50 10 JJGE CCCC[C@H](NC(=O)CCCc1ccc(OC)c(OC)c1)C(=O)Nc1ccc(SC#N)cc1 1866785139 LDPPOCBCWRCSFZ-NRFANRHFSA-N 469.607 4.913 50 10 JJGE CC[C@H]1CN(C(=O)c2scc(Br)c2Br)C[C@@H]1CBr 2084898374 JHKNJUAFSTWBRR-YUMQZZPRSA-N 460.029 4.766 50 10 JJGE CC(C)(C)[C@H](CCl)CNC(=O)c1cc(I)ccc1Br 2090193801 GZZVKKFSBFAYAI-SECBINFHSA-N 458.565 4.685 50 10 JJGE Cc1cc(Br)c(C)c([C@@H](Br)C2(C)CS(=O)(=O)C2)c1Br 2136373446 BYPDIHAINSGLNI-GFCCVEGCSA-N 475.040 4.699 50 10 JJGE CCn1cc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)nc1Br 2146627762 RMNKZKYTSIKVNS-LBPRGKRZSA-N 464.983 4.847 50 10 JJGE CC(C)(C)OC(=O)NCCCN(C[C@H](CBr)c1ccccc1)CC(F)(F)F 2163064037 SIGQSHHGTQGENO-INIZCTEOSA-N 453.343 4.944 50 10 JJGE O=C(c1c(Br)cccc1Br)N1[C@H](CBr)C[C@H]2CCC[C@@H]21 2164664956 UGQSFTFCAKDYJH-NRUUGDAUSA-N 466.011 4.990 50 10 JJGE C[C@@](CI)(OCCN1CCCCC1)c1ccccc1Br 2175838309 UEIOYGZFWSLHJG-INIZCTEOSA-N 452.174 4.602 50 10 JJGE C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc(OCCCBr)cc1 2179830965 QUKGTIZPMPTQQW-KRWDZBQOSA-N 452.414 4.840 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Cl)C2)c1ccc(Br)cc1I 2207269059 YIPKDLCLDBSGOR-VWBVRBGYSA-N 468.560 4.580 50 10 JJGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)Cc1ccccc1Br 2210633105 RXIYUNMDOSAOOE-CQSZACIVSA-N 461.219 4.565 50 10 JJGE C[C@@]1(CCBr)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2277928326 ONNDBIJVCYWXGL-CQSZACIVSA-N 454.000 4.530 50 10 JJGE C[C@@H]1CC[C@H](CBr)CN1C(=O)Cc1cc(Br)cc(Br)c1 2295313172 GFTWXPWRXBOTQE-GHMZBOCLSA-N 468.027 4.776 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@](C)(F)C(C)(C)F)CC1 2307673026 DHDLLKRXUJVRGS-INIZCTEOSA-N 461.331 4.684 50 10 JJGE CC(C)(CI)CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 2326674590 CICKTSZMMOKCEJ-QGZVFWFLSA-N 464.432 4.807 50 10 JJGE CC[C@@]1(C)[C@@H](Cl)CCN1C(=O)c1cc(I)ccc1Br 2336762279 QEKIZUZJVPQQHX-JSGCOSHPSA-N 456.549 4.676 50 10 JJGE CC(C)[C@@H]1C[C@@H](Br)CN1C(=O)c1cccc(Br)c1Br 2344772806 YUQGSKDTYRKLNX-SKDRFNHKSA-N 454.000 4.846 50 10 JJGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3cc(C)cc(C)c3)nc3c(C)cccn3c2=O)cc1 2420184 ALZBETRJUPQROU-HKWRFOASSA-N 480.524 4.966 50 10 JJGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1C 10153294 TVMVBVZGNKUVAW-IBGZPJMESA-N 454.611 4.892 50 10 JJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)c(OCC)c2)sc2c1CCCC2 14150955 LINCCSHGZXSTBV-FOWTUZBSSA-N 454.548 4.757 50 10 JJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1 38683539 UROWRHOEGLLTJH-MUUNZHRXSA-N 490.515 4.993 50 10 JJGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)c1 38684943 BYWOPNZBRMCHKR-HHHXNRCGSA-N 470.525 4.905 50 10 JJGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)c1 40529933 WUFGXUZOTVRZDX-HHHXNRCGSA-N 468.509 4.626 50 10 JJGE Cc1ccc([C@H](C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)cc1 252585148 GNGQBZACCXGVBZ-KKSWQLCSSA-N 499.051 4.884 50 10 JJGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccccc3)nnc2-c2ccc(C)cc2)cc1 254342338 QXEZMUXJVMIYPW-UHFFFAOYSA-N 471.586 4.884 50 10 JJGE COc1cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)cc(I)c1O 254738901 OICLJUTXIIVEMT-UHFFFAOYSA-N 486.265 4.669 50 10 JJGE CCC(CBr)(CBr)NC(=O)c1cccc(OCc2ccccc2)c1 380104901 JLVFUOQYACNJJM-UHFFFAOYSA-N 455.190 4.934 50 10 JJGE CC1=C(C(=O)NN=Cc2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 1084192844 YQCXBZPVHHMHIM-KRWDZBQOSA-N 453.782 4.590 50 10 JJGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1)NC12CC3CC(CC(C3)C1)C2 1565521777 OZHFBTZSKIZVMH-UHFFFAOYSA-N 471.193 4.519 50 10 JJGE O=[N+]([O-])c1ccc(-n2nc(-c3cccc(I)c3)cc2CCl)c([N+](=O)[O-])c1 1614820867 GPWJWKUOTSPFIW-UHFFFAOYSA-N 484.637 4.699 50 10 JJGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1OC 1865696350 DUOKUCPQDDIQPD-NRFANRHFSA-N 495.377 4.877 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865706779 FKENJQMGLJLEMG-OAQYLSRUSA-N 495.377 4.823 50 10 JJGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711116 PZYICMIGHQVBLM-JOCHJYFZSA-N 480.952 4.722 50 10 JJGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(OCc4ccccc4)cc3)c(C)n2)cc1 1865757098 MYECRONLSDLZMV-UHFFFAOYSA-N 467.525 4.719 50 10 JJGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C(=O)C3CCCCC3)CC2)n1 1868389425 UJUZHESUQGETAH-UHFFFAOYSA-N 464.639 4.975 50 10 JJGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C(F)(F)F 1892593982 TYVNUGSHDVSSHC-YNEHKIRRSA-N 475.346 4.853 50 10 JJGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1Br 1915112231 ZJBUBGUDIQVWMI-CYBMUJFWSA-N 479.209 4.953 50 10 JJGE C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1985346569 DVLGAKKUEZHAPI-SJORKVTESA-N 463.710 4.518 50 10 JJGE CC1(C)CN(C(=O)c2csc(Br)c2Br)CC[C@@H]1Br 2032953825 QXVVEWVLQFNRMF-QMMMGPOBSA-N 460.029 4.909 50 10 JJGE CC(F)(F)C[C@@H](CBr)NCc1cc(Cl)ccc1I 2050364625 MWTOHPNCCKTJMZ-JTQLQIEISA-N 452.508 4.843 50 10 JJGE Cl[C@@H]1CN(c2ncc(I)cc2Br)CC12CCCCC2 2133377563 HTMABBFFJYBCDN-GFCCVEGCSA-N 455.565 4.827 50 10 JJGE CC[C@H](C)[C@H](Br)CNS(=O)(=O)c1cc(Br)c(C)cc1Br 2146589315 RMTPPZZKYRRIOT-QPUJVOFHSA-N 492.071 4.608 50 10 JJGE N#Cc1cccc(COc2c(Br)cc(CBr)cc2Br)n1 2182297048 AYQUPYDRBMALGK-UHFFFAOYSA-N 460.951 4.952 50 10 JJGE CO[C@H]1CC(Oc2c(Br)cc(Br)cc2CBr)C[C@@H]1OC 2187178286 SKLRIVHUQMKNFT-STQMWFEESA-N 472.999 4.678 50 10 JJGE CCN(c1ncc(I)cc1Br)[C@H]1CCC[C@H]1Br 2212907583 ZRCQTTQDFISRPQ-KOLCDFICSA-N 473.978 4.591 50 10 JJGE Cc1ccc(C(=O)N2CCCC[C@@H]2CCCBr)cc1I 2232826285 LCXNIBBAAJHDOM-CQSZACIVSA-N 450.158 4.769 50 10 JJGE Fc1ccccc1[C@@H](CI)OCCOCCOCCOCc1ccccc1 2236087822 ACPAOCOOKDJNNG-OAQYLSRUSA-N 488.337 4.568 50 10 JJGE CS(=O)(=O)[C@H]1C[C@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)C1 2269776093 LUSMOPIZHXWWDZ-NQYJQULFSA-N 479.003 4.610 50 10 JJGE BrC[C@@H]1CC[C@H]2CN(Cc3cc(Br)ccc3Br)C[C@H]2O1 2289331141 OLODTMLTXFTBDP-VZJVUDMVSA-N 468.027 4.586 50 10 JJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)c1 2314634563 IQJJADSFNKUWTQ-AREMUKBSSA-N 454.482 4.541 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CCC2CC1(CBr)C2 2314864137 VQFXNMQGFQLPEN-UHFFFAOYSA-N 458.013 4.663 50 10 JJGE FC(F)(F)[C@@H]1[C@H](Cl)CCCN1c1ncc(I)cc1Br 2344080023 SHJQPAFZWIMZMX-BDAKNGLRSA-N 469.470 4.587 50 10 JJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2ccc(I)c(Cl)c2)[C@@H]1C 2344520856 PVYJDIRLHMXPEV-NGZCFLSTSA-N 456.549 4.579 50 10 JJGE ClCc1cc(Cl)cc(Br)c1OCc1ncc(I)cn1 2353070702 IDXYXZKCANBSAX-UHFFFAOYSA-N 473.923 4.815 50 10 JJGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 14652838 HRRKEWNMDQQAJH-UHFFFAOYSA-N 483.362 4.892 50 10 JJGE N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1O 33670967 ATLLHOJKHJRBAH-LCYFTJDESA-N 454.236 4.869 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1 38650376 JWCDRKCJGHXESQ-SANMLTNESA-N 456.498 4.515 50 10 JJGE Cc1ccc([C@H](C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)cc1 97914488 GNGQBZACCXGVBZ-OQCCKMSPSA-N 499.051 4.884 50 10 JJGE CCCN(C(=O)CCl)[C@@H](C(=O)NC1CCCCCC1)c1ccc(OC(C)C)c(OC)c1 97914882 BRMHOPMWIASGLC-HSZRJFAPSA-N 453.023 4.840 50 10 JJGE Cc1cccc(Cn2cccc(C(=O)N/N=C\c3ccc(OCc4ccccc4)cc3)c2=O)c1 169918095 SIQBGUWEGLXYGN-MIXAMLLLSA-N 451.526 4.548 50 10 JJGE CC(=NNC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccc(Br)cc1 252485907 CBKPRFGJLMWACO-UHFFFAOYSA-N 454.299 4.995 50 10 JJGE Cc1ccc(OCC(=O)NN=Cc2cccc(OC(=O)c3ccccc3Br)c2)cc1 254417032 OVYSEARFBQHNNP-UHFFFAOYSA-N 467.319 4.506 50 10 JJGE COc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccccc1 254624413 OSISMHFICHTQQP-UHFFFAOYSA-N 466.537 4.660 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CCSC[C@@H]1CCBr 689279942 PYHFKLQQHVUEAB-JTQLQIEISA-N 472.040 4.554 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 705439010 MSWLEWUUICNEGC-XHNCKOQMSA-N 472.040 4.909 50 10 JJGE COc1ccc(C)cc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2cc(Cl)ccc2Cl)c1C 725381638 VXGUWWPFVSZLQI-UHFFFAOYSA-N 473.360 4.807 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)OCc2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)n1 782094157 DELMXWDZWLKUKH-LDADJPATSA-N 461.865 4.676 50 10 JJGE COCc1cc(C)nc2sc(C(=O)NN=Cc3c[nH]c4ccc(OC)cc34)c(-n3cccc3)c12 1081098338 FYCFNDRCWUNQAQ-UHFFFAOYSA-N 473.558 4.796 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1 1084024465 WPMQIGNIWUZVCR-VWLOTQADSA-N 477.517 4.536 50 10 JJGE CC(C)(C)COC(=O)NN=Cc1ccc(OCc2ccccc2C#N)c(I)c1 1084494814 YHEABSJOBGIUEJ-UHFFFAOYSA-N 491.329 4.848 50 10 JJGE N#CC1=C2Sc3ccccc3N2C(N)=C(C(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 1088719477 JZZGTTLCUQVSOQ-JOCHJYFZSA-N 451.507 4.913 50 10 JJGE CC(=O)N1C[C@@H](CI)[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 1614615677 MUJYIAZPHJXLGB-MFKMUULPSA-N 465.175 4.721 50 10 JJGE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701645 AISNQVYDUKCORZ-SFHVURJKSA-N 459.706 4.954 50 10 JJGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccc[nH]2)C(C#N)=C(N)O3)cc1 1865710244 RVXQDVNQARFNLH-HSZRJFAPSA-N 451.530 4.770 50 10 JJGE CSCC[C@H](NC(=O)[C@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866703237 QZAXEYZDXQKFOC-RPWUZVMVSA-N 490.654 4.858 50 10 JJGE COc1ccc([C@@H](C(=O)NC(C)(C)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1OC 1866984065 GWJNDOBQISTAQV-NRFANRHFSA-N 455.580 4.550 50 10 JJGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(F)cc1I 1914229781 TTXLKUSCVAOXOH-GFCCVEGCSA-N 476.127 4.856 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@@]2(CCC[C@H]2Br)C1 1918940892 SDASBTRCKKVMJO-HIFRSBDPSA-N 466.011 4.991 50 10 JJGE O=C(NC1(C(F)(F)F)CCC(Br)CC1)c1csc(I)c1 1924693447 KWBMZOIGGISPRL-UHFFFAOYSA-N 482.103 4.721 50 10 JJGE O=C(NC[C@H](CBr)C1CCC1)c1cc(Br)c(Br)s1 2029475033 MJAXGKJKDLOZPU-QMMMGPOBSA-N 460.029 4.814 50 10 JJGE FC(F)c1cc(I)c(CBr)cc1I 2060236001 OWSDQBIEWUYZIO-UHFFFAOYSA-N 472.836 4.728 50 10 JJGE CC[C@H](C)[C@H](CI)NC(=O)c1c(Br)cccc1Br 2081246571 OQOFZQMXNQKKDQ-KWQFWETISA-N 488.989 4.791 50 10 JJGE O=C(NC[C@@H]1CCCC[C@H]1Cl)c1ccc(Br)cc1I 2142284402 BQIJQDUCZLUFAZ-JOYOIKCWSA-N 456.549 4.581 50 10 JJGE Cc1cc(Br)c([C@H](Br)[C@H]2CCn3ncnc3C2)cc1Br 2165256789 BZXMPFJKDOYHGH-LKFCYVNXSA-N 463.999 4.810 50 10 JJGE CC(C)(C)OC(=O)N1CC[C@@H](C(F)(F)F)N(Cc2ccc(CBr)cc2)CC1 2182844218 AYPRBNQYTYJNQX-INIZCTEOSA-N 451.327 4.955 50 10 JJGE F[C@@]1(CC(CBr)(CBr)c2ccccc2Br)CCOC1 2229972343 YKURODMLELWLDQ-CQSZACIVSA-N 458.991 4.995 50 10 JJGE Cc1ccc(C(=O)N2CCCC[C@@H]2C[C@H](C)Br)cc1I 2232830578 ZHRRBSHWMGUSDD-GXTWGEPZSA-N 450.158 4.768 50 10 JJGE CCOc1ccc(-c2csc(C(C#N)=CNc3cc(OC)c(OC)cc3C(=O)OC)n2)cc1 2295934445 ZHHULYUHNQDLHT-UHFFFAOYSA-N 465.531 4.989 50 10 JJGE CC[C@@](C)(CO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)C(F)F 2299750053 PJCJMDUKUODAOC-IRXDYDNUSA-N 461.331 4.889 50 10 JJGE Cc1cc(C(=O)N[C@H](CCCl)COCc2ccccc2)ccc1I 2303700433 IZVQDBUNMKWOEE-QGZVFWFLSA-N 457.739 4.544 50 10 JJGE BrC[C@@H]1CCCN(Cc2ccc(I)c(Br)c2)C1 2306219584 NUURJIZNEIYDFF-NSHDSACASA-N 472.990 4.661 50 10 JJGE COC(=O)COc1ccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 2313570803 GORSRXYMAYWACC-UHFFFAOYSA-N 484.133 4.853 50 10 JJGE CCOc1ccc(C=C(C#N)C(=O)N(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1OC 2314777449 FVBRJEIMDHOKAE-UHFFFAOYSA-N 476.554 4.731 50 10 JJGE COc1ccc(-c2csc3ncn(CC(=O)C(C#N)=C4Nc5ccccc5S4)c(=O)c23)cc1 2320729540 DLNCBXAJMNMNDG-UHFFFAOYSA-N 472.551 4.656 50 10 JJGE COc1c(Br)cc(C)c([C@H](Br)C2COCCOC2)c1Br 2365195708 DTCDWDWSHAKTTJ-GFCCVEGCSA-N 472.999 4.628 50 10 JJGE Cc1ccc(/C=N/NC(=O)COc2c(C)cc(Br)cc2Br)c(C)c1 13979669 IEBSGMUNHUXGIV-ZVBGSRNCSA-N 454.162 4.666 50 10 JJGE CCCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 14029503 LQSZKSYFGJHRSS-UHFFFAOYSA-N 451.567 4.849 50 10 JJGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OC)c(OC)c1 38658650 DDWFLHURJHNXOJ-AREMUKBSSA-N 486.524 4.930 50 10 JJGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3)nc3c(C)cccn3c2=O)cc1C 39858508 QMEIGYXSQWRQPT-HKWRFOASSA-N 450.498 4.958 50 10 JJGE C=CCc1cc(/C=N/NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)cc(OC)c1OCC(=O)O 59249678 IGTFPHSRYYYSOO-CCVNUDIWSA-N 495.963 4.712 50 10 JJGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244581 MMBSOQGWJHFMEF-YMGIJWJESA-N 473.529 4.899 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1 214284455 WFIOJSDSQVROJG-UQQQWYQISA-N 496.567 4.567 50 10 JJGE O=C(NC[C@@H]1CCC[C@H](Cl)C1)c1cc(Br)ccc1I 227733763 HLUXGOVUZZROOH-KOLCDFICSA-N 456.549 4.581 50 10 JJGE C[C@H](Br)C1CCN(C(=O)c2cc(Br)ccc2Br)CC1 235460789 LKTVNGXKICIUBV-VIFPVBQESA-N 454.000 4.847 50 10 JJGE O=C(N[C@@H](CCl)c1ccccc1)c1cc(Br)ccc1I 236035354 YPFBUCOBEUGGRM-AWEZNQCLSA-N 464.528 4.764 50 10 JJGE Cc1cccc(OCC(=O)NN=C2C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)c1C 254288250 KRDYYNXWEXQHHU-UHFFFAOYSA-N 492.373 4.512 50 10 JJGE Cc1ccc(CSc2nnc(SCC(=O)NN=C/C=C/c3ccccc3[N+](=O)[O-])s2)cc1 254669065 OEZXBAYBDZDBNP-AMMWPMSASA-N 485.616 4.955 50 10 JJGE aggregator CCC(=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(OC)cc1)c1ccc(O)cc1 254791963 QQMCSVXQXHXTQL-UHFFFAOYSA-N 487.585 4.671 50 10 JJGE Cc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c(F)c1 382684297 GLKOWQFBRLNMCI-SJLPKXTDSA-N 453.295 4.921 50 10 JJGE C[C@@H]1CCN(C(=O)c2cc(Br)c(Br)s2)C[C@@H]1CBr 700414019 DMYADGUAZCMENI-SFYZADRCSA-N 460.029 4.766 50 10 JJGE C[C@H]1c2ccc(CNC(=O)/C(C#N)=C/c3cccc(Br)c3)n2CCN1C(=O)OC(C)(C)C 1866130850 QCAJZEGEBLEPIS-IQFISFIMSA-N 499.409 4.786 50 10 JJGE COc1ccc(-c2csc(CCC(=O)NC(C)(C)C(=O)Nc3ccc(SC#N)cc3)n2)cc1 1867074633 IVSAAXMRXGHCHH-UHFFFAOYSA-N 480.615 4.858 50 10 JJGE CC1(C)[C@@H](Br)CCCN1C(=O)c1ccc(I)c(Cl)c1 1887814647 MOVGTMFCTATHAE-LBPRGKRZSA-N 456.549 4.723 50 10 JJGE BrCC(CBr)(CC[C@H]1COCCO1)c1ccc(Br)cc1 1916659776 QBAOSVWIXJYTDJ-AWEZNQCLSA-N 471.027 4.672 50 10 JJGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1cc(Br)c(Br)s1 2042544866 IBOFUKNHDPDJFB-JVZYCSMKSA-N 458.013 4.565 50 10 JJGE COc1sc([C@@H](Br)c2c(C)nn(C)c2Br)cc1Br 2065889902 GQDWTOUYJCGCBM-SECBINFHSA-N 459.001 4.808 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(I)ccc2Br)[C@H](C)C[C@H]1Cl 2093100661 GMNRATQCYRWBGV-JRKPZEMJSA-N 456.549 4.532 50 10 JJGE CCn1cc(Br)c(COc2c(Br)cccc2CBr)n1 2124748806 NZUNRXKTLGPDRB-UHFFFAOYSA-N 452.972 4.902 50 10 JJGE CC(C)(C)OC(=O)N1CCC([S@](C)(=O)=NC[C@@H](CBr)c2ccccc2)CC1 2163064877 WRFYRDQOUPHMOQ-CRYYWNKWSA-N 459.450 4.662 50 10 JJGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CO[C@@H]3COC[C@H]32)c1Br 2201072294 LXXSFUIPUDKADW-PETRGTFGSA-N 469.011 4.926 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(CCCCCI)CC1 2214705550 UKQLEJCZRCTRQP-QGZVFWFLSA-N 450.405 4.703 50 10 JJGE Cc1cc(F)c(Br)cc1C(=O)N(C)C[C@H](Br)COCc1ccccc1 2258018098 ZALCRDKISSJHAK-HNNXBMFYSA-N 473.180 4.949 50 10 JJGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cnn(C)c1I 2264360290 BIRDPNJBXZLCHS-LLVKDONJSA-N 475.939 4.824 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 2283660553 CMCJJFPQLJGCJY-SDDRHHMPSA-N 468.560 4.580 50 10 JJGE C[C@H]1CC[C@@H](CBr)CN1C(=O)Cc1cc(Br)cc(Br)c1 2295313174 GFTWXPWRXBOTQE-QWRGUYRKSA-N 468.027 4.776 50 10 JJGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 2297381969 GTOJCJMOXQVLSF-UHFFFAOYSA-N 469.585 4.996 50 10 JJGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(OC)cc1 2314593240 JYUVREGOIZUGFU-FQEVSTJZSA-N 488.396 4.730 50 10 JJGE CCOCCCN1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)c(OCC)c2)C(C)=C(C#N)C1=O 2314618563 PPOIASYGBWAIAZ-UHFFFAOYSA-N 488.584 4.992 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(F)(F)F)CCN1C[C@]1(CBr)CC1(F)F 2379987163 DUPLXGJUOBHIOU-TYNCELHUSA-N 465.301 4.574 50 10 JJGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)COc2cc(C)c(Br)cc2C(C)C)c1 12490353 PIAWBVXSIBRZSA-UHFFFAOYSA-N 491.426 4.918 50 10 JJGE C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(Cl)cc1Cl 14038578 AOHXLILKSNKMGK-OAHLLOKOSA-N 459.329 4.654 50 10 JJGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OCc1cccc(C)c1 32519987 DBZHMKRSMYNFKX-VULFUBBASA-N 461.543 4.966 50 10 JJGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc1 38651348 NTWVJBMXTMVJAE-DEOSSOPVSA-N 462.889 4.551 50 10 JJGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2)ccc1Cl 38652902 MSRUSSPLUSVONL-DEOSSOPVSA-N 464.880 4.990 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(F)c(Cl)c2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40658799 YRIGHENMMBLXSA-UHFFFAOYSA-N 471.663 4.985 50 10 JJGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811619 NIBYKYJFRDSXLG-WPWMEQJKSA-N 465.893 4.693 50 10 JJGE Cc1cc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)ccc1Br 40934458 SWBUALVWPNHPDQ-LDADJPATSA-N 495.329 4.558 50 10 JJGE CCOC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)CC[C@H](O)c3ccccc3)c2C)sc(C)c1C 58890525 ACGUAIGTIAYWLG-QYJQOTDOSA-N 481.618 4.913 50 10 JJGE O=C(N/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1)Nc1ccc(Br)cc1 59105192 OKLDWVFOODYUAB-ZMOGYAJESA-N 468.307 4.882 50 10 JJGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1c(O)ccc2ccccc12 59486860 PMZUPUZUQIOQEI-CTOFZRSPSA-N 486.601 4.566 50 10 JJGE O=C(Cc1ccccc1)Oc1ccccc1/C=N\NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 59500501 UFCCBGXZAXADSL-COEJQBHMSA-N 477.520 4.851 50 10 JJGE Cn1ccnc1CCC(CBr)(CBr)c1ccccc1Br 124565448 IMNLQSBRJIDUDL-UHFFFAOYSA-N 465.027 4.843 50 10 JJGE COc1cc(C[C@@H](Br)CBr)c(Br)c(Br)c1O 231533258 YVWOAUVYLOYLET-ZCFIWIBFSA-N 481.804 4.627 50 10 JJGE C[C@@H](Br)C[C@H]1CCCCCN1C(=O)c1sccc1I 311748335 SVGXUOXTCVWSNO-GHMZBOCLSA-N 456.187 4.911 50 10 JJGE C[C@H](Br)[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1Br 708463485 XGTHRRIWUZOHIH-ZANVPECISA-N 454.000 4.990 50 10 JJGE N#C/C(=C/c1cn(Cc2ccccc2)c2ccc(Br)cc12)C(=O)NC[C@H]1CCCO1 1084046447 YSEZQYZZFLEWOF-PETIARSGSA-N 464.363 4.654 50 10 JJGE COc1cc(Br)ccc1OCC(=O)NN=Cc1ccc(-c2ccccc2Cl)o1 1565517821 DZPDLPYGEFXLRY-UHFFFAOYSA-N 463.715 4.900 50 10 JJGE CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@@]4(C)[C@H](C[C@H](Br)[C@@]4(O)C(C)=O)[C@@H]3CC[C@@H]2C1 1565534924 GEVAMMLEIGNEOT-RFNCPTOESA-N 455.433 4.654 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1O 1865682443 OJQYFBZWDUALAV-QGZVFWFLSA-N 476.842 4.536 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)cc(Br)c1OC(C)C 1865697339 QDUMMTNHRNTPNT-LJQANCHMSA-N 475.387 4.624 50 10 JJGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(F)cc1F)C(C#N)=C(N)O2 1865702094 MMUGMQKLVVOBMQ-GOSISDBHSA-N 457.278 4.694 50 10 JJGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)c1cc2ccccc2oc1=O 1865759330 UWULHSGNBKUCDN-UHFFFAOYSA-N 468.296 4.545 50 10 JJGE CSCC[C@@H](NC(=O)Cc1nc(-c2cccc(F)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866655501 SUTNNGCMVLSHMK-HXUWFJFHSA-N 498.605 4.781 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1OC 1872745263 FBRICTSODBEZEF-LNUHTHKGSA-N 461.543 4.669 50 10 JJGE COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc1OCc1ccccc1F 1873795025 NYXQDTXJWPTDNU-MMOHFDRGSA-N 487.572 4.803 50 10 JJGE CCN(C[C@](C)(CI)O[C@H]1COC2(CCCCC2)C1)C(=O)OC(C)(C)C 1879028819 GPNZBDXMGNVYRI-APWZRJJASA-N 481.415 4.946 50 10 JJGE O=C(NCC[C@@H]1CCC[C@H]1Cl)c1cc(I)ccc1Br 1913712611 DRYWEGSNTXHHFO-TVQRCGJNSA-N 456.549 4.581 50 10 JJGE CC1(C)CC[C@H](Br)[C@@H](CNC(=O)c2sccc2I)C1 1927041716 JRUFKHPULUEJHP-ZJUUUORDSA-N 456.187 4.672 50 10 JJGE CCC[C@H]1CN(c2ncc(I)cc2Br)C[C@H]1CBr 2084891074 XEQPISGBCYNSBO-VHSXEESVSA-N 488.005 4.696 50 10 JJGE CC1(C)CC[C@H](Br)CN1C(=O)c1ccc(Br)cc1Br 2099880855 ZDBAJGYMWZKKLC-JTQLQIEISA-N 454.000 4.990 50 10 JJGE CC(C)CN1C[C@@H](Br)[C@@H](Cc2cc(Cl)ccc2I)C1 2100727096 LVRYRTHQHWQOKB-GXTWGEPZSA-N 456.593 4.838 50 10 JJGE O=S(=O)(Cc1ccc(CBr)cc1)N(CCC(F)(F)F)Cc1ccccc1 2123198511 FAPUDIPOOZZDLA-UHFFFAOYSA-N 450.320 4.866 50 10 JJGE CN([C@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Cl)c1 2123270475 NGPXLAVTXSVVFQ-RBUKOAKNSA-N 458.805 4.603 50 10 JJGE CC(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1ccc(I)c(Cl)c1 2126102920 VHKCQXNGCQTCSU-GXFFZTMASA-N 456.549 4.579 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@H](Br)[C@H]2CC[C@H]21 2133723835 SKBJPZLVRUYURE-JIMOISOXSA-N 451.984 4.600 50 10 JJGE CC(C)(C)[C@@H](CCl)CNC(=O)c1ccc(Br)cc1I 2142280013 XVYCYDLACXFGCI-VIFPVBQESA-N 458.565 4.685 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CC2(CC[C@H]1CBr)CC2 2154165198 AEXSLVOPUUJGRW-NSHDSACASA-N 468.560 4.724 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1C[C@@H](Br)CCC12CCC2 2174541236 WKYHCSLVZFSKMX-JTQLQIEISA-N 468.560 4.867 50 10 JJGE CCN(CC)[C@H](C)CO[C@@](C)(CI)c1ccccc1Br 2175834628 KQTWWVVJKRJPTF-CJNGLKHVSA-N 454.190 4.846 50 10 JJGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OC1(C)C2CC3CC(C2)CC1C3 2259065600 JZIZEMLNRGTKHT-IWTNNEHZSA-N 463.400 4.936 50 10 JJGE O=C(N[C@@H]1CCCC[C@@H]1CBr)c1ccc(Cl)c(I)c1 2268351046 VASZOXIDALCEBG-ZWNOBZJWSA-N 456.549 4.628 50 10 JJGE C[C@@H](Br)CN(C(=O)c1ccc(I)c(Cl)c1)C(C)(C)C 2272448980 AOPJRTBKGQXMIL-SECBINFHSA-N 458.565 4.969 50 10 JJGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2293038514 IJPISXVNTLAGTA-QHCPKHFHSA-N 457.555 4.639 50 10 JJGE COc1c(Cl)cc(CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2Br)cc1Cl 2317894251 WFVMOPYOQOBSRW-SMDDNHRTSA-N 455.176 4.901 50 10 JJGE C[C@@H](Br)[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1I 2340058540 RLDQXNUIFBWDMP-RNCFNFMXSA-N 456.549 4.723 50 10 JJGE Cn1nc([C@H](Br)c2cc3c(cc2Br)OCCC3)cc1Br 2369619675 WGHIXSXURGTXJG-CQSZACIVSA-N 464.983 4.754 50 10 JJGE CCc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccccc2[C@@H](C)CC)c(Br)c1 9873583 JXXVIFBHDFVSQP-JKSUJKDBSA-N 477.399 4.519 50 10 JJGE CC(C)COc1ccc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 14642267 NAPWATCPFQMOPZ-UHFFFAOYSA-N 497.389 4.991 50 10 JJGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)o2)C1=O 17146111 ZSCLPOCJRSPGSU-HMAPJEAMSA-N 474.472 4.500 50 10 JJGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 33881949 JURQCMXCLHQXIW-SILNSSARSA-N 450.498 4.903 50 10 JJGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OC)c(OC)c1 38658645 OKRXEFCJUWVWJF-RUZDIDTESA-N 472.497 4.540 50 10 JJGE O=C(NNc1ncnc(Oc2ccc3ccccc3c2)c1[N+](=O)[O-])c1ccc(Br)cc1 40586650 YHPOGBRVUIDRDJ-UHFFFAOYSA-N 480.278 4.850 50 10 JJGE O=C(NNc1ncnc(Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-])c1ccc(Br)cc1 40588819 IAJYXDMJBLRXAU-UHFFFAOYSA-N 497.231 4.667 50 10 JJGE O=C(NNc1ncnc(Nc2cccc(Cl)c2Cl)c1[N+](=O)[O-])c1ccccc1Cl 40646711 KZGMPVCQQBWWKR-UHFFFAOYSA-N 453.673 4.846 50 10 JJGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCCC)c(OC)c2)cc1 207106915 PHWQWESBVHAGBC-WAEYBMNLSA-N 462.546 4.926 50 10 JJGE O=C(NCc1ccc(CCl)cc1)c1cc(Br)ccc1I 236024587 SKEPIHUIPRWUHJ-UHFFFAOYSA-N 464.528 4.723 50 10 JJGE O=C(NCC1(CBr)CCCC1)c1cc(Cl)ccc1I 236065483 BGWYJYTXCJSYOE-UHFFFAOYSA-N 456.549 4.630 50 10 JJGE Cc1onc(-c2ccccc2)c1C(=O)NN=Cc1cc(Br)c(Br)o1 252620229 LZSUOGPQINJTTQ-UHFFFAOYSA-N 453.090 4.532 50 10 JJGE O=C(N[C@H](CBr)C1CCCCC1)c1ccc(F)cc1I 386257022 LZPDZPINYLNVAF-CQSZACIVSA-N 454.121 4.504 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)NCc2ccccc2CN2CCCC2)c(-c2ccc(Cl)cc2)n1 843464574 GYQBJWWYTDQPJW-JLPGSUDCSA-N 499.018 4.936 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2ccc3oc(=O)ccc3c2)c(-c2ccc(Cl)cc2)n1 918669613 FVWLTEKMKISSQM-LDADJPATSA-N 469.888 4.769 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)NCc2cccc(Cn3cccn3)c2)c(-c2ccc(Cl)cc2)n1 918676937 DSXXYWVFQASTQB-HZHRSRAPSA-N 495.974 4.585 50 10 JJGE CCOc1ccccc1N(CC(=O)NN=Cc1cccc2ccccc12)S(=O)(=O)c1ccccc1 1083916928 FXJYXXPLNWPMHF-UHFFFAOYSA-N 487.581 4.584 50 10 JJGE CC(C)Cc1ccc([C@H](C)C(=O)NN=C2C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 1083943315 OYXAFKGYYWHRGX-IBGZPJMESA-N 484.556 4.964 50 10 JJGE C[C@@H](SCc1ccccc1)C(=O)NN=Cc1cc(Br)cc(Br)c1O 1084360376 RXWWELOSZCMJSU-LLVKDONJSA-N 472.202 4.689 50 10 JJGE C[C@@H](NC(=O)NNC(=O)c1ccc(Br)cc1)c1ccc(OCc2ccc(F)cc2)cc1 1322459922 IKQUZLGTGHSXBZ-OAHLLOKOSA-N 486.341 4.872 50 10 JJGE CC(=O)c1cc(C(=O)NNC(=O)c2ccc(COc3ccc(Cl)c(C)c3)cc2)ccc1C 1538926112 CDABMFUZKBBTFR-UHFFFAOYSA-N 450.922 4.813 50 10 JJGE C#Cc1ccc(NC(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c(Cl)c1 1673386777 PBUFTUOEDMYHEO-UHFFFAOYSA-N 455.905 4.641 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)nc1 1772746872 AYNYPXXQEGVVIA-UHFFFAOYSA-N 481.896 4.576 50 10 JJGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)N4CCCc5ccccc54)c(C)c32)c1 1772749586 NFPVEDPAWCHGLY-UHFFFAOYSA-N 457.530 4.660 50 10 JJGE CCc1ccc(OCCCC(=O)NN=Cc2ccc(Br)o2)c(Br)c1 1772755517 KLRYWOBQNGSALS-UHFFFAOYSA-N 458.150 4.676 50 10 JJGE CCOc1ccc(/C=C/C(=O)Nc2cccc(C(=O)Nc3ccc(SC#N)cc3)n2)cc1OC 1860560973 DLFBYHJDABAKOA-RIYZIHGNSA-N 474.542 4.966 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1865680161 ADTGTLYABBTGQM-QFIPXVFZSA-N 470.916 4.881 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)cc1O 1865680926 ABSYNBKUWCELOS-NRFANRHFSA-N 456.889 4.822 50 10 JJGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(N(C)C)cc2)cc1 1865683014 CVNSXWWVVPVZHO-IBGZPJMESA-N 453.468 4.543 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)cc1OC 1865695126 KMZBDGPDLJRLHM-JOCHJYFZSA-N 464.953 4.773 50 10 JJGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)cc1OC 1865697013 NFRZHKAAOKMHKU-QFIPXVFZSA-N 460.534 4.501 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccncc1 1865702659 YPCJTFYLNREBFG-OAHLLOKOSA-N 466.250 4.870 50 10 JJGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)CCC(=O)c1ccc(Cl)cc1 1865755665 KSIUOQNQRKTZHJ-UHFFFAOYSA-N 456.329 4.788 50 10 JJGE CCc1ccc(OCCCC(=O)NNC(=O)CCCc2ccc(C)cc2C)c(Br)c1 1865761027 CBINPRXARUYZES-UHFFFAOYSA-N 475.427 4.958 50 10 JJGE C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866836045 XDTITZRROSWGLU-UUOWRZLLSA-N 461.562 4.944 50 10 JJGE Cc1cc(Br)c([C@H](Br)C2(S(C)(=O)=O)CC2)cc1Br 2048935388 MLSWWLCURVWKPO-NSHDSACASA-N 461.013 4.533 50 10 JJGE COc1cc(Br)c(C(=O)N(Cc2ccccc2)C[C@@H](C)Br)cc1OC 2068779594 ANWLJMDMJIFNAT-CYBMUJFWSA-N 471.189 4.892 50 10 JJGE O=S(=O)(c1ccc(Br)c(CCl)c1)N1CCC(OCc2ccccc2)CC1 2088572760 FPJHJZYIXNUEHQ-UHFFFAOYSA-N 458.805 4.558 50 10 JJGE CCCC(CBr)(CCC)CN=[S@](C)(=O)CC1CN(C(=O)OC(C)(C)C)C1 2109490676 HZISAIKXJSHPCT-AREMUKBSSA-N 453.487 4.933 50 10 JJGE C[C@@H]1CC[C@@H](CBr)N(C(=O)c2cc(Cl)ccc2I)C1 2110617176 PATLBOKXGPTASG-KOLCDFICSA-N 456.549 4.580 50 10 JJGE CCN(CCCCCI)[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2214705017 MDPRMPDTUGYHQS-SJORKVTESA-N 452.421 4.997 50 10 JJGE Cc1cc(C(=O)N2CCC[C@H](CCCBr)C2)ccc1I 2234191318 KFTWEGBJBFIDGS-ZDUSSCGKSA-N 450.158 4.627 50 10 JJGE COc1ccc([C@H](Br)[C@H]2C[C@@H](Br)C2)cc1I 2243917192 PWLWXTKCCFKUGT-SBMIAAHKSA-N 459.947 4.909 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(F)(F)F)CCN1CC1(CBr)CC(F)C1 2280358287 AFJAPFBIBVCXHZ-ZBUZPQQSSA-N 461.338 4.667 50 10 JJGE O=C(c1c(F)cccc1I)N(CCBr)Cc1ccsc1 2282794549 LQCKQYMYHSBMDG-UHFFFAOYSA-N 468.129 4.529 50 10 JJGE COc1ccc([C@H](Br)[C@H]2C[C@H](OC)C23CCC3)cc1I 2285001642 HKUQHXMYYCYQSN-UGFHNGPFSA-N 451.142 4.941 50 10 JJGE COc1ccc2nc(C(C#N)=Cc3ccc(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)[nH]c2c1 2294284742 PUZRBEOMCPJBFT-UHFFFAOYSA-N 468.513 4.970 50 10 JJGE CCOc1ccc(-c2csc(C(C#N)=CNc3cc(C(=O)OC)cc(C(=O)OC)c3)n2)cc1 2297461934 NDJRRKOYECWTAO-UHFFFAOYSA-N 463.515 4.759 50 10 JJGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NCc4ccccc4)c(=O)oc3c2)cc1 2314748093 BUZGIELQMSAMQH-UHFFFAOYSA-N 494.503 4.634 50 10 JJGE CCOc1cc(C=NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccccc1 2321721647 ZWBDAPGRGSDLHM-QFIPXVFZSA-N 481.593 4.762 50 10 JJGE C[C@@H](Br)CCCN(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2361210556 SMSPDAABGKBEPL-MRVPVSSYSA-N 468.038 4.940 50 10 JJGE Cn1cnc(Br)c1[C@H](Br)c1cc(Br)c2c(c1)CCCO2 2362434988 ZLAYXQHGLCWJSK-LLVKDONJSA-N 464.983 4.754 50 10 JJGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(Br)c(C)c1 14768739 FOULUNJSRMSBGP-HSZRJFAPSA-N 497.389 4.808 50 10 JJGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2C)CCC3)cc1 40811520 KHKMZSOXZYOGPR-XHLNEMQHSA-N 473.529 4.796 50 10 JJGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Cl)CCC3)cc1 40812730 RUXHSMPXAOJHBX-TURZUDJPSA-N 479.920 4.751 50 10 JJGE Cc1ccc(OCC(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1Cl 59157981 BOMKEHDEYXPCEI-WYMPLXKRSA-N 484.852 4.786 50 10 JJGE CCCCCCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1 100153688 TVVXELWOYTZLPI-UHFFFAOYSA-N 459.974 4.869 50 10 JJGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 101337335 KEIZGYQBDBIBFY-XMHVBLFMSA-N 462.933 4.690 50 10 JJGE C[C@@H](C[C@@H](C)Br)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 228247150 LNCOTHJENZLKKK-RQJHMYQMSA-N 454.011 4.596 50 10 JJGE C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@]1(OC(=O)c1ccco1)C(=O)CCl 504243564 PGAGVJAYRDPYKY-LHTDUSOASA-N 484.976 4.668 50 10 JJGE C[C@H]1CC[C@H](CCl)CN1C(=O)c1cc(Br)ccc1I 688694128 CSPTVINUUVWDPT-VHSXEESVSA-N 456.549 4.533 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Br)cc1 1084350460 XSVAJRRNCFEDMC-OVCLIPMQSA-N 494.183 4.794 50 10 JJGE CC(=O)N(c1ccc(NC(=O)NNC(=O)c2cc3c(s2)CCCCCC3)cc1)[C@H]1C[C@H]1C 1310777233 DBHBMYRTDXXVOM-QRWLVFNGSA-N 454.596 4.635 50 10 JJGE C=CCOc1ccc(CC(=O)NNC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1 1349407058 HGZYTIFHXBDSSO-UHFFFAOYSA-N 451.526 4.779 50 10 JJGE Cc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1[N+](=O)[O-] 1614696542 ZHNKERDVQKZCCO-ROUUACIJSA-N 480.302 4.690 50 10 JJGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3nc4ccccc4s3)c(C)c21 1772746592 XSAHFHBYBRHHBW-UHFFFAOYSA-N 474.542 4.929 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)cc1OC 1865695128 KOUBDUDXZAEGFF-JOCHJYFZSA-N 464.953 4.773 50 10 JJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1 1865709013 LKIVQCSZPSYZSY-QGZVFWFLSA-N 488.853 4.608 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 1865709150 PFWIRHDGPOCMNS-NRFANRHFSA-N 480.927 4.681 50 10 JJGE CC(C)(C)OC(=O)N1CC(N(CC2(CBr)CCCC2)OCc2ccccc2)C1 1884744067 MNNAGFDVUYMXGM-UHFFFAOYSA-N 453.421 4.995 50 10 JJGE CC[C@H](N)Cc1cc(Br)c(OC[C@H]2C[C@@H]2Br)c(Br)c1 1887907658 IFACXYNAXRBWKJ-VWYCJHECSA-N 456.016 4.654 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CC[C@H](Br)C12CCC2 1914420796 XXCXYXYRCIRDDM-VIFPVBQESA-N 458.013 4.805 50 10 JJGE O=S1(=O)CCC[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924608588 KOQLHEIRBDHISD-FBCQKBJTSA-N 487.460 4.893 50 10 JJGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1cccc(Br)c1Br 2104409241 WDJAKVHOIUDLHS-FCMYFTRRSA-N 451.984 4.503 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@H]([S@@](C)(=O)=NCC2(CBr)CCCCC2)C1 2106787056 XRPLXHWSISLIHT-AKJBCIBTSA-N 451.471 4.829 50 10 JJGE CN(C(=O)c1cc(Br)ccc1Br)[C@@H](CCBr)C(F)F 2121995644 OAIZWARRXAETFU-JTQLQIEISA-N 463.942 4.702 50 10 JJGE Cc1ccc(C(CBr)(CBr)Cc2cnn(C)c2Br)cc1 2173258262 QXRFKBDRGFRHMC-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE COc1cc(-n2cc(CC[C@@H](C)Br)nn2)c(Br)cc1Br 2189285015 PTICQDVFBRSUEN-MRVPVSSYSA-N 467.987 4.517 50 10 JJGE Cc1ccc(C(=O)N[C@@H](CBr)c2ccsc2)cc1I 2224629590 QMJHYVPBEJDPAV-ZDUSSCGKSA-N 450.139 4.527 50 10 JJGE C[C@@H](CBr)CCCNC(=O)Cc1cc(Br)cc(Br)c1 2277915299 JQHNLWKAJIGPLG-SNVBAGLBSA-N 456.016 4.682 50 10 JJGE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CCC2=NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2297708838 WMVYBBWDFRHJPT-XAISMOLKSA-N 478.505 4.851 50 10 JJGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1cc(Br)sc1Br 2310048858 XGLLPPJYLLJBBI-UXXCCHNYSA-N 458.013 4.565 50 10 JJGE N#CC(C(=O)Nc1ccccc1)=C1C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 2313638067 WCDSZHDRJMKNPL-UHFFFAOYSA-N 458.315 4.912 50 10 JJGE CCCCOc1ccc(C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OCC 2314616913 MUHUYDHACNJZDF-UHFFFAOYSA-N 488.540 4.785 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN=Cc1ccc(OCc2cccc(Cl)c2)cc1 2328799240 RCRARPCTCOCNCK-NRFANRHFSA-N 457.958 4.769 50 10 JJGE CC1(C)CC(CBr)(CN=[S@](C)(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 2345008762 UEICQEWNVBYCLL-QWXGXRTQSA-N 451.471 4.685 50 10 JJGE CC(C)[C@@H](NC(=O)OC(C)(C)C)c1csc(NC(=O)N2CCC(Br)CC2)n1 2362642553 DIUALBWOPROTRE-CQSZACIVSA-N 461.426 4.756 50 10 JJGE O=C(c1ccco1)N(/N=C/c1ccc([N+](=O)[O-])o1)c1nc2ccc(Br)cc2s1 9148696 ZDIISJBENJXBTO-DJKKODMXSA-N 461.253 4.834 50 10 JJGE CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 9872489 WSGVFUCSWRSRAJ-PMACEKPBSA-N 473.573 4.989 50 10 JJGE COc1cc(C(=O)NNC(=O)c2cn(C)c3ccccc23)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 10736417 PUJLZOXXRQPXAO-UHFFFAOYSA-N 494.891 4.616 50 10 JJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2c[nH]nc2-c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 35516569 FZPWTJYMBCQBSV-XNTDXEJSSA-N 491.529 4.648 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)c1 40527355 JVEXSPTYZSFUCT-VWLOTQADSA-N 456.498 4.920 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)cc1 58893113 LPUPHUXYZQVXTC-JOODZBNRSA-N 451.479 4.526 50 10 JJGE Cc1noc(NS(=O)(=O)c2ccc(N/C=C(/C#N)c3nc4ccccc4s3)cc2)c1C 102903266 IHCYLVOUGHDMMS-QINSGFPZSA-N 451.533 4.679 50 10 JJGE O=C(NC[C@H]1CCC[C@H](Cl)C1)c1cc(I)ccc1Br 227745347 JYUNURKERTZHBH-UWVGGRQHSA-N 456.549 4.581 50 10 JJGE COc1cc(C=NNC(=O)COc2cc(C(C)C)ccc2C)ccc1OC(=O)c1ccccc1 254866822 UJGQQRUJZUUQJD-UHFFFAOYSA-N 460.530 4.875 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(Br)cc2F)[C@@H](CI)C1 382690357 HYRUVILTUPPHHI-GWCFXTLKSA-N 484.147 4.974 50 10 JJGE C[C@@H](Br)[C@H]1CCCCN1C(=O)c1cc(Br)cc(Br)c1 688778321 RTFRJXBGJHCMAL-NOZJJQNGSA-N 454.000 4.990 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@@H](CBr)[C@H](C(F)(F)F)C1 709830819 FKJZUDIOKDMRBZ-PHDIDXHHSA-N 499.972 4.919 50 10 JJGE CCCCCOc1ccccc1C(=O)NN=Cc1c(C)nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 1084032050 IZWWPGWUYAPNLK-UHFFFAOYSA-N 494.508 4.638 50 10 JJGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(-c3ccccc3)ccc2Cl)cc1 1671418038 CXGSRTCVEMTCCT-INIZCTEOSA-N 451.910 4.830 50 10 JJGE CCOc1ccc2cc(C(=O)ON=C3C[C@H]4CC[C@@]3(C)[C@@]4(C)CBr)c(=O)oc2c1 1772721831 FELNQJCIUVFERC-ZLUZWTFRSA-N 462.340 4.926 50 10 JJGE CCC[C@@H](NC(=O)[C@@H](Cc1ccncc1)c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866704599 YXVBEACYGLZFEF-BJKOFHAPSA-N 458.587 4.905 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)c(OC)c1 1872755357 JNVSSNGQBZKHNN-QNGOZBTKSA-N 469.475 4.703 50 10 JJGE FC1(F)[C@@H]2COC[C@@]21[C@@H](Br)c1cc(Br)c(Br)s1 1906050180 DRWXMVCSSTVTAH-FJXKBIBVSA-N 452.940 4.991 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(OC(C)(C)C(F)(F)F)CC1 1990087589 REQISYVNEOIHOX-UHFFFAOYSA-N 451.267 4.549 50 10 JJGE Cc1cc(Br)ccc1S(=O)(=O)N(CCCBr)Cc1ccccc1 1995132514 RQWLFCGNVTYPPD-UHFFFAOYSA-N 461.219 4.733 50 10 JJGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1[N+](=O)[O-] 2013179554 REOQDGSHWNLKPG-GFCCVEGCSA-N 456.134 4.783 50 10 JJGE Cc1c(Br)sc([C@@H](Br)C2(S(C)(=O)=O)CCC2)c1Br 2047871372 DYALLIHYHHVEKO-SECBINFHSA-N 481.069 4.985 50 10 JJGE CC(C)(C)OC(=O)N1CCC([S@@](C)(=O)=NCC2(CBr)CCCCC2)CC1 2106783888 DGMUJLDLHNDEPK-AREMUKBSSA-N 451.471 4.829 50 10 JJGE Brc1cccc([C@@H](CI)OC[C@@H]2CC23CCOCC3)c1 2198365524 GCWDYMJPAKBBNO-DZGCQCFKSA-N 451.142 4.759 50 10 JJGE C[C@@H]1C[C@@H](Br)[C@@H](C)N(C(=O)c2scc(Br)c2Br)C1 2220347234 FQUWHCCYZKAHRJ-BWZBUEFSSA-N 460.029 4.907 50 10 JJGE Cc1nn(C)c([C@@H](Br)c2ccc3c(c2Br)CCO3)c1Br 2238075116 YDCIJCWCEOEISE-ZDUSSCGKSA-N 464.983 4.673 50 10 JJGE Cn1nc(Br)c([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)n1 2272846301 RCMCKSZDDACRPN-ZETCQYMHSA-N 480.332 4.709 50 10 JJGE O=C(O)C(Cl)=C(Cl)C=NNC(=O)c1ccc(COc2ccc(Br)cc2Cl)o1 2294863107 LHIDMWWXCVHGOF-UHFFFAOYSA-N 496.528 4.764 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@H]1CCC[C@@H]1CBr 2295314862 DROMJCBVQOVNFI-VXGBXAGGSA-N 468.027 4.682 50 10 JJGE N#CC(=Cc1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1)C(=O)NCc1ccccn1 2295631730 NTMVNGFFCVZFRA-UHFFFAOYSA-N 498.384 4.979 50 10 JJGE CC(C)(CI)CN=[S@@](C)(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 2306820616 GPKMINYNBSVEQI-DEOSSOPVSA-N 466.385 4.952 50 10 JJGE COc1cc(C=CC#N)ccc1OC(=O)COc1ccc(Br)cc1Br 2314795861 XZEKLWFTPXVHMM-UHFFFAOYSA-N 467.113 4.741 50 10 JJGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1cc(Cl)ccc1Cl 2320392461 LVJXHXYYIJRXIZ-OAHLLOKOSA-N 467.212 4.642 50 10 JJGE Brc1cc(CN2C[C@H]3CC[C@@H](Br)[C@H]3C2)ccc1I 2325226973 VQWNMVIAJCTJIF-GRYCIOLGSA-N 485.001 4.659 50 10 JJGE CC[C@]1(C)[C@@H](Cl)CCN1C(=O)c1cc(Br)ccc1I 2336763341 ZMCSWFPJHZNQSU-GXTWGEPZSA-N 456.549 4.676 50 10 JJGE CC(C)(C)N1C[C@@H](Br)[C@H](Cc2ccc(Cl)c(I)c2)C1 2337219668 VLDQGORYOPVMRS-VXGBXAGGSA-N 456.593 4.981 50 10 JJGE C[C@H]1CN(C(=O)c2ccc(Cl)cc2I)CC[C@H]1CCBr 2365582916 XCHKTNFWEYEUQT-WDEREUQCSA-N 470.576 4.828 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)cc2)cc1 14030670 ZLHHGZOORMAXDQ-UHFFFAOYSA-N 471.623 4.630 50 10 JJGE O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C\c1ccccc1O 19833208 CEHMAJSMHFWGCU-MXAYSNPKSA-N 450.951 4.686 50 10 JJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1 38700942 PUMDYEYEVYUXRI-QHCPKHFHSA-N 490.899 4.573 50 10 JJGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 40815793 ZYKRLTQFWKMJTG-MTDXEUNCSA-N 458.543 4.849 50 10 JJGE CC(C)Cc1ccc([C@@H](C)C(=O)N/N=C2/C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc32)cc1 59147514 WWVKXKROWMJRQR-LGCDCDPDSA-N 484.556 4.964 50 10 JJGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C[C@H]1O[Si](C)(C)C(C)(C)C 195813600 CKWHPVGBUBYJIT-JFIYKMOQSA-N 455.748 4.525 50 10 JJGE in-vitro Cc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 205645698 GLVGAUPLOCJKPD-LJOQBGCZSA-N 453.454 4.740 50 10 JJGE CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(Cc4ccc(OC)cc4)C(=O)C(C#N)=C3C)o2)cc1 214396466 BCAIYNWEOQAWFC-IWIPYMOSSA-N 496.519 4.924 50 10 JJGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=Cc3ccc(O)cc3O)[nH]n2)cc1 254490248 SINNGENRKZFXLF-UHFFFAOYSA-N 450.539 4.991 50 10 JJGE COc1ccc(C=NNC(=O)c2[nH]c3c([N+](=O)[O-])cc(C)cc3c2-c2ccccc2)cc1OC 254730102 MJCFNNWHBGJMQZ-UHFFFAOYSA-N 458.474 4.833 50 10 JJGE O=C(NN=Cc1cc(Br)ccc1OCc1ccccc1)c1cncc(Br)c1 254816242 LFVHSYBGOQKKIA-UHFFFAOYSA-N 489.167 4.950 50 10 JJGE CC(C)(CBr)CCNC(=O)c1cc(I)ccc1Br 385847854 WXTXOYFLCVPATQ-UHFFFAOYSA-N 488.989 4.595 50 10 JJGE C[C@@H](Cl)C1CCN(C(=O)c2ccc(I)c(Br)c2)CC1 721622385 RLWOOBOTUSKTGW-SECBINFHSA-N 456.549 4.533 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C2CCC1(CBr)CC2 722992254 OPKCMMKYROPDBR-UHFFFAOYSA-N 451.984 4.744 50 10 JJGE Cc1ccc(NC(=O)C(=O)NN=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 1084149932 ZQJPUBFVNHCPFZ-UHFFFAOYSA-N 456.329 4.970 50 10 JJGE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc([N+](=O)[O-])c2)CCC3)c1 1772746082 OXMYESSMCQNCQE-UHFFFAOYSA-N 460.490 4.836 50 10 JJGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865710971 MSVMYXMGRXBVTO-OAQYLSRUSA-N 487.343 4.732 50 10 JJGE COc1ccc(-c2ccc(C(=O)NNC(=O)CCCOc3ccc(Cl)cc3Cl)c(C)n2)cc1 1865757346 YOAXQVAMJWWBHK-UHFFFAOYSA-N 488.371 4.993 50 10 JJGE CCN(CC)C(=O)COc1ccc(/C=N\NC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)cc1 1865761895 BJISAWYMTHISRY-NTFVMDSBSA-N 478.980 4.722 50 10 JJGE O=C(COc1ccc(C(=O)NC2CCCCC2)cc1)N/N=C/c1cccc(OCc2ccccc2)c1 1873497159 LTLRMWVSXPDXKN-NDZAJKAJSA-N 485.584 4.857 50 10 JJGE CCOc1c(Br)cc(C[C@@H](CBr)NC(=O)OC(C)(C)C)cc1OC 2008715078 CURLZNCWSZJOHL-LBPRGKRZSA-N 467.198 4.687 50 10 JJGE CN(C[C@H]1C[C@@H]1Br)C(=O)c1ccc(Br)c(NC(=O)OC(C)(C)C)c1 2020199401 DPMUQAOPURELLA-YPMHNXCESA-N 462.182 4.652 50 10 JJGE O=C(Nc1cc(Br)ccc1I)[C@H](Br)C1CCCC1 2048139118 HELTXXQEZNOPMG-GFCCVEGCSA-N 486.973 4.946 50 10 JJGE O=C(c1cc(Br)sc1Br)N1[C@H]2CC[C@@H](C2)[C@H]1CBr 2058374523 RAQVKRJCTSMFDP-ACLDMZEESA-N 458.013 4.661 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@H]2C[C@@H](Br)C[C@H]1C2 2092329047 RGHBNIMLWPBNBY-IVZWLZJFSA-N 451.984 4.600 50 10 JJGE CC[C@H](C)[C@@H](CI)NC(=O)c1cc(Cl)c(C)cc1Br 2136494052 KXVZFLVWMROOJO-ISVAXAHUSA-N 458.565 4.990 50 10 JJGE CC(C)CN(C[C@@H](C)Br)C(=O)c1ccc(I)c(Cl)c1 2272457431 MPUXJOJLEFFCOL-SNVBAGLBSA-N 458.565 4.826 50 10 JJGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C)c(C)c1 2314593428 MVKRGFOGYZRWNO-NRFANRHFSA-N 496.430 4.794 50 10 JJGE BrCC12CC(CCN1Cc1ccc(I)c(Br)c1)C2 2325227656 BWPMUUFBNWIBLE-UHFFFAOYSA-N 485.001 4.803 50 10 JJGE O=C(CCS(=O)(=O)c1ccccc1)N(/N=C/c1ccccc1)c1nc2ccc(F)cc2s1 9148750 DTNSWWOPGIWALA-PCLIKHOPSA-N 467.547 4.667 50 10 JJGE Cc1cc(OCC(=O)NNC(=O)c2ccc(C(C)(C)C)c(Br)c2)ccc1Cl 13979731 KGVJBZBWTGIMBF-UHFFFAOYSA-N 453.764 4.548 50 10 JJGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 14644405 HIEZYXRKOHNAHO-LBPRGKRZSA-N 453.764 4.629 50 10 JJGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc1 34746735 RISVCXXVZYKIQE-XFVSTGHKSA-N 470.573 4.920 50 10 JJGE COc1ccc(/C=C(/C#N)C(=O)Nc2nccs2)cc1COc1c(F)c(F)c(F)c(F)c1F 96438267 NHGGQBMJVNXBIS-WDZFZDKYSA-N 481.402 4.972 50 10 JJGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C1=O 101334100 FUDSZFMJZIKABQ-LSPPGFKNSA-N 466.541 4.939 50 10 JJGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2ccc(N)nc2=O)C[C@H]1O[Si](C)(C)C(C)(C)C 195813601 CKWHPVGBUBYJIT-SOLBZPMBSA-N 455.748 4.525 50 10 JJGE in-vitro C[C@@H]1CCc2c(sc3ncn(CC(=O)NN=Cc4cccc(Oc5ccccc5)c4)c(=O)c23)C1 254483590 HNWRISNAFULTQA-QGZVFWFLSA-N 472.570 4.525 50 10 JJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccccc2)cc1OC 254791107 POQXKZKAXCEUKM-UHFFFAOYSA-N 484.508 4.605 50 10 JJGE Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)s2)cc1 254884244 PJGTWVUBLLWFFY-UHFFFAOYSA-N 453.618 4.863 50 10 JJGE CC[C@@H]1[C@@H](CBr)CCN1C(=O)c1ccc(I)c(Cl)c1 386210514 DGWDBUNIBYEALB-ZWNOBZJWSA-N 456.549 4.580 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)cc1 1084411546 HRGNRQGLHSEJRR-DEOSSOPVSA-N 462.546 4.637 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc([N+](=O)[O-])c(F)c2)C1 1614632312 HEXHQJMRUVZKTN-HZPDHXFCSA-N 484.265 4.521 50 10 JJGE Cc1ccnc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)c1 1772745831 JMKUTCIUOFZTKX-UHFFFAOYSA-N 481.350 4.777 50 10 JJGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1 1865690501 SWLUIWCRBPXJKQ-SFHVURJKSA-N 455.440 4.683 50 10 JJGE COc1ccc(/C=C(\C#N)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc3ccccc3c2)cc1OC 1866131823 PHJUSHXRMJYOHS-XPCGLTFESA-N 471.557 4.934 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@@H](Br)C12CCC2 1914425907 MKKBGSCIFRRJBD-LLVKDONJSA-N 451.984 4.744 50 10 JJGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccccc1Br 1915088646 NKYVUFXQYFGLNT-AWEZNQCLSA-N 461.219 4.814 50 10 JJGE CC(C)(C)OC(=O)N1CCN(C[C@H](CBr)CC2CC2)CCN1C(=O)OC(C)(C)C 1961124524 BTBYSWDZUSYORM-KRWDZBQOSA-N 476.456 4.502 50 10 JJGE O=C(c1ncc(Br)cc1F)N(Cc1ccccc1)C1(CBr)CCC1 2002339382 KDRHHIOYMUVZOQ-UHFFFAOYSA-N 456.153 4.943 50 10 JJGE CC1CC(CBr)(N(C)C(=O)c2cc(Br)sc2Br)C1 2046093074 MIHJHQVTLKUUPS-UHFFFAOYSA-N 460.029 4.909 50 10 JJGE C[C@H]1C[C@H](Br)CCN(C(=O)c2ccc(I)c(Cl)c2)C1 2103287230 PAEIGFVBOJVUQL-GXSJLCMTSA-N 456.549 4.580 50 10 JJGE Cc1csc(CBr)c1S(=O)(=O)N(C)Cc1ccc(Br)s1 2179819171 JCJPVKXAMWTISC-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(CBr)c(Cl)c2)CN1Cc1ccccc1 2179858721 SGIKWWPRFIEWFU-YJBOKZPZSA-N 471.848 4.518 50 10 JJGE CC(C)(C)OC(=O)N1CCCC[C@@H]1CN(CCCCCI)C1CC1 2214705642 VGHDASXAKJAJJO-QGZVFWFLSA-N 450.405 4.846 50 10 JJGE CCOC(=O)C(C#N)=C1S[C@@H](Cc2ccc(C)cc2)C(=O)N1c1ccc(Br)cc1 2293039187 MXHPJVXRYATMGA-IBGZPJMESA-N 471.376 4.747 50 10 JJGE CCOc1cc(C(=O)Oc2ccc(C=C(C#N)C(=O)NC(C)C)cc2OC)cc(OCC)c1OCC 2293202162 MDANGTAAZVDYAY-UHFFFAOYSA-N 496.560 4.542 50 10 JJGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCC#N)c(Br)c2)cc1 2313567818 LNZKSLJMUWUGAJ-UHFFFAOYSA-N 475.140 4.968 50 10 JJGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592205 NUZGBXZLFMTIIL-QHCPKHFHSA-N 455.539 4.760 50 10 JJGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1cc(Cl)cc(Cl)c1 2320355297 WAPXMJQMFRCIMP-INIZCTEOSA-N 467.212 4.642 50 10 JJGE CCN(C[C@](C)(CI)OC[C@H]1C[C@H]2[C@@H](C1)C2(F)F)C(=O)OC(C)(C)C 2320844945 LNRPMAJCNXRGJP-ZJOBFFGXSA-N 473.342 4.745 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@@H]2CCCCC23CCOCC3)CC1 2368355999 YLYHNBRLGYKERB-QGZVFWFLSA-N 493.426 4.947 50 10 JJGE CC(C)c1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 14040274 XXGWFHPFNMRSJX-MRXNPFEDSA-N 477.399 4.690 50 10 JJGE O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1ccc(COc2ccc3c(c2)CCC3)o1 20494160 OTKUZEUHNOIITO-OPEKNORGSA-N 483.318 4.602 50 10 JJGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OCC)c1 38650540 NFNCMPDADYBWFM-VWLOTQADSA-N 456.498 4.921 50 10 JJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1 38658112 YXCADHQVVAJPOF-XMMPIXPASA-N 469.453 4.597 50 10 JJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C/c2ccc(Cl)cc2)c(OCC)c1 40867238 CHPOIWRLIPWLHB-IDXRHMDNSA-N 450.878 4.721 50 10 JJGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(Br)cc2)cc1 58887707 JAKSGBSUQMCDEA-IPLHSMHLSA-N 467.363 4.992 50 10 JJGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246601 MMCMCYSTWXSTPF-GOHCDNDPSA-N 485.565 4.769 50 10 JJGE COc1cc(/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 101336359 KUZMQERMICSTCV-OEAKJJBVSA-N 492.547 4.821 50 10 JJGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C)cc3)nc3ccccn3c2=O)cc1 102684826 HGAWZFAIPSGSEV-MNDPQUGUSA-N 466.497 4.740 50 10 JJGE COc1cc(C=NNC(=O)c2cc3ccccc3cc2O)ccc1OC(=O)/C=C\c1ccccc1 254482048 BQALRXCDERLKDI-XBACBIQZSA-N 466.493 4.937 50 10 JJGE CCOc1cc(C=NNC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)ccc1O 254852348 WTPSCKJAWWAZPT-UHFFFAOYSA-N 456.502 4.524 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2C[C@@H]3CCCC[C@H]3O2)C1 379132315 PNLXKYSSCHIBIT-MIALQEHNSA-N 479.399 4.555 50 10 JJGE C[C@](CI)(OCCOCC1CCC1)c1ccccc1Br 400686061 YYYWOTPUYJHSDV-MRXNPFEDSA-N 453.158 4.933 50 10 JJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(Cl)c2Cl)Cc2ccccc2)cc1 1083889708 HCXUTNNRDBBWKB-UHFFFAOYSA-N 490.412 4.643 50 10 JJGE Cc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2cccc(Br)c2)c1C 1084062306 JVHOZVQNMSFXNI-UHFFFAOYSA-N 487.785 4.907 50 10 JJGE O=C(NN=C1C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1ccc(Br)cc1 1084316426 KNYHIDBXABODMK-NNPAEYOLSA-N 460.331 4.643 50 10 JJGE COc1ccc(C(C)=NNC(=O)CCCSc2nc3ccc([N+](=O)[O-])cc3s2)c(OC)c1 1084432442 OQEGYJQJBZHDMB-UHFFFAOYSA-N 474.564 4.634 50 10 JJGE C=C(C)Cn1c(SCC(=O)NN=C(c2ccccc2)c2ccccc2)nnc1-c1ccco1 1522145473 OXWQBYJUQYLMAQ-UHFFFAOYSA-N 457.559 4.775 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)c1 1865711529 ASWQGIQPOILZFS-QGZVFWFLSA-N 460.843 4.830 50 10 JJGE CC[C@@](C)(NC(=O)Cc1nc(-c2ccccc2C)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866645489 AFLYLCKBSFODOU-RUZDIDTESA-N 462.575 4.998 50 10 JJGE C[C@@H]1CC[C@](CBr)(NC(=O)c2cc(Cl)ccc2I)C1 1880938844 KUZBZWJFZVAZEJ-OTYXRUKQSA-N 456.549 4.628 50 10 JJGE BrCC(CBr)(CC[C@@H]1COCCO1)c1ccc(Br)cc1 1916659777 QBAOSVWIXJYTDJ-CQSZACIVSA-N 471.027 4.672 50 10 JJGE CCC[C@H](Br)CCNC(=O)c1cc(Br)ccc1I 2029920575 BFYTXAULOOAIIM-VIFPVBQESA-N 488.989 4.737 50 10 JJGE Brc1cc(I)cnc1N1C[C@@H](Br)CC2(CCC2)C1 2069534401 UYAWOUIVMBNEJX-VIFPVBQESA-N 485.989 4.593 50 10 JJGE COc1cc(-n2nc(CBr)c(I)c2C(F)(F)F)ccc1C 2079261347 NIEVKMMVZHGSAH-UHFFFAOYSA-N 475.046 4.708 50 10 JJGE CC[C@H](C)[C@H](CBr)NC(=O)c1cc(I)ccc1Br 2081238749 JFCLACMXWGDMMQ-UFBFGSQYSA-N 488.989 4.593 50 10 JJGE CN(C(=O)c1cc(I)ccc1Br)C1CCC(Cl)CC1 2103896344 JYKXCKINPQKXOD-UHFFFAOYSA-N 456.549 4.676 50 10 JJGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)cc1CBr 2179787844 UQLUBBHHZWRKMK-IBGZPJMESA-N 452.414 4.648 50 10 JJGE C[C@@H](CO[C@@H](CI)c1ccccc1Br)N1CCCCC1 2186735879 PTEVLGLMTKPJAO-BBRMVZONSA-N 452.174 4.816 50 10 JJGE CC1(C)[C@H](Br)CCCN1S(=O)(=O)c1cc(Br)ccc1Br 2196913930 IKBFSAOTHIOEOP-GFCCVEGCSA-N 490.055 4.538 50 10 JJGE Cc1cc(C(=O)N[C@@H](CBr)C2CCCCC2)ccc1I 2207108861 ZIMUUJJTZKIXHF-HNNXBMFYSA-N 450.158 4.673 50 10 JJGE C[C@@]1(CNC(=O)c2ccc(Br)cc2Br)CCC[C@@H]1Br 2271298695 RTCXTPAZOQLQRY-JSGCOSHPSA-N 454.000 4.895 50 10 JJGE Cc1cccc(NC(=O)C(C#N)=Cc2cn(CC(=O)NCc3ccco3)c3ccccc23)c1C 2297552004 GJCNDUHOECKJPQ-UHFFFAOYSA-N 452.514 4.713 50 10 JJGE CC1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CS(=O)(=O)C1 2299508642 KFDWIBYIJPKMJH-KRWDZBQOSA-N 474.214 4.899 50 10 JJGE FC(F)CN(CCBr)Cc1ccc(I)c(Br)c1 2306232558 WIDYVJIBDIFZRS-UHFFFAOYSA-N 482.932 4.516 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1 2313545738 BSPMCHAADGSEHO-UHFFFAOYSA-N 467.569 4.920 50 10 JJGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(OC)cc3)ccc21 2314634110 MXEISNZIGQAXSN-MHZLTWQESA-N 468.509 4.931 50 10 JJGE BrCc1ncccc1OCc1ccc(I)c(Br)c1 2325386346 LGOZQESGKHIUTO-UHFFFAOYSA-N 482.941 4.923 50 10 JJGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OCc2ccccc2Cl)c1 2328799233 PPDFSQPOJBKJMW-NRFANRHFSA-N 459.974 4.918 50 10 JJGE O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1cccc(OCCc2ccccc2)c1 10331102 RJSQHKJPTGHUMO-UHFFFAOYSA-N 450.538 4.901 50 10 JJGE O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)/C(=C\c1ccccc1)NC(=O)c1ccccc1 20072358 FOWCLWLRDSTESM-FUMWUCPYSA-N 480.480 4.776 50 10 JJGE CCc1cccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 30768432 PUDXCCMPBZBHOV-UHFFFAOYSA-N 473.573 4.639 50 10 JJGE CCOC(=O)/C(C#N)=C\c1cc(Br)c(OCCOc2ccccc2)c(OCC)c1 33783584 DAFAEPGKEINGRT-ATVHPVEESA-N 460.324 4.776 50 10 JJGE O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 33809155 YGYHLARQHBLPBR-UHFFFAOYSA-N 489.491 4.947 50 10 JJGE CCOc1cc(Br)c(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1OC 34878257 BNRZJIJVKFNTKS-MKMNVTDBSA-N 451.324 4.865 50 10 JJGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)c1 38651656 XLTZFUGCEKDYIV-XMMPIXPASA-N 491.341 4.960 50 10 JJGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1 38677270 OJWTXMVKFMFLSO-LMKMVOKYSA-N 458.489 4.979 50 10 JJGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1 39992857 JASWWANWWOAKAE-HMMYKYKNSA-N 480.524 4.966 50 10 JJGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NCc5ccco5)c(C)c43)coc2c1 40826951 WQQNZAAMAUILRK-ZTKZIYFRSA-N 473.529 4.873 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1 48572201 NCBNRTKFDYCAKB-UXHLAJHPSA-N 489.535 4.790 50 10 JJGE COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 59680228 GNJFTKHSQGXILB-UXHLAJHPSA-N 497.551 4.777 50 10 JJGE O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1OCc1cccc(Br)c1 96286826 OTUYKOKNAHVTIQ-YDZHTSKRSA-N 454.280 4.700 50 10 JJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1 205655969 DAJMJEYRLUYLNI-GUAXOKFESA-N 466.493 4.619 50 10 JJGE CCc1ccc(N(C(=O)/C(C#N)=C\c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 207132808 VVLIOAVJKVNPDE-XLNRJJMWSA-N 460.555 4.895 50 10 JJGE CCC[C@@H](CCBr)CNS(=O)(=O)c1cc(Cl)c(Br)s1 227506002 CFTHNENTWWVLPD-QMMMGPOBSA-N 453.649 4.644 50 10 JJGE O=C(COc1ccccc1-c1ccnn1-c1ccccc1)NN=Cc1coc2ccc(Cl)cc2c1=O 252601436 FAPPIDNPZANNLZ-UHFFFAOYSA-N 498.926 4.828 50 10 JJGE O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)NN=C/C=C/c1ccccc1 254396848 YVTYIMWIWNKJFZ-OZTHODQGSA-N 484.541 4.750 50 10 JJGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=Cc1ccccc1C(=O)O 254403809 GMMWQUVQZKQFFI-UHFFFAOYSA-N 494.623 4.924 50 10 JJGE Nc1c(C(=O)NN=Cc2cccnc2)sc2nnc(-c3ccccc3)c(-c3ccccc3)c12 254573252 NTQZWJXCZACUHO-UHFFFAOYSA-N 450.527 4.766 50 10 JJGE Cc1ccccc1N1CCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 818033322 HKXANILSBALURM-XLNRJJMWSA-N 484.991 4.681 50 10 JJGE O=C(NN=C1c2ccccc2C[C@@H]1NC(=O)c1cccc(Cl)c1)Nc1ccccc1Cl 1088692039 UDPDQIYQYHVNAE-FQEVSTJZSA-N 453.329 4.874 50 10 JJGE CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1556754953 RECAZVYONAGNQN-GOSISDBHSA-N 459.390 4.703 50 10 JJGE C=C(C)c1cccc(NC(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)c1 1640179976 MRYPPHVPLXUYOL-XDHOZWIPSA-N 459.937 4.658 50 10 JJGE CC(=O)N(c1ccc(NC(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1)[C@@H]1C[C@H]1C 1677827431 KZHNYKWEXNYTQS-SJKOYZFVSA-N 456.955 4.783 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)c1OC 1865701097 LTCPBYONTGSAAU-QGZVFWFLSA-N 490.869 4.839 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)Cc1cccc(Br)c1Cl 1884186150 BTSRVIHANAQYLA-NSHDSACASA-N 457.549 4.705 50 10 JJGE C[C@@H](CCBr)N(C)Cc1ccc(I)c(Br)c1 1904343530 JXXKZSSTGGWANE-VIFPVBQESA-N 460.979 4.659 50 10 JJGE O=S1(=O)CCC[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924608587 KOQLHEIRBDHISD-CLZZGJSISA-N 487.460 4.893 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C 2061268063 NQKOFSBKEPNOAY-KSZLIROESA-N 489.748 4.906 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@H](CBr)C12CC2 2070148086 ZMWYORNIMPPECH-ZETCQYMHSA-N 458.013 4.663 50 10 JJGE CC[C@H](CCCBr)NC(=O)c1ccc(Br)cc1I 2086145744 QSDNLUACNZBWCS-SNVBAGLBSA-N 488.989 4.737 50 10 JJGE Cc1c([C@H](Br)[C@H](C)c2ccncc2Br)c(Br)nn1C 2131590393 OSRDCXDECPMISP-JMCQJSRRSA-N 451.988 4.888 50 10 JJGE C[C@@H](Cl)C1CCN(C(=O)c2ccc(Br)cc2I)CC1 2142286291 YQEXEBBHHAWXLP-SECBINFHSA-N 456.549 4.533 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CC2(CC[C@@H]1CCl)CC2 2154164401 SENFCOPUBLAJHG-LLVKDONJSA-N 468.560 4.677 50 10 JJGE CC1(C)C[C@@H](CCl)CN(C(=O)c2cc(Br)ccc2I)C1 2172584493 CWPIFJVZXGJJHX-JTQLQIEISA-N 470.576 4.781 50 10 JJGE O=C(Nc1ccc(Br)cc1I)[C@H](Br)C1CCCC1 2223525985 VNXFSTMQNHQGMT-GFCCVEGCSA-N 486.973 4.946 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)C(C#N)=C2C)cc1F 2314617552 CMGNAMYBZVQUSG-UHFFFAOYSA-N 470.504 4.689 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1OC 2314634515 CNYQRPARGLTFIP-HHHXNRCGSA-N 468.509 4.931 50 10 JJGE Clc1ccc(C[C@@H](CBr)Cc2ncc(I)cn2)cc1 2353309500 MHWMBCUPKXDKEU-LLVKDONJSA-N 451.533 4.531 50 10 JJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1 14029170 HURUEDARZPSVOB-UHFFFAOYSA-N 455.624 4.893 50 10 JJGE CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2C)ccc1OC(=O)c1ccccc1 33959172 CDUFAWKYUNKXAT-JFLMPSFJSA-N 466.921 4.795 50 10 JJGE O=C(Cc1ccccc1)NNc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1[N+](=O)[O-] 40659450 GRBQBIOPUVPKMQ-UHFFFAOYSA-N 456.462 4.607 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccccc2OCc2cccc(F)c2)cc1 58895460 UEZMVURJARUZJZ-WVVPCBRLSA-N 450.510 4.767 50 10 JJGE COc1cc(/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 101338803 GUDKCQZMOIFXDG-FYJGNVAPSA-N 460.505 4.948 50 10 JJGE CCCCCOc1ccc(CN2C(=O)/C(=N/NC(=O)COc3ccccc3)c3ccccc32)cc1 102769553 MOSDOBBDNCUPKU-KDJFERLWSA-N 471.557 4.702 50 10 JJGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)c1 205660024 LFALOOUCGUDLPV-FEMMLKEQSA-N 468.509 4.931 50 10 JJGE C[C@@H](NC(=O)/C(C#N)=C\Nc1ccc(I)cc1)C12CC3CC(CC(C3)C1)C2 217054015 UNIAYJCFMKDNGJ-IAYYKLOSSA-N 475.374 4.832 50 10 JJGE O=C(CBr)c1c(C(F)(F)F)ccc(I)c1Br 575695450 OELVHWQVXGUJGM-UHFFFAOYSA-N 471.836 4.650 50 10 JJGE C[C@H](Br)[C@@H]1CCCN(C(=O)c2scc(Br)c2Br)C1 689024901 CJSRWLYEVZFZCT-JGVFFNPUSA-N 460.029 4.909 50 10 JJGE C[C@@]1(CBr)CCCCN1S(=O)(=O)c1cc(Br)ccc1Br 723004122 AOIPHKXKEYZWQS-ZDUSSCGKSA-N 490.055 4.540 50 10 JJGE CCOc1cc(C=NNC(=O)c2sc3nc(C)cc(COC)c3c2-n2cccc2)ccc1OC 1081098357 PFUUECLPLLPEMK-UHFFFAOYSA-N 478.574 4.713 50 10 JJGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(F)cc1 1083974690 FDSZVYBUXDPONO-UHFFFAOYSA-N 483.927 4.854 50 10 JJGE CC(=NNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 1084428173 GZQAGBSPMNNDLR-UHFFFAOYSA-N 469.994 4.693 50 10 JJGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OC 1084641096 HBPGHYZOHSBXSB-UHFFFAOYSA-N 482.128 4.739 50 10 JJGE C=CC[C@@H](NC(=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccncc1 1633820878 ZVDKDTOAARVRLZ-AREMUKBSSA-N 458.678 4.782 50 10 JJGE COCCCN1[C@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)C[C@H]1C 1868565435 JJYKFAUXCFYPCN-WOJBJXKFSA-N 489.649 4.791 50 10 JJGE O=C(CBr)c1cc(I)c(Br)c(C(F)(F)F)c1 2054936173 CIDLCXHOXQARFQ-UHFFFAOYSA-N 471.836 4.650 50 10 JJGE FC(F)c1cc(I)cc(I)c1CBr 2060238502 KTYUWNPYAZYXOO-UHFFFAOYSA-N 472.836 4.728 50 10 JJGE CC[C@@H](Br)[C@@H]1CCCCN1c1ncc(I)cc1Br 2069528905 MTBACFNDMKIPNU-PWSUYJOCSA-N 488.005 4.981 50 10 JJGE O=C(N[C@H]1CCC[C@@H]1CCBr)c1cc(Br)ccc1Br 2090571748 KASYOBPMNNZRPO-RNCFNFMXSA-N 454.000 4.895 50 10 JJGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1[C@H]2CCOC[C@H]21 2093708468 AGJHQRRQOJEPJQ-QJPTWQEYSA-N 454.984 4.768 50 10 JJGE Cc1cc([N+](=O)[O-])c(NCCSSCCNC(=O)OC(C)(C)C)cc1Br 2125297698 CMUDFSOSNBVCAZ-UHFFFAOYSA-N 466.423 4.984 50 10 JJGE O=C(c1csc(Br)c1Br)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Br)C2 2134105081 NLQDXRQVOFMBCQ-WXKLWKFWSA-N 476.003 4.752 50 10 JJGE CCC[C@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@@H]1CCl 2207268731 VKPIOJOWTOMSSS-QWRGUYRKSA-N 470.576 4.781 50 10 JJGE CC[C@H]1[C@H](Br)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2277933842 ZJZXBGKWLPHBRG-OLZOCXBDSA-N 454.000 4.529 50 10 JJGE C[C@](CI)(OC[C@]12C[C@](C)(CO1)C2)c1ccccc1Br 2280971131 IIRQGWAPTWPBIF-OAGGEKHMSA-N 451.142 4.685 50 10 JJGE C[C@H](OC(=O)C(C#N)=Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 2297487106 GXFWIUAHRJHXCB-CABCVRRESA-N 460.361 4.775 50 10 JJGE C[C@@H](NC(=O)c1cc2ccc(OC(=O)C(C#N)=Cc3ccccc3)cc2oc1=O)c1ccccc1 2314751083 OENGBXKFCQVWDR-GOSISDBHSA-N 464.477 4.797 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(Br)cc1 2314753236 OHUAXYMIWBLQKV-UHFFFAOYSA-N 495.329 4.883 50 10 JJGE Clc1ccc(CN2CCSC[C@@H]2CCBr)cc1I 2315551573 SKKDIFKHUVBITD-NSHDSACASA-N 460.606 4.647 50 10 JJGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)COc3ccccc3OC)c(OC)c2)cc1OC 2320506521 LLIWUHRYDOXAFJ-UHFFFAOYSA-N 475.497 4.770 50 10 JJGE COCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1 2331124027 DWPORRJRIQCWON-SFHVURJKSA-N 481.618 4.569 50 10 JJGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2[C@@H]3CCO[C@@H]32)c1Br 2339674169 IKGKFMDZBOUXAA-ODDDBGHMSA-N 454.984 5.000 50 10 JJGE C[C@@H](Cl)C(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NC[C@H]2CCCO2)c1 750412 KJTVNZINUVKONE-AUSIDOKSSA-N 484.040 4.620 50 10 JJGE COc1cc(/C=N/NC(=O)[C@@H]2COc3cc4ccccc4cc3O2)ccc1OCc1ccccc1 1210000 DHSXMRQFCGZTTP-OJNYLEBGSA-N 468.509 4.718 50 10 JJGE Cc1ccc(-c2n[nH]c3c2[C@H](c2cccc(OC(=O)c4cccs4)c2)C(C#N)=C(N)O3)cc1 9490016 QSGZMABYPWSTHA-HXUWFJFHSA-N 454.511 4.884 50 10 JJGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)[C@H](C)Oc1c(C)cc(Br)cc1C 14642984 UCYNJTLUGFQSRB-PBHICJAKSA-N 477.399 4.573 50 10 JJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2C)c(Br)c1 14832258 YZKKZOYNRQWJGW-CYBMUJFWSA-N 483.790 4.530 50 10 JJGE C/C(=N\NC(=O)CCC(=O)Nc1ccc(I)cc1)c1ccc2ccccc2c1 27498151 PLBBWNJCJMADJI-MFKUBSTISA-N 485.325 4.704 50 10 JJGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c1 39858628 KVIJRPGYCIVJDY-JXAWBTAJSA-N 454.461 4.788 50 10 JJGE COc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(Cc2ccccc2)C(=O)CCl)cc1OC 97914831 GCYSRVPFDPLDRH-JBWFSBJDSA-N 473.013 4.707 50 10 JJGE BrCC(CBr)(CCN1CCSCC1)c1cccc(Br)c1 706370529 GMZWKEXQPSFMCS-UHFFFAOYSA-N 486.111 4.916 50 10 JJGE ClCc1nc2cc(I)ccc2n1C[C@H]1CCN1Cc1ccccc1 716224711 BBDOBRNEHJMJPN-MRXNPFEDSA-N 451.739 4.654 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@H](Cl)CC[C@H]2C1 721615101 RELVFIUBWYRQEF-QJPTWQEYSA-N 468.560 4.533 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865708193 QIQQYQZSGRMBSI-XMMPIXPASA-N 480.524 4.783 50 10 JJGE CC(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)cc2C1=O 1872747378 ZRLHBPLSGKMUTM-ZZEZOPTASA-N 460.471 4.673 50 10 JJGE CCOc1cc(/C=N/NC(=O)COc2ccccc2OC)ccc1OCc1ccccc1Cl 1873497438 TWWSGSIAJWRRJG-JFLMPSFJSA-N 468.937 4.855 50 10 JJGE Cc1c(Br)csc1C(=O)N[C@H](CCBr)COCc1ccccc1 1902793113 RRXQAZAZHWWWTI-CQSZACIVSA-N 461.219 4.919 50 10 JJGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)COc1ccc(Cl)cc1Cl 1916384189 XQWPCXSBYBLVDY-OAHLLOKOSA-N 461.183 4.811 50 10 JJGE CC[C@H](Br)CN(CC)C(=O)c1ccc(I)c(Br)c1 2044548478 OGHCNORFZDNOSA-JTQLQIEISA-N 488.989 4.689 50 10 JJGE O=C(CBr)c1ccc(Br)c(C(F)F)c1I 2054782329 XQOCBHXBXXLTPQ-UHFFFAOYSA-N 453.846 4.569 50 10 JJGE C[C@H]1C[C@H](CBr)CCN1C(=O)c1ccc(I)c(Cl)c1 2115844925 VWLAPBUKJMVBNY-VHSXEESVSA-N 456.549 4.580 50 10 JJGE C[C@@H](Br)CCCc1cn(-c2cc(Br)ccc2I)nn1 2132761890 IKSREROEBFHXRO-SECBINFHSA-N 498.988 4.741 50 10 JJGE CCN(C[C@](C)(CI)OC[C@H]1C[C@H]1C1CCOCC1)C(=O)OC(C)(C)C 2135988756 FCMUNUSGXZAZPR-UWVAXJGDSA-N 481.415 4.516 50 10 JJGE C=CC[C@](C)(CCl)CNC(=O)c1cc(Br)ccc1I 2137199149 LCIOTAAAWDOBFT-CQSZACIVSA-N 456.549 4.605 50 10 JJGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Cl 2179786133 VZKNBEGKSHIHEB-UHFFFAOYSA-N 473.864 4.768 50 10 JJGE CC1(C)OCCC[C@H]1[C@H](Br)c1cc(I)cc2c1OCC2 2187009761 JRYAVFAELNQYIG-UONOGXRCSA-N 451.142 4.867 50 10 JJGE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCCSSCCNC(=O)OC(C)(C)C 2247948853 CTQBQEXGQFLVGA-MSOLQXFVSA-N 477.737 4.764 50 10 JJGE C[C@@H](Br)CN(C(C)(C)C)S(=O)(=O)c1cc(Br)ccc1Br 2288120130 BVTATUGICWUCHB-SECBINFHSA-N 492.071 4.784 50 10 JJGE Cc1ccc(N2C(=O)[C@H](Cc3cccc([N+](=O)[O-])c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2293038931 JKPHDDATYPIXDW-QHCPKHFHSA-N 484.537 4.968 50 10 JJGE C[C@@]1(CBr)CCCCN1C(=O)Cc1cc(Br)cc(Br)c1 2295317940 UAAFTXDSMCDXTC-HNNXBMFYSA-N 468.027 4.920 50 10 JJGE C[C@@H]1[C@H](CBr)CCN1Cc1ccc(I)c(Br)c1 2306220423 XKOOESWABFDBEH-KOLCDFICSA-N 472.990 4.659 50 10 JJGE CC1(C)CN(Cc2ccc(I)c(Br)c2)[C@H]1CBr 2306221097 CZEJTEOVASPHBO-LBPRGKRZSA-N 472.990 4.659 50 10 JJGE COCc1cc(Br)c([C@@H](Br)c2c(Br)ncn2C)s1 2315636776 ZPPFQOWDXVFUEW-QMMMGPOBSA-N 459.001 4.637 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCc1ccc(F)cc1C1CC1 2317103157 HVBFTWDKFJAVSW-IBGZPJMESA-N 463.331 4.938 50 10 JJGE FC1(F)CCN(Cc2ccc(I)c(Br)c2)CC[C@@H]1Cl 2349849590 BMJWIBJQGHSPON-LBPRGKRZSA-N 464.519 4.892 50 10 JJGE Cn1cc(I)c(CC(CCl)(CCl)c2cccc(Br)c2)n1 2367622324 KWDXCBOLTQKVPM-UHFFFAOYSA-N 487.994 4.745 50 10 JJGE CCn1nc(Br)c(COc2c(Br)cc(CCl)cc2Br)n1 2379958364 QLSINCKZKOXWME-UHFFFAOYSA-N 488.405 4.903 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OC)c(OC)c2)cc1Br 14640784 OAJISNRPPKSAKG-UHFFFAOYSA-N 479.371 4.500 50 10 JJGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)cc1 40825783 QLPZVVKLSFSHRG-MWAVMZGNSA-N 497.507 4.612 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1Cl 40929773 URAHTJAXAZBMRF-LDADJPATSA-N 480.904 4.539 50 10 JJGE O=C(N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1ccc([N+](=O)[O-])cc1 59146507 PVKVSVRUMPUOBR-XLVZBRSZSA-N 476.492 4.865 50 10 JJGE COc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccc(F)cc1 254739924 DHTUYTNITDNMSD-UHFFFAOYSA-N 484.527 4.800 50 10 JJGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2)cc1 616604211 WERACCSWSVDIIZ-QHCPKHFHSA-N 460.716 4.586 50 10 JJGE Cl[C@H](c1cc(I)cc2c1OCC2)c1ncsc1Br 698647201 FILXNUGICCDLCW-SECBINFHSA-N 456.530 4.773 50 10 JJGE CC[C@H](C[C@@H](C)Br)NS(=O)(=O)c1cc(Br)c(C)cc1Br 716933553 HGJTXEZPNGQLME-NXEZZACHSA-N 492.071 4.750 50 10 JJGE COc1cc(OC)c(C=NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 1084510212 ZQKXUBWMHXNQOE-JTQLQIEISA-N 476.154 4.691 50 10 JJGE C=CCOc1cc(OC)ccc1C(=O)NNc1c(Br)cccc1Br 1633992681 UIHGUEFGAYXDPS-UHFFFAOYSA-N 456.134 4.542 50 10 JJGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1C)CCC2 1772744065 RBLSCEGDCLCDDF-UHFFFAOYSA-N 473.529 4.796 50 10 JJGE Cc1ccccc1CN(c1ccc(C(=O)Nc2ccc(SC#N)cc2)cc1)S(C)(=O)=O 1860768901 JHMRWLDJMVNBRJ-UHFFFAOYSA-N 451.573 4.787 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)cc1O 1865681767 WGHUJZBLADKGIW-OAQYLSRUSA-N 456.889 4.822 50 10 JJGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1OC 1865697357 QKBBYCUEMCVYRU-LJQANCHMSA-N 485.466 4.692 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)c(OC)c1 1865708247 RJOVFDQMKRVMAX-XMMPIXPASA-N 464.525 4.834 50 10 JJGE N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Br 1866131699 JKCUZJWITWCNRA-IZZDOVSWSA-N 451.074 4.665 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](NC(=O)Cc2cc(-c3ccccc3)on2)c2ccccc2)cc1 1866914582 YERAOWSHHRQCTI-RUZDIDTESA-N 468.538 4.953 50 10 JJGE COc1cccc([C@H](C)CC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)c1 1867107582 PJSHMTLIRKSOAX-IQGLISFBSA-N 489.597 4.834 50 10 JJGE COc1cc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)cc(OC)c1OCc1ccccc1 1873795473 LHLPYYDVSSDZLE-RDRPBHBLSA-N 499.608 4.818 50 10 JJGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@H]1C[C@@H]1Br 1893149061 ZCECJQJKFICQIQ-UZFJHSOTSA-N 485.422 4.792 50 10 JJGE CC(C)[C@@H]1C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)CN1C(=O)OCc1ccccc1 1903379342 LOHBLAODADNOIK-RTWAWAEBSA-N 497.727 4.918 50 10 JJGE CCN(C[C@@](C)(CI)OC[C@](C)(F)C(F)(F)F)C(=O)OC(C)(C)C 2017070588 RYXSVIAPBRAXAZ-KGLIPLIRSA-N 471.273 4.744 50 10 JJGE O=C(NC[C@@H](CBr)C(F)(F)F)c1cc(Br)c(Br)s1 2043326082 YKMBFHIJTKINHA-SCSAIBSYSA-N 473.934 4.576 50 10 JJGE CN(C1CC(OCc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)c(CBr)c1 2123210078 MABMZTWXQNGEBT-UHFFFAOYSA-N 458.805 4.603 50 10 JJGE C[C@@H]1Cc2cc([C@H](Br)c3nn(C)cc3Br)cc(Br)c2O1 2146617501 ZFBLPBMUQBPNSL-KRTXAFLBSA-N 464.983 4.753 50 10 JJGE CC1(C)CCC[C@]1(CBr)NC(=O)c1ccc(F)cc1I 2150544766 GCJHNTSSSDAHKP-OAHLLOKOSA-N 454.121 4.504 50 10 JJGE CC(C)n1cnnc1COc1c(Br)cc(CBr)cc1Br 2153681716 JQGRDVDGCWVDJH-UHFFFAOYSA-N 467.987 4.858 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1[C@H](CBr)C[C@@H]2CCC[C@H]21 2164656994 SIHUUGUANRHXKT-QCZZGDTMSA-N 466.011 4.990 50 10 JJGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCn3ncnc3C2)cc1Br 2165256792 BZXMPFJKDOYHGH-YMTOWFKASA-N 463.999 4.810 50 10 JJGE CN(Cc1ccccc1)[C@@H]1CCCCN(S(=O)(=O)c2cc(CCl)sc2Br)C1 2169153138 MKGIHANSZVPZMP-MRXNPFEDSA-N 491.904 4.925 50 10 JJGE Cc1sc(CBr)cc1S(=O)(=O)N(C)[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2179822878 BNNOTUZRSFDWNQ-PKOBYXMFSA-N 472.470 4.956 50 10 JJGE CCn1cc(Br)c(CN(C)c2cccc(Br)c2CBr)n1 2181211870 QSUKCTLWQTYBEL-UHFFFAOYSA-N 466.015 4.959 50 10 JJGE Cc1cc(C(=O)N2CCC[C@H]2C(C)(C)CBr)ccc1I 2207107113 OKKFFCWVNRRRGS-AWEZNQCLSA-N 450.158 4.625 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CI)O[C@H]1CCCC[C@H]1C(F)(F)F 2217091932 SOERIMYHQKARKY-XUJVJEKNSA-N 465.294 4.843 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(F)(F)F)CCN1CCCCCI 2220216386 SBVSMZNIVUAFMJ-KBPBESRZSA-N 478.337 4.759 50 10 JJGE CCC(CBr)(CBr)NC(=O)Cc1ccc(Br)cc1Cl 2229155050 WSLZSXVFCGRXJY-UHFFFAOYSA-N 476.434 4.700 50 10 JJGE Cc1ccc(I)c(C(=O)N2CC[C@H](Br)CC(C)(C)C2)c1 2240915516 RUMSOELZGLVKDM-LBPRGKRZSA-N 450.158 4.625 50 10 JJGE COc1ccc([C@@H](Br)c2c(F)cccc2I)cc1OC 2282785544 VNEMNVHIMQDCRB-OAHLLOKOSA-N 451.073 4.932 50 10 JJGE O=C(NC[C@H]1CC[C@H](CBr)CC1)c1ccc(Cl)c(I)c1 2283652435 VDTWUELJUJEOJA-XYPYZODXSA-N 470.576 4.876 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1[C@H]2CC[C@H](C2)[C@H]1CBr 2310099148 KMBHPGNSZZQFJW-BKPPORCPSA-N 458.013 4.661 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1 2314611325 TXPDQISGKDNQRK-UHFFFAOYSA-N 452.514 4.549 50 10 JJGE FC(F)(F)[C@H]1[C@H](Br)CCCN1Cc1sccc1I 2320972472 IMGQTSQHNGWWEY-GMSGAONNSA-N 454.093 4.643 50 10 JJGE COc1cccc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1OCc1cccc(C)c1 2328833132 GJBIJPJGMQWTPC-QFIPXVFZSA-N 469.582 4.582 50 10 JJGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3c(Br)ncn3C)c2O1 2362433638 YTTIATPQEHSJMX-RDDDGLTNSA-N 464.983 4.753 50 10 JJGE COc1ncc(Br)c(C)c1CO[C@@H]1CCCCC[C@H]1I 2368200521 WOUICHUUXXMQFG-ZIAGYGMSSA-N 454.146 4.814 50 10 JJGE CC(C)(C)[C@](C)(CBr)CN1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 2380163128 CSAKXAUDGZTZPX-COPLHBTASA-N 455.281 4.508 50 10 JJGE Cc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1C 10153110 VVXHEQSQLXQXOF-GOSISDBHSA-N 497.389 4.727 50 10 JJGE Cc1ccc(N2C(=O)[C@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(\C#N)C(=O)NCc2ccccc2)cc1 16739750 SMUCCMMTSQSZNN-BSSRNLCFSA-N 498.564 4.646 50 10 JJGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OC)cc1OC 38657190 WDNWBAKLURJONC-RUZDIDTESA-N 472.497 4.540 50 10 JJGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)ccc2OC)c1 38659912 FSYCRGBOBCKQQL-AREMUKBSSA-N 486.524 4.930 50 10 JJGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1/C(=N/NC(=O)c1cccnc1)CCC2 40814121 WVUGJNPFCZNXFD-STBIYBPSSA-N 456.424 4.725 50 10 JJGE COc1cc(C(=O)N/N=C/c2cccn2-c2ccc(Cl)cc2)ccc1I 59249378 BBTPDGVDVJUEBV-WSDLNYQXSA-N 479.705 4.508 50 10 JJGE CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)OCC)cc2OCC)cc1 206311325 PCUQECLXTKXTEJ-JFJYUCGMSA-N 474.513 4.857 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(C)cc1 206489065 SIXHNTKTPJIRSH-QNGOZBTKSA-N 474.513 4.585 50 10 JJGE CCOc1ccccc1/C=C\C(=O)Oc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1OC 207000743 OQVTXHBAAZARJQ-BGVZQIFQSA-N 472.497 4.529 50 10 JJGE Oc1cc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)ccc1Br 382677547 YWNSZBZMOFXIEI-CVEARBPZSA-N 472.164 4.805 50 10 JJGE O=C(CBr)c1cc(Br)c(OC(F)(F)F)cc1I 575690833 CYVKWIBZDXMMSB-UHFFFAOYSA-N 487.835 4.530 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccnn2C2CCCC2)c(C)n1-c1ccccc1F 755529458 CTHDGGQOBYEOBY-XSFVSMFZSA-N 475.524 4.634 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c(C)n1CC(C)C 855280236 FQGYDHDBIWYYQJ-KCBNLNMNSA-N 464.591 4.660 50 10 JJGE O=C(CCCSc1nc2ccccc2s1)NN=Cc1cc(Br)ccc1O 1084318605 ZEKNUEIQIZVONT-UHFFFAOYSA-N 450.383 4.787 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3C#N)c(OC)c2)cc1 1084345261 ZUGIYBXLRJGOIB-VWLOTQADSA-N 487.556 4.508 50 10 JJGE C=CCC[C@@H](NC(=O)NNC(=O)CSc1ccccc1O)c1ccc(C(F)(F)F)cc1 1312340815 COZOIJDTNUWYPR-MRXNPFEDSA-N 453.486 4.541 50 10 JJGE Cc1c(C(=O)Nc2nccs2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743749 HEVBWMFAJKPIFC-UHFFFAOYSA-N 473.352 4.530 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1865713195 UBLNBYGIHJAXRI-QFIPXVFZSA-N 467.460 4.864 50 10 JJGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714575 MVBFWRMYBILSTC-IBGZPJMESA-N 453.315 4.614 50 10 JJGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)CC1=O 1872751331 BZZKDMQXDKWEAQ-DJFNHCPNSA-N 481.480 4.721 50 10 JJGE C[C@H]1CC[C@@](CBr)(NC(=O)c2cccc(Br)c2Br)C1 1880900670 RGUJIZNWRSYRGS-LKFCYVNXSA-N 454.000 4.895 50 10 JJGE CC(C)CN(CCBr)C(=O)c1ccc(I)c(Br)c1 2036721566 CAYUGYDXYHLESP-UHFFFAOYSA-N 488.989 4.547 50 10 JJGE CC[C@@H](Br)CN(CC)C(=O)c1ccc(I)c(Br)c1 2044548479 OGHCNORFZDNOSA-SNVBAGLBSA-N 488.989 4.689 50 10 JJGE F[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1cc(Cl)ccc1I 2134110195 FSNLAQZFOWFZSQ-ZMJPVWNMSA-N 458.540 4.783 50 10 JJGE C[C@@H]1C[C@@H](Cl)CCN(C(=O)c2ccc(Br)cc2I)C1 2142284956 JRTRZXCFRAAGML-KOLCDFICSA-N 456.549 4.533 50 10 JJGE O=C(c1cccc(Br)c1Br)N1[C@H](CBr)C[C@H]2CCC[C@H]21 2164661226 AWDZRLZUFBZZCK-GBIKHYSHSA-N 466.011 4.990 50 10 JJGE CC(C)(C)OC(=O)NCC[S@@](=O)(=NC[C@H](CBr)CC1CC1)c1ccccc1 2169173800 VPZFIDUWONUSHT-SOKVYYICSA-N 459.450 4.849 50 10 JJGE CN([C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)C1CCC(CBr)CC1 2179826387 RJOHXPOMUCYISP-PEVDHWGLSA-N 458.462 4.586 50 10 JJGE COC[C@@H]1CC[C@@H]([C@@H](Br)c2cc(I)cc3c2OCC3)C1 2181797858 RAQGVBVWWLQJFT-UEKVPHQBSA-N 451.142 4.725 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](O[C@H]2CCC[C@H](C(F)(F)F)C2)C1 2217092509 ZXQDVCDPFGHMKL-ZDEQEGDKSA-N 463.278 4.547 50 10 JJGE CC(C)(C)CCN(CCBr)S(=O)(=O)c1cc(Cl)c(Br)s1 2289886604 XYVIYGXCUCGDGR-UHFFFAOYSA-N 467.676 4.986 50 10 JJGE Cc1c(F)ccc(CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)c1Cl 2301346660 SZQSQFVHMIETRG-KBPBESRZSA-N 469.722 4.727 50 10 JJGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)N2CCCCC2)c1 2314436783 CZAMNXZTOARCCN-UHFFFAOYSA-N 456.546 4.838 50 10 JJGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2)cc1 2314634264 RKDZBBBUUIHABL-SANMLTNESA-N 454.482 4.541 50 10 JJGE CCn1nc(C)c(CCl)c1OCc1ccc(I)c(Br)c1 2377643176 ZJOSYCAYTPFJHH-UHFFFAOYSA-N 469.548 4.896 50 10 JJGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1cc(C)ccc1C(C)C 14033058 ZTSNHZZEJQUWPB-UHFFFAOYSA-N 485.650 4.792 50 10 JJGE Cn1nc(-c2ccc(/C=C(/C#N)S(=O)(=O)c3ccc(C(F)(F)F)cn3)s2)cc1C(F)(F)F 33384608 DBDXECQFAWOZJC-SDQBBNPISA-N 492.426 4.920 50 10 JJGE CCC[C@H](C)c1nc(N2CCCN(C(=O)CCCl)CC2)c2c(C)nn(-c3ccc(F)cc3)c2n1 37379235 QNODHRGTCWLHQE-KRWDZBQOSA-N 487.023 4.834 50 10 JJGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Oc1cccc2cccnc12 40752183 HFDYFRNGQAWONT-UHFFFAOYSA-N 462.513 4.675 50 10 JJGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 40815864 LVXVGPSNJCMNGC-ZTKZIYFRSA-N 453.498 4.755 50 10 JJGE C=C(C)[C@H]1CC=C(C)/C(=N\NC(=O)COc2ccc(Br)cc2Br)C1 104579739 ATIPHOKEMMFTKM-JPDJOPTESA-N 456.178 4.995 50 10 JJGE O=C(NC[C@@H]1CCCC[C@@H]1CBr)c1ccc(I)c(Cl)c1 232349477 BWVQICPAKPHBPF-NEPJUHHUSA-N 470.576 4.876 50 10 JJGE Cc1cccc(N(CC(=O)NN=Cc2c3ccccc3cc3ccccc23)S(C)(=O)=O)c1C 254404923 ZZIGNTVTLRXHHT-UHFFFAOYSA-N 459.571 4.526 50 10 JJGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(C)cc2)cc1 254733433 YWRJMFLUKMMHBP-UHFFFAOYSA-N 465.594 4.921 50 10 JJGE C=CCc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)c1O 254812643 QGHQGSGHHHWWOI-UHFFFAOYSA-N 483.597 4.919 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3C)n2-c2ccc(C)cc2)cc1 254816528 HZKRSBPNVSSXBJ-UHFFFAOYSA-N 471.586 4.802 50 10 JJGE O=C(N[C@H]1CCC[C@@H](CBr)C1)c1cc(Br)ccc1Br 306103026 QQPOYFMBYJGXOC-KOLCDFICSA-N 454.000 4.895 50 10 JJGE CC(C)(CBr)CCNC(=O)c1cc(Br)ccc1I 395205425 YHZGIOXTMBQQEC-UHFFFAOYSA-N 488.989 4.595 50 10 JJGE FC(F)(F)Oc1c(Br)cc(I)cc1CBr 575694559 IABLVTWOVQMEHD-UHFFFAOYSA-N 459.825 4.847 50 10 JJGE COc1c(Br)cc(Br)c(OC)c1C(=O)C(Br)Br 584622617 LVKNPZMDSAUOES-UHFFFAOYSA-N 495.787 4.527 50 10 JJGE CCO[C@@H]1CCC[C@H](O[C@](C)(CI)CN(CC)C(=O)OC(C)(C)C)C1 721650858 CMGKJKAJTIVHPB-JTDSTZFVSA-N 469.404 4.801 50 10 JJGE COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2nnc(-c3ccccc3Br)o2)c1C 768745566 BLSXOSWVNIHQID-YQYFLZKSSA-N 499.365 4.775 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)NCc2ccc(F)c(F)c2)c(-c2ccc(Cl)cc2)n1 914477031 CDYMIZWCEJIBRQ-BOPFTXTBSA-N 451.864 4.619 50 10 JJGE Cc1ccc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)c1C 1084062833 LSOFSXGDLDCMCH-UHFFFAOYSA-N 469.994 4.611 50 10 JJGE CCN(CC)c1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CBr)c(O)c1 1614706580 WGCPMKYLIIJLRW-WIYYLYMNSA-N 461.400 4.986 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1OC(C)C 1865695356 BVAQTQYNCORKEB-QFIPXVFZSA-N 450.926 4.848 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1 1865712790 HZVGSDIBEYZXBW-KRWDZBQOSA-N 460.843 4.830 50 10 JJGE Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NNC(=O)[C@@H](Cc1ccccc1)c1ccccc1 1865758100 JCIFTSZXWRZSIG-VWLOTQADSA-N 453.517 4.984 50 10 JJGE CSCC[C@H](NC(=O)[C@H](Cc1ccncc1)c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866706198 IQKTWGIZHMANSK-RPWUZVMVSA-N 490.654 4.858 50 10 JJGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2c2nc3c([nH]2)CCCC3)n1 1868253456 ICHJSMOFKRWHKA-OAQYLSRUSA-N 475.622 4.926 50 10 JJGE Cn1cc([C@H](Cl)c2sc(Cl)cc2I)nc1Br 1900920675 WODBEUALJYVKRH-ZETCQYMHSA-N 451.942 4.830 50 10 JJGE BrCC(CBr)(CC[C@H]1COCCO1)c1ccccc1Br 1916658957 NIXGUYPLSCOGBN-LBPRGKRZSA-N 471.027 4.672 50 10 JJGE O=C(N[C@@H](CCBr)C(F)(F)F)c1cc(Br)cc(Br)c1 1918554216 RZVGGPMTLZCOQM-VIFPVBQESA-N 467.905 4.657 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CCS[C@@H](CCBr)C1 2092327408 AIMFHUUUPSMVED-VIFPVBQESA-N 472.040 4.554 50 10 JJGE COC[C@@H](C)OC[C@@H](Br)CCc1cc(Cl)ccc1I 2099447870 SNTPKZUUTOLNOA-PWSUYJOCSA-N 461.565 4.692 50 10 JJGE Cc1cc(Br)c([C@@H](Br)C2(S(C)(=O)=O)CCC2)cc1Br 2110396687 IPWFZXQLURUOMZ-GFCCVEGCSA-N 475.040 4.923 50 10 JJGE C[C@@H](CCCCCCl)NC(=O)c1ccc(I)c(Br)c1 2117885517 KKINDXZRILIYIH-JTQLQIEISA-N 458.565 4.971 50 10 JJGE O=C(c1scc(Br)c1Br)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Br)C2 2134112359 LYEXFLJMZMRYIC-KRYIENNFSA-N 476.003 4.752 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@@H]2CCC[C@@]2(CBr)C1 2159403695 DDUAMYXAVJTDFD-ZUZCIYMTSA-N 466.011 4.849 50 10 JJGE C[C@@H](Br)CCCc1cn(Cc2cc(Cl)ccc2I)nn1 2189280729 WKDRJPLRWNSZDB-SNVBAGLBSA-N 468.564 4.691 50 10 JJGE Cc1cc(C(=O)N2CC[C@@H](Br)[C@H]2C(C)(C)C)ccc1I 2207095674 GUHIGJFBWGHBFA-OCCSQVGLSA-N 450.158 4.624 50 10 JJGE Brc1ccc(CC23COC(CI)(C2)C3)c(Br)c1 2216248901 BHVMUVWHYLVKAS-UHFFFAOYSA-N 471.958 4.738 50 10 JJGE CC(C)(C)OC(=O)N[C@H](CBr)C1CCC(NC(=O)OCc2ccccc2)CC1 2241899981 MGCQATGXSSOKDY-DAWZGUTISA-N 455.393 4.760 50 10 JJGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)c(O)cc1O 2248029089 UNICDKROTZXRNV-CYBMUJFWSA-N 457.162 4.676 50 10 JJGE CC1(C)OCCN(Cc2cccc(Br)c2Br)[C@@H]1CBr 2267685748 HDDSZPOYRGDDAV-GFCCVEGCSA-N 456.016 4.586 50 10 JJGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)NCCc2ccccc2)cc1 2293039151 JCLWGOJGSISLEN-RUZDIDTESA-N 485.584 4.919 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@H]2CCCO2)c(C)c1 2296706008 LCHYOFWSVYNXNZ-RUZDIDTESA-N 470.573 4.839 50 10 JJGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1 2313624107 MOCRQHLOKIBTKB-UHFFFAOYSA-N 470.573 4.875 50 10 JJGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C(=Cc2ccccc2)c2ccccc2)cc1 2314777662 OYNDVZJEIXRWLD-UHFFFAOYSA-N 452.510 4.502 50 10 JJGE CCS(=O)(=O)C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315443557 JVHUUENHLXZUBX-ZCFIWIBFSA-N 487.410 4.875 50 10 JJGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1ccc(Cl)c(Cl)c1 2320406702 QXRYYJLHBUJYMR-CQSZACIVSA-N 467.212 4.642 50 10 JJGE CC(C)[C@H]1C[C@H](Br)CN1C(=O)c1cc(Br)cc(Br)c1 2344772053 VNFGYZHQLUUTEF-QWHCGFSZSA-N 454.000 4.846 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CCC2CC1(CBr)C2 2361592629 HGVSKZUHIRNKDB-UHFFFAOYSA-N 466.011 4.530 50 10 JJGE CC(C)[C@H](Br)C(C)(C)CN(C)C(=O)c1ccccc1I 2365991902 STUFMCPYMOXACN-AWEZNQCLSA-N 452.174 4.809 50 10 JJGE COc1ccc([C@H](Br)C2CC(OC)(C(F)F)C2)cc1I 2368973629 YMTGHSSUTUFKKD-PEUVISTOSA-N 461.084 4.796 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccccc2Cl)cc1 14025640 SRCSOGGUOTXTLM-NTCAYCPXSA-N 459.999 4.648 50 10 JJGE COc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2cccc(C)c2)cc1 33347745 FDCFINCQLIWUAS-QFEZKATASA-N 467.319 4.749 50 10 JJGE CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1 33779569 JITLXYAZKPYJAQ-FABDANFUSA-N 466.777 4.819 50 10 JJGE O=C(N/N=C/c1sc(=O)n(Cc2ccc(Br)cc2)c1Cl)c1cccc(Cl)c1 33959598 ULYQOVSNRPZBRX-LSFURLLWSA-N 485.190 4.791 50 10 JJGE CCCCOc1ccc(/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1OCC 214308520 JXBYAHSDRCRNFY-QNGOZBTKSA-N 454.567 4.672 50 10 JJGE COc1ccc(Br)cc1C(=O)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1 252617174 KNSHBIYHEADHHC-UHFFFAOYSA-N 495.289 4.794 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2ccc(C)cc2)cc1 254760295 YDUFLXSGTRJKPV-UHFFFAOYSA-N 481.556 4.725 50 10 JJGE Cn1cc(C(=O)NN=Cc2ccc(COc3ccccc3Br)o2)c2ccccc21 263630699 SEMKRBACWHRUEH-UHFFFAOYSA-N 452.308 4.877 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](c2c(F)cccc2Br)[C@@H](CI)C1 382693277 QWDMFZPQLNCLRW-QWRGUYRKSA-N 484.147 4.974 50 10 JJGE O=C(N[C@H]1CCC[C@H](CCl)C1)c1ccc(I)c(Br)c1 721620307 OAAKRBZSBMLQNK-ONGXEEELSA-N 456.549 4.581 50 10 JJGE COc1cccc(C(=O)NN=Cc2ccc(SCC(=O)Nc3ccc4ccccc4c3)o2)c1 1084633234 RCGADKYNUXPZJQ-UHFFFAOYSA-N 459.527 4.936 50 10 JJGE C/C(=C\c1ccccc1Cl)C(=O)NNC(=O)COc1ccc(OCc2ccccc2)cc1 1124155609 YHQYGHGGMFEZHS-OBGWFSINSA-N 450.922 4.549 50 10 JJGE C=CCNC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OC)cc2)c1C 1353678248 MZLGBJYWUBPKIE-LTGZKZEYSA-N 454.530 4.564 50 10 JJGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696451 NHKPPNNQWSVOAB-OAQYLSRUSA-N 479.378 4.879 50 10 JJGE Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 1865759862 WAEDOBUJIAGRIE-ZDUSSCGKSA-N 462.308 4.731 50 10 JJGE COc1ccc([C@@H](C(=O)N[C@@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866986761 PXXKGEWADGIJPX-VXKWHMMOSA-N 471.648 4.885 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1F 1872752900 YJZDLXMJNPUBFW-JZJYNLBNSA-N 463.490 4.827 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CC12CCC([C@@H](CBr)NC(=O)OC(C)(C)C)CC2 1885093728 PLOUUPIWMMGXAJ-KXSVDRQTSA-N 461.441 4.996 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CC[C@H](CCNC(=O)OC(C)(C)C)C1 1985351298 CQADEKGJZZILLW-IAGOWNOFSA-N 463.710 4.566 50 10 JJGE C[C@@H]1C[C@H](CBr)CCN1C(=O)c1scc(Br)c1Br 2052369099 XEQAIHIRRAHMMV-HTQZYQBOSA-N 460.029 4.909 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@H](Br)CC12CCC2 2099390903 BSMKGGGHFIBTNZ-SNVBAGLBSA-N 451.984 4.744 50 10 JJGE CC1(C)CC[C@@H](Br)CN1C(=O)c1c(Br)cccc1Br 2099875001 SVMSYGNQGPHENH-SECBINFHSA-N 454.000 4.990 50 10 JJGE CC1(C)CC[C@@H](Cl)CN1C(=O)c1cc(I)ccc1Br 2099882825 REVWLHVAIGTJPG-SECBINFHSA-N 456.549 4.676 50 10 JJGE C[C@H]1CC[C@H](CCl)N(C(=O)c2ccc(I)c(Br)c2)C1 2110600546 VAOJMGSRWJNYEY-GXSJLCMTSA-N 456.549 4.533 50 10 JJGE CC(C)C[C@H](CCl)CNC(=O)c1cc(Br)ccc1I 2120747134 GLCQRBSVQLAKAE-SNVBAGLBSA-N 458.565 4.685 50 10 JJGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cn1 2123233742 IBQQZMPUQMNDIJ-OAHLLOKOSA-N 451.411 4.990 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@H](Br)CC2(CCC2)C1 2151344187 DNLCIUZXYIYWKY-SNVBAGLBSA-N 466.011 4.991 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2I)CC[C@@H]1CCCl 2172479537 ZPDFJAGPCHICQK-MNOVXSKESA-N 470.576 4.781 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1cc(Br)ccc1Br 2204563848 OREUQGRGNRGTNF-IQDGUBICSA-N 466.011 4.894 50 10 JJGE CC[C@H](C)[C@@H](Br)CNC(=O)Cc1cc(Br)cc(Br)c1 2277931822 IKLMHFIEWKDMAW-ZANVPECISA-N 456.016 4.680 50 10 JJGE COCCNC(=O)C(C#N)=Cc1cc(C)n(-c2ccc(Br)c3ccccc23)c1C 2295181974 NQUKOWUICVKVNA-UHFFFAOYSA-N 452.352 4.679 50 10 JJGE CC(F)(F)C[C@H](CBr)NC(=O)Cc1cc(Br)cc(Br)c1 2295309315 HXEUNBPHGKKOCN-LLVKDONJSA-N 477.969 4.679 50 10 JJGE Cc1cc(C(=O)N[C@@H](CCCl)COCc2ccccc2)ccc1I 2303700431 IZVQDBUNMKWOEE-KRWDZBQOSA-N 457.739 4.544 50 10 JJGE C[C@H]1CC[C@@H](Br)CN1Cc1ccc(I)c(Br)c1 2306218472 AICYRNRBHFIAIB-GXSJLCMTSA-N 472.990 4.802 50 10 JJGE CC(C)CN(CCBr)Cc1ccc(I)c(Br)c1 2306223930 LAUUUBUDWWRZCA-UHFFFAOYSA-N 475.006 4.907 50 10 JJGE CCOC(=O)COc1ccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 2313571544 YQSWUAIRGMLKEF-UHFFFAOYSA-N 463.317 4.880 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCc2cc(F)ccc2C(F)F)C1 2316339411 XJLRPBPBGNKOLG-KBPBESRZSA-N 471.257 4.703 50 10 JJGE FC(F)(F)[C@@H]1C[C@@H](Br)CCN1Cc1sccc1I 2316764822 QLZFGVDRDQMGIJ-XVKPBYJWSA-N 454.093 4.643 50 10 JJGE COc1cc(F)c(CO[C@](C)(CI)CNC(=O)OC(C)(C)C)c(Cl)c1 2317107291 LYJUHCHFVPVCTC-QGZVFWFLSA-N 487.737 4.723 50 10 JJGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(OC)c(F)c4)cs3)cc2C1=O 2331337037 SOZHGAPWVZCDCI-UHFFFAOYSA-N 493.516 4.540 50 10 JJGE Fc1cc(CCl)cnc1OCc1cc(I)ccc1Br 2341553887 ZMESJORZKOLDFK-UHFFFAOYSA-N 456.480 4.906 50 10 JJGE CC(C)(CI)CN1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 2351617314 DBWRCMRKHJISKF-MSOLQXFVSA-N 472.411 4.688 50 10 JJGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360424461 SRLJLACJKUGDJP-AYFZAPKBSA-N 466.981 4.622 50 10 JJGE O=C(N[C@@H]1C[C@H](CBr)C12CCC2)c1cc(Br)ccc1Br 2379721523 SJVPIKAUQUHGJF-NOZJJQNGSA-N 466.011 4.895 50 10 JJGE O=C(N/N=C/c1ccc(Cl)cc1Cl)[C@@H]1C[C@H]1C(=O)N/N=C/c1ccc(Cl)cc1Cl 3150535 YZFSNXMNEFOEED-GQYOOOLCSA-N 472.159 4.537 50 10 JJGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)COc1ccc(Cl)cc1Cl 10682886 RSHFMWMVNVNVMC-KBXCAEBGSA-N 453.366 4.891 50 10 JJGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc([C@H](C)CC)cc1 14649867 GHLVWARQTQVXLW-MRXNPFEDSA-N 477.399 4.982 50 10 JJGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(OC)cc1 101241701 UJXONRWFDVPLAJ-IRJMIRDBSA-N 488.396 4.730 50 10 JJGE O=S(=O)(N[C@@H]1CCCCC[C@H]1Br)c1cc(Cl)c(Br)s1 136201287 SYUKDTCIVOSDPF-VXNVDRBHSA-N 451.633 4.539 50 10 JJGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(F)cc1 210035213 MVLDAWXFBCLCIY-UUYOSTAYSA-N 473.485 4.745 50 10 JJGE C[C@@H](Br)CCCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 227803181 YGKSPXXQLANPRC-SSDOTTSWSA-N 454.011 4.598 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N(CCCBr)C1CCC1 232482222 DHMAYEDRMFDKSD-UHFFFAOYSA-N 454.000 4.991 50 10 JJGE Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)COc1ccc(Cl)cc1Br 252635886 XBCPVGIFFOSFLD-UHFFFAOYSA-N 482.165 4.779 50 10 JJGE COc1ccc(OC)c(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)c1 254392715 ZHPGXPPOPWEOLB-UHFFFAOYSA-N 487.585 4.502 50 10 JJGE CC(=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccc(OCC(N)=O)cc1 254710602 PUCMPAXOWZVHQD-UHFFFAOYSA-N 472.932 4.573 50 10 JJGE COc1ccccc1C(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 263632195 NTBFEJAMEBDZTC-UHFFFAOYSA-N 494.503 4.898 50 10 JJGE O=C(CCCCBr)Nc1ccc(Br)c(I)c1 300906526 DRGBOHSDNMVYCX-UHFFFAOYSA-N 460.935 4.557 50 10 JJGE Cn1ncc([C@H](Cl)c2c(Br)cc(F)c(F)c2F)c1I 398550703 ZKFMPZCTEGIIMF-QMMMGPOBSA-N 465.438 4.533 50 10 JJGE ClCCc1nc2cc(I)ccc2n1Cc1sncc1Br 722793127 ZIHDRQQGZLGWFY-UHFFFAOYSA-N 482.572 4.690 50 10 JJGE CSc1ccc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 725408280 MKKMRCJXYNPURO-UHFFFAOYSA-N 481.643 4.878 50 10 JJGE COc1ccccc1C(=O)NN=Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 1084132560 JICUIJYFINQJQA-UHFFFAOYSA-N 469.335 4.809 50 10 JJGE COc1cc2ccccc2cc1C(=O)NN=Cc1ccccc1OCc1ccc(C(=O)O)cc1 1084530750 MIGFEQKQXIAMCK-UHFFFAOYSA-N 454.482 4.890 50 10 JJGE Cc1ccccc1C(=O)NCC(=NNC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 1088687467 VLQDCOCRGYOUBO-UHFFFAOYSA-N 470.451 4.849 50 10 JJGE CC(=O)CCc1ccc(OCc2cccc(C(=O)NNc3cc(C(F)(F)F)ccn3)c2)cc1 1637329514 GHHWQPSRAGCEKM-UHFFFAOYSA-N 457.452 4.958 50 10 JJGE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1 1639383710 FESZLONSFXOWME-OAQYLSRUSA-N 452.555 4.756 50 10 JJGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)Nc1ccc(F)c(Cl)c1 1858682503 VVSNVCILFBMDOH-UHFFFAOYSA-N 478.795 4.550 50 10 JJGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(C)cc2)c(OC)c1 1865695479 OPTWSROHBCTQPQ-XMMPIXPASA-N 458.562 4.970 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1cccc([N+](=O)[O-])c1 1865705994 LKUWORXIPMNFJJ-HNNXBMFYSA-N 461.787 4.671 50 10 JJGE COc1ccc(-c2ccc(C(=O)NNC(=O)[C@H](Cc3ccccc3)c3ccccc3)c(C)n2)cc1 1865757198 RADJSFKHMKLMES-AREMUKBSSA-N 465.553 4.853 50 10 JJGE COc1cc(C)c([C@H](Br)c2cc(Br)n(C)n2)cc1Br 1901559642 OYFWMQHLGXWMCA-ZDUSSCGKSA-N 452.972 4.746 50 10 JJGE Cc1sc(C(=O)N[C@H](CCBr)COCc2ccccc2)cc1Br 1902796681 PVNKHMMNBGNBPG-CQSZACIVSA-N 461.219 4.919 50 10 JJGE CC(C)[C@H]1[C@@H](NCCSSCCNC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 1987815245 PJWQCHYUYQHGQM-IRXDYDNUSA-N 463.710 4.516 50 10 JJGE CC1(CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)CC(F)(F)C1 2017229764 ZVWUHVPEHLVAJG-INIZCTEOSA-N 459.315 4.643 50 10 JJGE O=S(=O)(C[C@H](Br)c1scc(Br)c1Br)N1CCCCC1 2089400948 VXQTUSLGHPOZRP-VIFPVBQESA-N 496.084 4.525 50 10 JJGE O=C(N[C@@H]1CCC[C@@H]1CCBr)c1cc(Cl)ccc1I 2090571515 IUILEIHGJWVRRD-NOZJJQNGSA-N 456.549 4.628 50 10 JJGE CN([C@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CCl)cc1Br 2100207657 OBUNKFJKRYLDAD-ROUUACIJSA-N 458.805 4.556 50 10 JJGE Cl[C@@H](c1cc(I)sn1)c1cc2c(cc1Br)OCCO2 2120031174 GVENVVJIIWWEIB-GFCCVEGCSA-N 472.529 4.610 50 10 JJGE C[C@H]1Cc2cc([C@@H](Br)c3nn(C)cc3Br)cc(Br)c2O1 2146617500 ZFBLPBMUQBPNSL-JVXZTZIISA-N 464.983 4.753 50 10 JJGE COc1ccc([C@@H](Br)c2cc(I)ccc2F)cc1OC 2169668038 LXMHORRQPMATGO-OAHLLOKOSA-N 451.073 4.932 50 10 JJGE C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2179833272 AVEAPSAFQLENOA-CQSZACIVSA-N 492.266 4.783 50 10 JJGE COc1cc(CBr)ccc1S(=O)(=O)N(Cc1ccccc1)CC1CCCC1 2179859340 CCBVZTSXCSWDRN-UHFFFAOYSA-N 452.414 4.971 50 10 JJGE CN([C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21)S(=O)(=O)c1cc(CBr)cs1 2190545895 CSQJIJGRVDHBCR-ZSYWTGECSA-N 470.454 4.647 50 10 JJGE CC(C)C(=O)[C@H](Br)Cc1ccc(Br)cc1I 2212600098 AIJQTFRWZHFJJV-SNVBAGLBSA-N 459.947 4.585 50 10 JJGE C[C@H](Br)C1CCN(C(=O)Cc2cc(Br)cc(Br)c2)CC1 2295306989 DAKQRLISEWQVTA-JTQLQIEISA-N 468.027 4.776 50 10 JJGE Cc1cccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(C)c(C)c3)C2=O)c1 2314594156 ZYSCKQQRDYRICS-DEOSSOPVSA-N 471.582 4.948 50 10 JJGE O=C(COc1ccc(C(=O)NCc2ccccc2)cc1)NN=Cc1cccc(OCc2ccccc2)c1 2321698128 JCWJMRCSAMNECF-UHFFFAOYSA-N 493.563 4.725 50 10 JJGE COc1ccc([C@H](Br)c2c(Br)c(Br)nn2C)cc1C 2338859163 DEZMEAIDVWIENK-JTQLQIEISA-N 452.972 4.746 50 10 JJGE COc1c(F)cc(COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)cc1F 2363444115 DXMXZRPRQPLXCM-UHFFFAOYSA-N 497.320 4.695 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CCS(=O)(=O)CC1 2365189815 YSZHNGSFJLUBAN-LLVKDONJSA-N 493.030 4.920 50 10 JJGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1 14029825 BJSXVYRFGPGRPW-UHFFFAOYSA-N 491.613 4.784 50 10 JJGE CCc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)c(Br)c1 14038744 QGQCMSDSVHHSMP-KRWDZBQOSA-N 497.389 4.672 50 10 JJGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1 14643016 NQNSOLSEIRKYAK-QGZVFWFLSA-N 467.363 4.961 50 10 JJGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)Cn1ccc2ccccc21 14776302 LKBPOWWZAASWPG-UHFFFAOYSA-N 472.383 4.824 50 10 JJGE COc1cc(OC)c(/C=N/NC(=O)c2cccc(NC(=O)c3ccccc3C)c2)cc1Br 27520126 UAPDOWWPFDRPGH-VULFUBBASA-N 496.361 4.791 50 10 JJGE COc1ccc(/C=C\C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 33507994 JNGCDYHNCGJTHT-WSVATBPTSA-N 471.557 4.719 50 10 JJGE CCOc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3nc(O)c4ccccc4n3)cc2)cc1 34988286 BHTJAEUGFZFCIA-XDJHFCHBSA-N 466.497 4.816 50 10 JJGE N#C/C(=C\c1ccccc1OCC(=O)Nc1nccs1)C(=O)Nc1ccc2ccccc2c1 35519747 ABFGWMWRZGYQMF-DEDYPNTBSA-N 454.511 4.859 50 10 JJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1 38650738 LEOMADIOPKBLPL-DEOSSOPVSA-N 471.469 4.821 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)c(OC)c1 38657083 DWHAFDJNUOJMCT-HHHXNRCGSA-N 486.524 4.523 50 10 JJGE Cc1ccccc1NC(=O)/C(C#N)=C/c1c(Oc2ccc(F)cc2)nc2c(C)cccn2c1=O 39992973 HGGOZHKSFKDHKP-NBVRZTHBSA-N 454.461 4.788 50 10 JJGE CC[C@@H]1[C@H](CBr)CCN1C(=O)c1cc(Br)cc(Br)c1 386343375 XJAFTMPADWJCDW-TVQRCGJNSA-N 454.000 4.847 50 10 JJGE O=C1Cc2cc([C@@H](Cl)c3sccc3I)c(Br)cc2N1 388895990 UBMWSWYCNIVNCQ-GFCCVEGCSA-N 468.541 4.938 50 10 JJGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@@H](Cl)CC[C@H]2C1 398803423 SABQCAHLIPROKQ-UMNHJUIQSA-N 468.560 4.533 50 10 JJGE Cc1nnc(COc2c(Br)cc(CBr)cc2Br)s1 698589093 SVYFBICCSHXWGP-UHFFFAOYSA-N 456.985 4.845 50 10 JJGE O=C(NC1(CBr)CCCCCCC1)c1csc(I)c1 713439086 ZLPWARCQFKMJHT-UHFFFAOYSA-N 456.187 4.961 50 10 JJGE Cc1cccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1[N+](=O)[O-] 725422624 HMGKBAAVAFUADE-WMZOPIPTSA-N 480.302 4.690 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)c(-c2ccccc2)n1 725717020 DJIAOOMNIJVMMI-JWGURIENSA-N 487.523 4.657 50 10 JJGE Cc1cc(Br)ccc1OCC(=O)NN=Cc1ccc(OCc2ccccc2)cc1 1084485853 HBDXPPMKJZTCSD-UHFFFAOYSA-N 453.336 4.866 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC1C[C@@H]2C[C@H](C1)CN(C(=O)OC(C)(C)C)C2 1257841856 AFEGIQVAVZFOJQ-JWTNVVGKSA-N 475.721 4.518 50 10 JJGE C#CCN1CCC[C@H](NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C1 1644638885 ZRZIDIHBKZBDCK-JCAJYURWSA-N 455.389 4.522 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2C(C)C)ccc1OC(C)C 1772756139 ZLAWVHWXOKFGBE-UHFFFAOYSA-N 463.372 4.897 50 10 JJGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCCc1ccccc1 1772760438 MRXIACZMRZCYHZ-UHFFFAOYSA-N 474.586 4.826 50 10 JJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc1 1865709441 VKFHHUHHMIRQSE-QHCPKHFHSA-N 478.508 4.553 50 10 JJGE CN(C1CC(OCc2ccccc2)C1)S(=O)(=O)c1ccc(CCl)cc1Br 2100216238 NDZWNGCXMATSHD-UHFFFAOYSA-N 458.805 4.556 50 10 JJGE Cc1csc(CN(C)S(=O)(=O)c2cc(CBr)sc2Br)c1 2179785050 HESUQSAMDOMDCU-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc(OCCCBr)cc1 2179830966 QUKGTIZPMPTQQW-QGZVFWFLSA-N 452.414 4.840 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2ccc(CBr)cc2)C[C@@H]1C(F)(F)F 2182845304 OPYIRRFWRIBQEO-CVEARBPZSA-N 451.327 4.717 50 10 JJGE CC(C)(C)OC(=O)N1CCN(C[C@H](CBr)c2ccccc2)[C@@H](C(F)(F)F)C1 2186682019 IACCZULDZRFBDA-JKSUJKDBSA-N 451.327 4.649 50 10 JJGE ClC[C@]12CCCC[C@H]1CN(c1ncc(I)cc1Br)C2 2230625894 VXZOQHMVAHJIQY-HZMBPMFUSA-N 455.565 4.684 50 10 JJGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OC[C@H]1C[C@H]2CCC[C@H]1CC2 2301131588 NTJHZLZYUJUNAQ-YIOZNXECSA-N 451.389 4.938 50 10 JJGE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccccc2C)cc1 2314532250 IAAYKCFANZCZEJ-UHFFFAOYSA-N 450.498 4.903 50 10 JJGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1 2331343180 ZKZUFSHIQOEKES-UHFFFAOYSA-N 474.498 4.931 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CCCCC[C@H]1CBr 2340053422 AHYSXAGMFOYUJR-NSHDSACASA-N 456.549 4.724 50 10 JJGE Fc1c(Br)ccc(CNCC(F)(F)C(F)(F)CI)c1F 2361673833 FXMCRKPNFIUKGP-UHFFFAOYSA-N 475.996 4.523 50 10 JJGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccc(OCCc2ccccc2)cc1 14041631 JYOJQEZIRVSPDV-FQEVSTJZSA-N 454.526 4.690 50 10 JJGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14652789 HIGKLUKOVGYEOQ-UHFFFAOYSA-N 496.361 4.565 50 10 JJGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NC2CCCCC2)cc1 33777575 QNNXQLLLAWIZIM-SILNSSARSA-N 456.546 4.714 50 10 JJGE COc1ccccc1/C=C(\C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1)c1ccccc1 38160926 IFLYPJKSSLCXKK-HKWRFOASSA-N 451.482 4.621 50 10 JJGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1 101336122 HOMWEGQDESBCCN-KOEQRZSOSA-N 480.568 4.947 50 10 JJGE Cn1c(SCC(=O)N/N=C\c2ccc(OCCCc3ccccc3)cc2)nc2ccccc21 169876335 JYECJVINGWZKON-IMRQLAEWSA-N 458.587 4.827 50 10 JJGE COc1ccc2ccccc2c1C=NNC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 254508003 WUUYSASENTWASK-PQGZKPSZSA-N 492.579 4.836 50 10 JJGE COc1cc2c(cc1NC(=O)CC(C)=NNC(=O)COc1ccccc1C)oc1ccccc12 254763011 CTTNXVMNPRQUJK-UHFFFAOYSA-N 459.502 4.803 50 10 JJGE O=C(N[C@@H]1CCC[C@@H](CCl)C1)c1cc(I)ccc1Br 311375952 VYVBBXRYURMXPK-MWLCHTKSSA-N 456.549 4.581 50 10 JJGE O=C(c1cc(Br)ccc1I)N1C2CCC1(CBr)CC2 722992823 ZBRNSRNAVFZFKA-UHFFFAOYSA-N 498.984 4.586 50 10 JJGE COc1cc(C=NNC(=O)c2ccc(F)cc2)cc(Br)c1OCc1ccccc1 1083960312 NXQFQDMSRKPKTF-UHFFFAOYSA-N 457.299 4.940 50 10 JJGE CCCN(CCC)c1ccc(C(=O)NN=Cc2c(C)nn(-c3ccc([N+](=O)[O-])cc3)c2C)cc1 1084610898 YUBKJSATKGMYMH-UHFFFAOYSA-N 462.554 4.788 50 10 JJGE C=CCc1cc(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)cc(OC)c1OC 1449279871 VEXIFALZWZSUSX-UHFFFAOYSA-N 458.440 4.665 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1O 1865682279 KZQXDJMDSKZXML-QHCPKHFHSA-N 450.498 4.780 50 10 JJGE Cc1cc2cc(CC(=O)N[C@@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)ccc2nc1O 1866917191 HWXCYBGFVRANRN-RUZDIDTESA-N 482.565 4.861 50 10 JJGE COc1cc(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4ccccc4C3=O)n2)c(OC)cc1Cl 1872754763 HLNIAEQKCFLMKL-MNDPQUGUSA-N 495.944 4.960 50 10 JJGE COc1cc(/C=N/NC(=O)[C@@H](N)Cc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 1873793785 XOZGDAMENKMNRT-PXGAOIJESA-N 472.372 4.601 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@H](Br)Cc1ccc(OCc2ccccc2)cc1 1886870732 DRBDMUKCUPVJKX-LJQANCHMSA-N 450.332 4.868 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CC[C@@]2(CCC[C@H]2Cl)C1 1918919675 CQMGFEAMXTYRRT-HIFRSBDPSA-N 468.560 4.677 50 10 JJGE CC1(NC(=O)c2ccc(I)c(Cl)c2)CCC(Br)CC1 1924735857 IFVXRRFXCSDAQX-UHFFFAOYSA-N 456.549 4.771 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 2010825109 FYCSGDBTEOPMFM-KZNAEPCWSA-N 475.721 4.660 50 10 JJGE CCN(C[C@@](C)(CI)OC[C@H]1CCC(C)(C)CO1)C(=O)OC(C)(C)C 2076725277 MFTWTVVEBVKQES-DNVCBOLYSA-N 469.404 4.659 50 10 JJGE ClCc1ccc(Br)c(Cl)c1N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2098113034 COKVKLRRSMNNRX-QZTJIDSGSA-N 456.211 4.931 50 10 JJGE CCC(CC)(CBr)CN=[S@]1(=O)CC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 2106788867 UFEJZPZDICQDTA-BCHFMIIMSA-N 451.471 4.829 50 10 JJGE CC(C)C[C@H](CBr)CNC(=O)c1c(Br)cccc1Br 2120737608 NBNBRGMTBIDVAT-SNVBAGLBSA-N 456.016 4.999 50 10 JJGE C[C@@H](Br)C[C@H]1COCCN1Cc1cccc(Br)c1Br 2128859855 RSGGCLVQDPDNMC-PWSUYJOCSA-N 456.016 4.586 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@@H](Br)[C@@H]1C1CC1 2130608364 SPHNKFHXTOYORU-YPMHNXCESA-N 451.984 4.600 50 10 JJGE CC(C)(C)OC(=O)NCC1(NC(=O)c2ccc(CCl)cc2)CCN(Cc2ccccc2)CC1 2130842686 AJHXEDNNHFZQID-UHFFFAOYSA-N 472.029 4.715 50 10 JJGE O=C(c1c(Br)cccc1Br)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2164664955 UGQSFTFCAKDYJH-KWBADKCTSA-N 466.011 4.990 50 10 JJGE Cc1c(CBr)cccc1S(=O)(=O)N1CC[C@@]1(C)CCOCc1ccccc1 2197751414 FUSWKZHOTSFRHY-NRFANRHFSA-N 452.414 4.650 50 10 JJGE Cc1cc(C(=O)N2CCC[C@@H]2C(C)(C)CBr)ccc1I 2207107115 OKKFFCWVNRRRGS-CQSZACIVSA-N 450.158 4.625 50 10 JJGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NCc2ccco2)cc1 2296543469 DYUGQKMOYXYQGE-UHFFFAOYSA-N 468.513 4.601 50 10 JJGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314440612 QWXFHYLQYKBBQD-KCITZHQASA-N 486.225 4.755 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H]2CC[C@H]1C[C@@H]2Br 2315496253 CKMFQYZMGNIPIQ-FJXKBIBVSA-N 458.013 4.661 50 10 JJGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CNc1ccc(I)cc1 2325309849 KTYAXAVJTKHBQT-UHFFFAOYSA-N 489.313 4.706 50 10 JJGE CC(C)c1csc(C(C#N)=C(O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 2331329827 KYSOCIDHLWGEBC-UHFFFAOYSA-N 454.508 4.824 50 10 JJGE C[C@H]1[C@H](C)N(C(=O)c2cc(I)ccc2Br)CC[C@H]1Cl 2344518915 BLWPTUJUVASFQD-MWODSPESSA-N 456.549 4.532 50 10 JJGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1-c1ccccc1 14667920 UQYDANYTRCUHQF-UHFFFAOYSA-N 483.362 4.743 50 10 JJGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1 33589049 VKQUKVLXPRCYFG-ATVHPVEESA-N 469.457 4.561 50 10 JJGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)cc1 33710058 QKTCWXVHOQQBDI-HKWRFOASSA-N 450.498 4.958 50 10 JJGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(Cl)cc2Cl)c(OC)c1 34896127 LPZVTUPOBOINPZ-GIBFOZDASA-N 457.313 4.830 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)c(OC)c1 38656966 OPCRMSTVBAOSNW-AREMUKBSSA-N 486.524 4.523 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2Br)c(OC)c1 40967528 QRZHCIRYRCZKDV-FOWTUZBSSA-N 457.324 4.500 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C(C)(C)C)cc2)c(OC)c1 40987877 GOCUEDVXXWABCI-HMMYKYKNSA-N 464.562 4.800 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)cc2)cc1 58893141 NBZPXTDRCZRQQY-YNAQZEJMSA-N 450.510 4.767 50 10 JJGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCC 58895346 BWAVZJBGNZFWKB-HTYUJRJUSA-N 454.567 4.575 50 10 JJGE CCOC(=O)/C(C#N)=C\c1cc(Br)c(OCCOc2ccccc2C)c(OC)c1 89269950 MWNJXCMOQVHPBG-BOPFTXTBSA-N 460.324 4.694 50 10 JJGE COc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(Cc2cccs2)C(=O)CCl)cc1OC 97914822 DOQATELVOOVXJA-KOBHVQJXSA-N 479.042 4.769 50 10 JJGE O=C(N[C@H]1CCCC[C@H]1CBr)c1cc(Br)ccc1Br 231618101 YGMMETOICYOZRE-ZANVPECISA-N 454.000 4.895 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2cc(F)ccc2F)[C@@H](CI)C1 382709550 WVUUJPDZRNEPHI-YOEHRIQHSA-N 457.258 4.752 50 10 JJGE Cc1ccc(OCC(=O)NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1Cl 1084375818 BOMKEHDEYXPCEI-UHFFFAOYSA-N 484.852 4.786 50 10 JJGE CC(=NNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccccc1 1084566567 NCPNPUKCYKJODW-UHFFFAOYSA-N 455.587 4.685 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2ccc(Cl)cc2[N+](=O)[O-])C1 1614629475 JWWGMACKMAOXCQ-PBHICJAKSA-N 453.720 4.995 50 10 JJGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772750910 CHWJRBNNEBGDRL-UHFFFAOYSA-N 478.552 4.805 50 10 JJGE C[C@@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)CC1=O 1872750657 JAHHYKFLDXUQLL-BPFGHPQZSA-N 473.554 4.984 50 10 JJGE COc1cccc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)c1OCc1ccccc1F 1873795438 JOFBMQBLLLGKFJ-STBIYBPSSA-N 487.572 4.949 50 10 JJGE CC(C)c1nc(Br)c(Br)n1CC(C)(C)CI 1904641926 GKQKERISLHXOPS-UHFFFAOYSA-N 463.983 4.993 50 10 JJGE COc1cc(Br)ccc1C(=O)N(C)C[C@@H](Br)COCc1ccccc1 1916334268 DSNHYUDJKFLBJW-MRXNPFEDSA-N 471.189 4.510 50 10 JJGE O=C(c1csc(Br)c1Br)N1CCSC[C@H]1CCBr 2032955550 ABHPJIMRVSZJBM-SSDOTTSWSA-N 478.069 4.616 50 10 JJGE C[C@@]1(CBr)CCCN(C(=O)c2csc(Br)c2Br)C1 2032956116 LJRBRIKVFIGOIA-LBPRGKRZSA-N 460.029 4.910 50 10 JJGE C[C@H](NC(=O)c1cc(Br)c(Br)s1)[C@@H]1CCC[C@H]1Br 2048891007 KKGYHJLNTGLZKO-BIIVOSGPSA-N 460.029 4.955 50 10 JJGE CC[C@@H](C)[C@@H](CBr)NC(=O)c1ccc(I)c(Br)c1 2081253449 KUKMEJHUHBNFQY-PRHODGIISA-N 488.989 4.593 50 10 JJGE Cc1cc(Br)c([C@H](Br)[C@H]2CCCS(=O)(=O)C2)cc1Br 2089861863 VPAUIGUYUXCNEB-TVQRCGJNSA-N 475.040 4.781 50 10 JJGE Cc1nn(C)c(Br)c1COc1ccc(Br)cc1CBr 2129300725 SPFIAXBDYNOKSL-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE CC[C@@H]1CN(C(=O)c2cccc(Br)c2Br)C[C@@H]1CBr 2140786355 PHBSIPYWTQXRDY-ZJUUUORDSA-N 454.000 4.705 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N[C@H](C)[C@@H](Br)C(C)C)cc1Br 2159246858 SQKOOUUPUMRWCT-RNCFNFMXSA-N 492.071 4.606 50 10 JJGE CC(C)(C)OC(=O)NCC[S@@](=O)(=NC[C@H](CBr)C1CCC1)c1ccccc1 2163652077 QCCXPNGDQNATKQ-SOKVYYICSA-N 459.450 4.849 50 10 JJGE O=S1(=O)CCc2cc([C@@H](Br)c3cc(Cl)c(Br)s3)ccc21 2170066189 FWMPIRYUYDFWPU-GFCCVEGCSA-N 456.608 4.978 50 10 JJGE O=C(NC[C@@H]1C[C@H](Cl)C12CCC2)c1ccc(Br)cc1I 2207270307 AIYKLJHARROCLI-ZANVPECISA-N 468.560 4.581 50 10 JJGE Clc1ccc(I)c(CN2CCC(OCCCBr)CC2)c1 2207528916 CPKBURCOUBXAPF-UHFFFAOYSA-N 472.592 4.711 50 10 JJGE CN(C(=O)OC(C)(C)C)[C@]12CCC[C@H](CN(CC(C)(C)CI)C1)C2 2306808849 DGWOLNQXRBMQGL-KXBFYZLASA-N 450.405 4.559 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OC 2313519027 RTVPXYRSJNVCLP-UHFFFAOYSA-N 482.705 4.898 50 10 JJGE N#CC(=CNCc1ccccc1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324599165 INWUYYQTHJBEDL-UHFFFAOYSA-N 471.004 4.771 50 10 JJGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)[C@H](C)N2C(=O)c3ccccc3C2=O)n1 2331410840 JVWGTCFYCBFPKY-LBPRGKRZSA-N 465.918 4.949 50 10 JJGE COc1ccc(CCO[C@@H](CCl)[C@H](I)CCl)c(Br)c1 2339258748 YGYVHEBVBCCWMP-OLZOCXBDSA-N 481.983 4.667 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1[C@H](CBr)C[C@H]2CCC[C@H]21 2365597514 HLPUVMQBOXZZGE-OLUVUFQESA-N 468.560 4.723 50 10 JJGE COC(=O)[C@@H](Br)C1(OCc2c(Br)cccc2Br)CCC1 2366225120 SEZYLEBROFCILT-GFCCVEGCSA-N 470.983 4.587 50 10 JJGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 3145749 SLZYYRVRGKTBEW-BRJLIKDPSA-N 455.511 4.566 50 10 JJGE COc1ccc(Cn2c(C)cc3c(c2=O)[C@H](c2cccc(Cl)c2Cl)C(C#N)=C(N)O3)cc1 12173132 MULUBMMCXRZLIM-HXUWFJFHSA-N 468.340 4.739 50 10 JJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)cc1 14029098 RGTVWFKPLTVPIM-UHFFFAOYSA-N 479.602 4.513 50 10 JJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccccc1OCCOc1ccccc1 14040571 OFJSUNQTWPKDKC-INIZCTEOSA-N 489.355 4.680 50 10 JJGE CO[C@H](C(=O)N/N=C/c1cc(OCc2ccccc2)ccc1Br)c1ccccc1 20220979 SYTMCVOVLBPZCV-IBUSPFOHSA-N 453.336 4.866 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OCCOCCOc1cccc(C)c1 34704783 MWPYBAGASINCMR-QJOMJCCJSA-N 490.556 4.685 50 10 JJGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1 38677281 TWQOXEQJNOVJCU-CPJLOUKISA-N 458.489 4.979 50 10 JJGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1 38687056 HEJKBQYDCRJHAV-CLJLJLNGSA-N 468.509 4.774 50 10 JJGE N#C/C(=C/c1c(Oc2ccccc2F)nc2ccccn2c1=O)C(=O)Nc1ccc(Cl)cc1 39858714 BFVIHHVYXFQGFH-SQFISAMPSA-N 460.852 4.825 50 10 JJGE CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 59483988 HAFKAKXSRXZTRR-MDWZMJQESA-N 482.705 4.898 50 10 JJGE CCOc1ccc(N(C(=O)/C(C#N)=C\c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 207128909 OVIOOBLJQSFUDM-FXBPSFAMSA-N 476.554 4.731 50 10 JJGE CC[C@@H](NC(=O)/C(C#N)=C\N1CCN(c2cccc(C)c2C)CC1)c1ccc2c(c1)CCCC2 217192578 ILRZOHAQEYHKRJ-VRDDCFLCSA-N 456.634 4.979 50 10 JJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3C)cc2)cc1 254713743 OOBZQMXUWIMXPO-UHFFFAOYSA-N 460.530 4.922 50 10 JJGE C[C@]1(CI)CC[C@H](c2ncc(Br)cc2Br)O1 309443188 ONXLMPOWJSOIJV-MWLCHTKSSA-N 460.935 4.652 50 10 JJGE Fc1cc2c(cc1I)nc(CCl)n2[C@@H]1CCN(Cc2ccccc2)C1 310665860 GVOMPLZRPWXTIR-CQSZACIVSA-N 469.729 4.966 50 10 JJGE Cn1ncc(Br)c1[C@@H](Br)c1cc(Br)cc2c1OCCC2 688386790 RJTUKEUEGWHOEC-LBPRGKRZSA-N 464.983 4.754 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@H](CCl)CC1 721578462 PENSQAUYPKFGDU-JTQLQIEISA-N 456.549 4.535 50 10 JJGE CSc1ccc(C=NNC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1 725433710 SDFHWAULEUBOIU-UHFFFAOYSA-N 488.034 4.716 50 10 JJGE CC(C)c1ccc([C@H](CNC(=O)NNC(=O)c2cccc3cccnc23)NC(=O)OC(C)(C)C)cc1 728953484 ZFDCNNFQZJRJBT-QFIPXVFZSA-N 491.592 4.568 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 1084554630 HFPCYNYFGHPMMP-NRFANRHFSA-N 471.897 4.871 50 10 JJGE COc1ccc(N2N=C(C#N)C3=C([C@H](c4ccccc4)C(C#N)=C(N)O3)[C@H]2c2ccccc2)cc1 1088661346 XWPPYRQPYJXTOV-AOYPEHQESA-N 459.509 4.898 50 10 JJGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(F)(F)F 1858682651 CWVHBNXCOBUIJT-UHFFFAOYSA-N 476.367 4.637 50 10 JJGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)cc1OCC 1865690848 COLUDDJJCCMMRY-DEOSSOPVSA-N 459.550 4.762 50 10 JJGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865692917 PZDANUIVMYUDIG-OAQYLSRUSA-N 480.952 4.722 50 10 JJGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CCCOC)C4=O)n2)cc1 1872747887 YENANEULZUYLQK-LNVKXUELSA-N 489.553 4.791 50 10 JJGE COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc(OC)c1OCc1ccccc1 1873794816 BXZLKJZBVDEWGT-KQBIVOJMSA-N 499.608 4.672 50 10 JJGE Cc1csc(N(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1I 1879974275 WFBTXXHXHYNYMO-UHFFFAOYSA-N 454.330 4.842 50 10 JJGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(I)sn1 1884459964 QIRSDOSPSFOSBX-GFCCVEGCSA-N 479.181 4.564 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C[C@@H](Br)C1 1886113911 HCVUGDKTBDMMOQ-JHQQDIAJSA-N 485.422 4.982 50 10 JJGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1cccc(I)c1 1914211491 CKNZYAISTLAKBY-CYBMUJFWSA-N 458.137 4.717 50 10 JJGE CC1(C)C[C@@H](Cl)CN(C(=O)c2cc(I)ccc2Br)C1 1923193973 RVCCGVLCRQKHCJ-SECBINFHSA-N 456.549 4.533 50 10 JJGE Cc1nc(I)c(I)n1-c1ccc(Cl)cc1CCl 1941554756 XFFCVLLTILOYHB-UHFFFAOYSA-N 492.913 4.782 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C 1985349575 BEUMLNPOLGYLQY-IRXDYDNUSA-N 463.710 4.708 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H](Br)[C@@H](C2CC2)C1 2030221299 OJCPJLGIDJRPMK-VXNVDRBHSA-N 458.013 4.519 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Br)c(Br)s2)[C@H](C)C[C@H]1Br 2032199745 HLJZVTSAQJCXSG-BWZBUEFSSA-N 460.029 4.907 50 10 JJGE C[C@H](Br)C[C@H]1CCCCN1c1ncc(I)cc1Br 2069525538 KCENZPJPBWQAIG-GXSJLCMTSA-N 488.005 4.981 50 10 JJGE ClCCc1nc2cc(I)ccc2n1[C@@]12C[C@H]1CN(Cc1ccccc1)C2 2099679414 QNMIRXUZWHYUOE-HRAATJIYSA-N 477.777 4.653 50 10 JJGE CCC(CC)(CBr)CN=[S@@]1(=O)CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 2106788866 UFEJZPZDICQDTA-AFMDSPMNSA-N 451.471 4.829 50 10 JJGE O=C(N[C@H](CBr)CC1CCOCC1)c1csc(Br)c1Br 2195493792 MFLZDVCVTWNGAA-VIFPVBQESA-N 490.055 4.583 50 10 JJGE Cc1cc(C(=O)NC[C@H]2CCCC[C@@H](Br)C2)ccc1I 2207108081 UXHIGTBLORWJAA-GXTWGEPZSA-N 450.158 4.673 50 10 JJGE Cc1ccc(I)c(C(=O)N[C@@]2(CBr)CCC[C@@H](C)C2)c1 2240912264 HLMSYWAZGPBKHH-WBMJQRKESA-N 450.158 4.673 50 10 JJGE C[C@@H](Br)CN(C(=O)c1cc(Cl)ccc1I)C(C)(C)C 2272479586 ORQCQSOPUWRIDJ-SECBINFHSA-N 458.565 4.969 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@@H](Br)C12CCC2 2295314427 XXIBRZVBIFSBIP-CYBMUJFWSA-N 466.011 4.673 50 10 JJGE N#CC(=Cc1ccc(OCc2ccccc2F)c(Br)c1)C(=O)NCc1ccco1 2313540615 KNZBBJSXFJUYLS-UHFFFAOYSA-N 455.283 4.984 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(O)c2)sc2c1CC[C@@H](CC)C2 2314572282 XPKDAPPAGUCKOG-CQSZACIVSA-N 454.548 4.700 50 10 JJGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 2314618456 NWUBWLRRKPBHFC-HSZRJFAPSA-N 498.970 4.964 50 10 JJGE FC1(F)CCN(Cc2ccc(I)c(Br)c2)CC[C@H]1Cl 2349849588 BMJWIBJQGHSPON-GFCCVEGCSA-N 464.519 4.892 50 10 JJGE Cn1nc(Br)c(Br)c1[C@@H](Br)Cc1nc2ccccc2o1 2364037786 ULMJENZYBQCHQM-ZETCQYMHSA-N 463.955 4.765 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CC[C@H]2CC[C@H](Br)[C@H]1C2 2365598459 QOZHBFZRBIOPEU-LJWDBELGSA-N 468.560 4.723 50 10 JJGE O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc2ccccc12 2177279 HRTVHALJQGMNAL-WPWMEQJKSA-N 484.021 4.967 50 10 JJGE CC(C)(C)c1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1 14668241 AUQGRLRIFQIFRR-UHFFFAOYSA-N 461.400 4.884 50 10 JJGE Cc1nc(C)c(Cc2cccc(C(F)(F)F)c2)c(N2CCN(C(=O)C(C)(C)CCl)CC2)n1 35887711 XIGLBYDBQMHMGT-UHFFFAOYSA-N 468.951 4.617 50 10 JJGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816154 ATVKXPWDSBEMIB-ZXVVBBHZSA-N 496.361 4.838 50 10 JJGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2 40823896 ANOIQLSYVSEVRD-OVVQPSECSA-N 499.340 4.717 50 10 JJGE COc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1 40912318 QJZZSJQEWUCQDZ-AFUMVMLFSA-N 469.335 4.566 50 10 JJGE CCOc1cc(/C=C2/C(=O)N(c3cccc(C)c3)C(=O)N=C2O)ccc1OCCBr 83293294 VZHZBDUZCNFOKD-SFQUDFHCSA-N 473.323 4.674 50 10 JJGE COc1ccc(Cl)c(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)c1 169921926 FFARWTXZSZVAGO-JFLMPSFJSA-N 452.938 4.937 50 10 JJGE C[C@@H](Br)C1CCN(C(=O)c2ccc(Br)cc2Br)CC1 235127120 CIZAAVMLVSIFQC-SECBINFHSA-N 454.000 4.847 50 10 JJGE O=C(NN=C/C=C\c1ccccc1)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)NN=C/C=C\c1ccccc1 254626856 IFSARANVDOTMOA-NDLLEWJKSA-N 493.523 4.609 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc([N+](=O)[O-])c1O 254751157 ALAGDWRAXSAKON-UHFFFAOYSA-N 457.527 4.552 50 10 JJGE CCOc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)cc1OCC 255947987 VESBOAXZNMBDLU-SNIWVNSTSA-N 465.594 4.866 50 10 JJGE O=C(NC[C@H]1CCC[C@H](CCl)C1)c1cc(Br)ccc1I 312245931 DOAADDFPCJTGQO-QWRGUYRKSA-N 470.576 4.829 50 10 JJGE CC[C@@H]1[C@H](CBr)CCN1c1ncc(C(F)(F)F)cc1I 686106296 ISMFUJHLTORGDM-GZMMTYOYSA-N 463.079 4.705 50 10 JJGE C[C@@H](CCCBr)CNc1ncc(C(F)(F)F)cc1I 686112833 OQSVXUJOZXKSIT-QMMMGPOBSA-N 451.068 4.928 50 10 JJGE CN(C[C@@H]1CCC[C@@H]1Br)c1ncc(C(F)(F)F)cc1I 686116453 RASGRFGYEAKDGZ-WPRPVWTQSA-N 463.079 4.705 50 10 JJGE CCO[C@@H](CO[C@@](C)(CI)c1ccccc1Br)C1CC1 703478073 HTGUQBGFXGDYNC-HOTGVXAUSA-N 453.158 4.931 50 10 JJGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3nn(C)cc3Br)c2O1 720043094 NANAEURWOMYUDN-MADCSZMMSA-N 464.983 4.753 50 10 JJGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1cccc([N+](=O)[O-])c1 1083946772 RGGPYSAKMMOFDN-QHCPKHFHSA-N 477.517 4.536 50 10 JJGE COc1ccc(OCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 1084275451 GNJCTTQJEPIBRX-UHFFFAOYSA-N 499.361 4.574 50 10 JJGE O=C(NN=C(CSc1nc2ccccc2o1)c1cccc(Br)c1)c1cccnc1 1084313393 UBVVWABSHJICER-UHFFFAOYSA-N 467.348 4.912 50 10 JJGE COc1cc(C=NNC(=O)c2ccccc2Br)cc(Br)c1OC(C)C 1084515715 ZYVSZENKPQJWDK-UHFFFAOYSA-N 470.161 4.771 50 10 JJGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772745446 ZVRYRAYRAJYRLJ-UHFFFAOYSA-N 482.334 4.779 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)ccc1OCCc1ccccc1 1865688236 NOOWSQBPKWHMMX-RUZDIDTESA-N 478.552 4.935 50 10 JJGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706100 NPRIHKMMUDKHRQ-FQEVSTJZSA-N 467.888 4.803 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2snc3ccccc23)cc1 1867270499 WWQCHVGHFZGSOF-NRFANRHFSA-N 458.568 4.849 50 10 JJGE Cc1cc(C(=O)N[C@H](CCBr)COCc2ccccc2)sc1Br 1902777627 NONFNCRRJOPYNG-CQSZACIVSA-N 461.219 4.919 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@@H](Br)CC2(CC2)C1 1926033635 PUXFLTHZGRTOAO-ZETCQYMHSA-N 458.013 4.663 50 10 JJGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1cc(Br)sc1Br 2042546334 XGLLPPJYLLJBBI-BUVSBJAHSA-N 458.013 4.565 50 10 JJGE CCN(C[C@@](C)(CI)O[C@@H]1COC2(CCCC2)C1)C(=O)OC(C)(C)C 2069129966 YLTPWBZEOSCZJA-MAUKXSAKSA-N 467.388 4.555 50 10 JJGE C[C@H]1CN(c2ncc(I)cc2Br)CC[C@H]1CCBr 2069529925 UMFBFSVOGGGPSL-VHSXEESVSA-N 488.005 4.696 50 10 JJGE O=S1(=O)CCC[C@H]([C@H](Br)c2scc(C(F)(F)F)c2Br)C1 2146094073 CYMJMADUMXXXCT-XPUUQOCRSA-N 456.143 4.790 50 10 JJGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2CCC[C@@H](Cl)[C@H]2C1 2150974103 UTIMAHGVLUTJCR-TVYUQYBPSA-N 468.560 4.533 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1[C@H]2CCC[C@H](Br)[C@H]1CC2 2154105098 ASIMKHBJIRBBOR-VHRBIJSZSA-N 468.560 4.865 50 10 JJGE CN(C[C@H]1C[C@@H]1Br)C(=O)c1c[nH]c2cc(Br)c(Br)cc12 2196914042 JJOKSKBFTWUPRQ-XCBNKYQSSA-N 464.983 4.548 50 10 JJGE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(CCCCI)CC2 2248241481 OEDWCPXDBYSQRS-MRXNPFEDSA-N 450.405 4.559 50 10 JJGE C[C@@]1(CNC(=O)c2cc(Cl)ccc2I)CCC[C@H]1Br 2271295691 KHZLZALTUVCMKV-OCCSQVGLSA-N 456.549 4.628 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1CCC[C@@H](Br)C1 2277935432 GOIFKPBJVNKGJI-ZWNOBZJWSA-N 454.000 4.576 50 10 JJGE COc1ccc([C@@H](Br)[C@@H]2C[C@H]3COC[C@H](C3)C2)cc1I 2284998498 RJCCALLXASCREO-KTSGXFQWSA-N 451.142 4.799 50 10 JJGE COc1ccc([C@H](Br)c2cc(I)ccc2F)c(OC)c1 2287095014 VGACSQLDGUXDSA-HNNXBMFYSA-N 451.073 4.932 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@]12C[C@@H](CBr)C2 2295312049 SLTTWIVNNGCUSC-FUKZOUPISA-N 466.011 4.530 50 10 JJGE COc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc1 2296719395 LPDORQSULWXALV-UHFFFAOYSA-N 472.888 4.694 50 10 JJGE Cc1cccn2c(C=C(C#N)C(=O)Nc3sc4c(c3C(N)=O)CCCC4)c(-c3ccccc3)nc12 2296851830 UJHGGTQOWZMKJC-UHFFFAOYSA-N 481.581 4.895 50 10 JJGE CCCn1c(C)cc(C=C(C#N)C(=O)Nc2cc(OCC)c(N3CCOCC3)cc2OCC)c1C 2297375310 DWFRYMGAZAWTFL-UHFFFAOYSA-N 480.609 4.695 50 10 JJGE COc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)C(=O)Nc1ccc(C)c(C)c1 2314532841 NAGBMRQSAQUTFZ-UHFFFAOYSA-N 466.497 4.658 50 10 JJGE Cc1[nH]c2ccccc2c1C=C(C#N)C(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 2314656317 HFTUOXQDKAXKSE-SFHVURJKSA-N 488.613 4.871 50 10 JJGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)NCCc3ccccc3)N(c3ccccc3)C2=O)cc1 2330037 ILRBIPQEMQORIO-NJEMLTPYSA-N 467.594 4.780 50 10 JJGE N#C/C(=C/c1ccccc1C(F)(F)F)C(=O)/N=c1\[nH]c2c(s1)CN(Cc1ccccc1)CC2 33284881 YDTNPFWGDQTJFC-PDGQHHTCSA-N 468.504 4.688 50 10 JJGE C/C(=N/NC(=O)CN1CCN(Cc2ccccc2Cl)CC1)c1ccc(-c2ccccc2)cc1 34720754 GAIAXDWQPXPQPY-ANYBSYGZSA-N 461.009 4.665 50 10 JJGE Cc1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 40912338 KNLJYYDMPUCDND-AFUMVMLFSA-N 453.336 4.866 50 10 JJGE CCOC(=O)[C@H](Br)Cc1c(Br)cc(Br)cc1Br 134959875 QZUAIGRSAGZKSO-SNVBAGLBSA-N 493.815 4.843 50 10 JJGE Cc1ccc(SCC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 252607850 HFLGUIOVGLWPLB-UHFFFAOYSA-N 467.978 4.908 50 10 JJGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3)nnc2-c2ccccc2)cc1 254488799 JBDKBTQRANHYNV-UHFFFAOYSA-N 457.559 4.575 50 10 JJGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN=C/C=C/c1ccccc1[N+](=O)[O-] 254490244 SEKMOWVKUFSEPW-JDVAZCMNSA-N 484.541 4.750 50 10 JJGE COc1ccc(C(=O)Nc2cccc(C(C)=NNC(=O)c3ccccc3Cl)c2)cc1OC 254798539 VAOVXGRXWUXAPG-UHFFFAOYSA-N 451.910 4.764 50 10 JJGE CCOC1CC(C[C@@H](Br)c2cc(I)cc3c2OCC3)C1 380287756 QOQQWWLEDKGKLK-JHANDDDOSA-N 451.142 4.867 50 10 JJGE O=C(Nc1cc(I)cc(I)c1)c1ccc(CCl)cc1 690346187 MSOKYXHTJIZSGH-UHFFFAOYSA-N 497.501 4.887 50 10 JJGE CCO[C@H](CO[C@](C)(CI)c1ccccc1Br)C1CC1 703478074 HTGUQBGFXGDYNC-HZPDHXFCSA-N 453.158 4.931 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c(-c2ccccc2)n1 914465197 HARQTCDTCLBRKY-HAVVHWLPSA-N 499.018 4.805 50 10 JJGE CC(=NNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1cccs1 1084445594 MBKPAHMSJWSWJU-UHFFFAOYSA-N 461.616 4.747 50 10 JJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(C)cc1 1084586331 WWOVEDBGXNBNRU-QGZVFWFLSA-N 469.014 4.669 50 10 JJGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1 1865684768 XVLREGFTOZXXNS-INIZCTEOSA-N 491.267 4.880 50 10 JJGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cccc(Cl)c1 1865709766 GJJNNKMXGNGSIW-KRWDZBQOSA-N 460.843 4.830 50 10 JJGE COc1ccc([C@@H](C(=O)N[C@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866986762 PXXKGEWADGIJPX-YADHBBJMSA-N 471.648 4.885 50 10 JJGE C[C@H](Br)CCN(C)Cc1ccc(I)c(Br)c1 1904345834 KRJKDOVCDYLCQZ-VIFPVBQESA-N 460.979 4.659 50 10 JJGE Cc1ccnc(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)c1Br 1927092164 RHWCRTMHDVECQR-MRXNPFEDSA-N 452.190 4.968 50 10 JJGE CC(C)(C)CN(CCBr)c1ncc(I)cc1Br 2015763049 TWEUNSIDZKLKAW-UHFFFAOYSA-N 475.994 4.696 50 10 JJGE CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=Cc1csc(N(C(C)=O)c2ccccc2)n1 2040448496 WHFMRMJSFBUQME-UHFFFAOYSA-N 462.531 4.739 50 10 JJGE CCN(C[C@@](C)(CI)OC[C@@H]1CCCC(C)(C)O1)C(=O)OC(C)(C)C 2065754162 APGAMIQRBWZMOU-HNAYVOBHSA-N 469.404 4.801 50 10 JJGE CC1(C)CC[C@@H](Cl)CN1C(=O)c1ccc(I)c(Br)c1 2099878435 HJHQSHNJGOPZFV-SNVBAGLBSA-N 456.549 4.676 50 10 JJGE CN(C(=O)c1c(Br)cccc1Br)[C@@H](CCBr)C(F)F 2122009367 QPGMRCAJZZYSIX-VIFPVBQESA-N 463.942 4.702 50 10 JJGE C[C@@H](Br)CCc1cn(Cc2cc(Br)ccc2Br)nn1 2132768457 XRBZMHQXSWHQQL-SECBINFHSA-N 451.988 4.567 50 10 JJGE CS(=O)(=O)c1csc([C@@H](Cl)c2ccc(Br)cc2I)c1 2142276191 AHEHDWQKXOHTFF-LBPRGKRZSA-N 491.597 4.847 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CC2(CC[C@H]1CCl)CC2 2154164751 WDUGHBYPUPWVGH-NSHDSACASA-N 468.560 4.677 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CCC([C@@H](F)CBr)CC1 2163243901 FKYLGAIRSVDTOG-ZDUSSCGKSA-N 471.990 4.797 50 10 JJGE O=S1(=O)CCc2cc([C@@H](Cl)c3sc(Br)cc3Br)ccc21 2170069994 IDGMZLYINDUXQT-GFCCVEGCSA-N 456.608 4.931 50 10 JJGE C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)c(Cl)c1 2179781562 XMBLYVUTTOLZTL-MRXNPFEDSA-N 471.848 4.520 50 10 JJGE Fc1cc(Br)c2nc(CCl)n(C[C@@H]3COCCN3Cc3ccccc3)c2c1 2194650823 UTBWGPUTJARAFC-MRXNPFEDSA-N 452.755 4.578 50 10 JJGE Cn1nc(Br)c([C@H](Br)c2sc(Br)cc2Br)n1 2210969535 AXKWKGMHVPPZIG-YFKPBYRVSA-N 494.832 4.648 50 10 JJGE CSCC[C@H](Br)CCNC(=O)c1ccc(Cl)c(I)c1 2268349078 ZIPAZKPGSUWHOW-SNVBAGLBSA-N 476.605 4.581 50 10 JJGE CC1CC(CBr)(CN2CC[C@@H](C(F)(F)F)C[C@H]2CNC(=O)OC(C)(C)C)C1 2280053471 AMOZPMKFJWJLEG-DGSCNEQVSA-N 457.375 4.965 50 10 JJGE CC[C@@]1(C)[C@@H](Cl)CCN1C(=O)c1cc(Br)ccc1I 2336763343 ZMCSWFPJHZNQSU-JSGCOSHPSA-N 456.549 4.676 50 10 JJGE O=S1(=O)C[C@H]2C([C@@H](Br)c3c(F)cc(Cl)c(Br)c3Cl)[C@@H]2C1 2360484529 SRLJLACJKUGDJP-RDSNPXOSSA-N 466.981 4.622 50 10 JJGE FC(F)(F)[C@H]1CN(Cc2ccc(Cl)c(I)c2)C[C@@H]1CBr 2362381969 ZNXLMQCXEMARLE-UWVGGRQHSA-N 482.509 4.950 50 10 JJGE C[C@@]12CC[C@@](CBr)(C1)N(C(=O)c1ccc(Cl)cc1I)C2 2365588441 JIYKORIJPCOWDC-CABCVRRESA-N 468.560 4.724 50 10 JJGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c(Oc3ccc(F)cc3)nc12 39858706 ONFUUNIRTUHCHC-SSZFMOIBSA-N 458.424 4.619 50 10 JJGE O=C(NNc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-])c1ccc(Br)cc1 40588059 HIXOMVJWKKXBCN-UHFFFAOYSA-N 498.124 4.955 50 10 JJGE CCCc1nn2c(=O)cc(COc3ccc(/C=C(/C#N)c4nc5ccccc5[nH]4)cc3OC)nc2s1 50806588 VJODQZWJWZFRNW-BOPFTXTBSA-N 498.568 4.632 50 10 JJGE O=C(N/N=C(/CSc1nc2ccccc2o1)c1ccc(F)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 59460502 FCMOSZWRZOECBT-PLRJNAJWSA-N 495.448 4.710 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OC(=O)c1ccc(C)cc1 96515528 WEMSLMOXFCJHNH-ZHZULCJRSA-N 470.481 4.857 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc1 102858408 DBKXXUBFTNZHKW-CCOQBKANSA-N 456.546 4.530 50 10 JJGE CC(C)COc1c(Cl)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc(O)n2)cc1Cl 169923279 UZLKCTHYQCTELQ-OPEKNORGSA-N 459.333 4.955 50 10 JJGE O=C(N[C@@H]1CCCC[C@@H]1CBr)c1cc(Br)ccc1Br 231618090 YGMMETOICYOZRE-NOZJJQNGSA-N 454.000 4.895 50 10 JJGE CC(C)(C)C(=O)[C@@H](Br)Cc1ccc(I)cc1Br 304201390 NEESWLDYDDFVDE-NSHDSACASA-N 473.974 4.975 50 10 JJGE Cc1cccc(C(CBr)(CBr)Cc2cn(C)nc2Br)c1 714088963 LPZQDHMTXDFRFQ-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE Cc1nc(-c2ccc(CNC(=O)/C(C#N)=C/c3cc(C)n(C[C@@H]4CCCO4)c3C)cc2)cs1 746055611 WSBZINVVENZKCS-RLMQVFMBSA-N 460.603 4.939 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)NCc2ccccc2CN2CCCC2=O)c(C)n1-c1ccc(F)cc1 914574162 FKBYSPKPJHCWLZ-BUVRLJJBSA-N 470.548 4.579 50 10 JJGE COc1cc(C=NNC(=O)COc2cc(C)ccc2C(C)C)ccc1OC(=O)c1cccs1 1565517842 JCOYTBAZWCVPJD-UHFFFAOYSA-N 466.559 4.937 50 10 JJGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)CCCOCc1ccccc1 1915079163 ZASGLAFDFDIXFP-OAQYLSRUSA-N 454.430 4.599 50 10 JJGE CN(C[C@H](Br)COCc1ccccc1)c1ccnc2cc(Br)cnc12 1916332854 LRXQDHWSTGTEOT-INIZCTEOSA-N 465.189 4.809 50 10 JJGE O=C(CBr)c1c(C(F)(F)F)ccc(OC(F)(F)F)c1I 2055150863 SUOKMCDZWAQDQT-UHFFFAOYSA-N 476.936 4.786 50 10 JJGE O=C(CBr)c1cc(I)c(OC(F)(F)F)c(C(F)F)c1 2060384056 LJPDBYYHUAQVIJ-UHFFFAOYSA-N 458.946 4.705 50 10 JJGE Fc1cccc(Cn2nc(CBr)c(I)c2C(F)(F)F)c1 2079243330 SEGSTUDAMILDCI-UHFFFAOYSA-N 463.010 4.589 50 10 JJGE CN(CCCCCBr)C(=O)c1ccc(Br)cc1I 2086147110 JMHKHCIUIICPMW-UHFFFAOYSA-N 488.989 4.691 50 10 JJGE CC1(C)[C@@H](NC(=O)c2ccc(I)c(Br)c2)CC[C@H]1Cl 2142125120 DLTHVYMKKKQMRM-NEPJUHHUSA-N 456.549 4.580 50 10 JJGE Cc1cc(C(=O)N[C@H](C)CCCCCI)ccc1I 2142139778 AYYWYYYDTPIYHS-GFCCVEGCSA-N 485.147 4.713 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H]2CCC[C@@]2(CBr)C1 2159408512 LSBDRIQTIGULOA-XHDPSFHLSA-N 468.560 4.582 50 10 JJGE Cc1csc(CBr)c1S(=O)(=O)N(C)[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2179819347 KXJJRKDSHOVAGH-LPHOPBHVSA-N 472.470 4.956 50 10 JJGE O=C(NC[C@@]12CCC[C@@]1(CBr)C2)c1cc(Cl)ccc1I 2208040314 RBUFXUIZLMRFRU-GJZGRUSLSA-N 468.560 4.630 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(CCCCCI)C2)C1 2220221612 DESIOVYSKRRTDX-ROUUACIJSA-N 464.432 4.951 50 10 JJGE Cn1cc([C@@H](Br)c2c(F)cc(F)c(Br)c2F)nc1Br 2227810693 XPKFPVABOJVOMM-SECBINFHSA-N 462.889 4.847 50 10 JJGE O=C(NC1(CBr)CCCCC1)c1ccc(Cl)c(I)c1 2268342529 GPXGZDDIPFDCKK-UHFFFAOYSA-N 456.549 4.772 50 10 JJGE C[C@@H]1C[C@H](Br)CCN(C(=O)c2ccc(Cl)c(I)c2)C1 2268353186 RWVLEAOLSRKJMT-MWLCHTKSSA-N 456.549 4.580 50 10 JJGE C=CCC[C@@H](CBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277921526 TXGZQVAJDBQBLD-ZDUSSCGKSA-N 454.000 4.600 50 10 JJGE C[C@@](CBr)(NC(=O)Cc1cc(Br)cc(Br)c1)C(F)(F)F 2295311474 LCJFFIRPQPRFAD-NSHDSACASA-N 481.932 4.586 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@H]2CCCO2)cc1 2296728690 DBKXXUBFTNZHKW-RUZDIDTESA-N 456.546 4.530 50 10 JJGE CCCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc([N+](=O)[O-])cc2)cc1 2297322605 VGDFDTDNLAYNBN-UHFFFAOYSA-N 486.528 4.695 50 10 JJGE Cc1cc(F)c(Br)cc1C(=O)N[C@@H](CCBr)COCc1ccccc1 2320356611 OOKGXVPLTNISQC-HNNXBMFYSA-N 473.180 4.997 50 10 JJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2scc(Br)c2Br)[C@@H]1C 2321284734 ILOGJFQZYNYFPJ-RNJXMRFFSA-N 460.029 4.907 50 10 JJGE CCN(CC)c1ccc(C=NNC(=O)c2ccc(Nc3nc(O)c4ccccc4n3)cc2)cc1 2323766562 QHMPRMAVAGURLB-UHFFFAOYSA-N 454.534 4.689 50 10 JJGE Fc1cc(CBr)c(N2CC[C@@]3(CN(Cc4ccccc4)CCO3)C2)cc1Cl 2362392608 VWWOITNIOFXCFF-OAQYLSRUSA-N 453.783 4.855 50 10 JJGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cc(OCC)c(OCC)c(OCC)c2)c(OCC)c1 33378266 WZHAEEMNSSDPNW-MOSHPQCFSA-N 497.544 4.971 50 10 JJGE CCOC(=O)c1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1 33528343 PJWRCCQRWCNKGU-BSSRNLCFSA-N 497.576 4.928 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc1C 40814571 VXGRBJIZLXCJCN-SGWCAAJKSA-N 474.517 4.765 50 10 JJGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(OC)cc1 101241713 DTWQWLYHMHFUSE-URPBSQGJSA-N 488.396 4.730 50 10 JJGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=Cc1cccnc1 254516959 IOCVWOAKXBDUNB-UHFFFAOYSA-N 451.602 4.621 50 10 JJGE Oc1cc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)ccc1Br 382677550 YWNSZBZMOFXIEI-JKSUJKDBSA-N 472.164 4.805 50 10 JJGE C[C@H]1C[C@H](Br)CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 401605917 FOKZMRNPTXABFM-CBAPKCEASA-N 466.022 4.550 50 10 JJGE O=C(NC1(CCCl)CCCC1)c1cc(I)ccc1Br 687330160 LUXOTICZGWYKOJ-UHFFFAOYSA-N 456.549 4.725 50 10 JJGE CCCOc1ccc(C=NNC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OCC 1084454678 DAECWJJHQFTLKZ-UHFFFAOYSA-N 461.518 4.755 50 10 JJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(OC)c1)C(C#N)=C(N)O2 1865705801 GFLIIPZKKZSPGD-LJQANCHMSA-N 457.317 4.674 50 10 JJGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865707038 MINNECUTVRWMPG-JOCHJYFZSA-N 464.953 4.773 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865709041 MCCBVIYWULUKGT-QHCPKHFHSA-N 496.498 4.662 50 10 JJGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 1865709134 ORFKYWRRPFXLBE-FQEVSTJZSA-N 483.355 4.805 50 10 JJGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1865759117 JGHQBHCIHMSUCK-NYYWCZLTSA-N 471.300 4.746 50 10 JJGE Cc1nc(C(C)C)c(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)s1 1867154825 RZUULQNGQCWXBD-FQEVSTJZSA-N 480.615 4.834 50 10 JJGE CC(C)[C@H](CBr)N(Cc1ccccc1)c1ncncc1I 1915296373 SYOXFTNXYJXFBF-HNNXBMFYSA-N 460.157 4.507 50 10 JJGE CSCC[C@@H](Br)CCNC(=O)c1ccc(I)c(Cl)c1 2090385641 SCXOVLHNRFRELC-JTQLQIEISA-N 476.605 4.581 50 10 JJGE Clc1cc(CN2C[C@@H]3CCC[C@H](Br)[C@H]3C2)ccc1I 2142948543 BOQKIQIWSNNNSV-AVGNSLFASA-N 454.577 4.940 50 10 JJGE O=[N+]([O-])c1sc(CBr)cc1N1CCCN(Cc2ccccc2)CC(F)(F)C1 2152790759 QFHRAGPLNSAFNL-UHFFFAOYSA-N 460.344 4.899 50 10 JJGE BrCC(CBr)(C[C@H]1COCCCO1)c1cccc(Br)c1 2154010692 JNCZRVCORNIGQQ-AWEZNQCLSA-N 471.027 4.672 50 10 JJGE O=C(c1cc(Br)ccc1I)N1[C@H](CCl)C[C@@H]2CCC[C@@H]21 2164660624 ZOOMWTZXWVBGPX-CHIMOYNISA-N 468.560 4.676 50 10 JJGE FC(F)(F)CC1(CBr)CCN(C[C@@H]2CC2(Br)Br)CC1 2224804170 ZNSJYYPQFQOSAZ-VIFPVBQESA-N 471.981 4.922 50 10 JJGE COc1ccc([C@@H](Br)c2nn(C)c(Cl)c2Cl)cc1I 2269546208 NJCCWNOPDSAXRK-SECBINFHSA-N 475.939 4.824 50 10 JJGE CC[C@@H](C[C@@H](C)Br)NC(=O)Cc1cc(Br)cc(Br)c1 2277935570 PXOGTPFYMQAPQJ-RNCFNFMXSA-N 456.016 4.822 50 10 JJGE Cc1ccccc1C[C@H]1SC(=C(C#N)C(=O)NCc2ccccc2)N(c2ccc(F)cc2)C1=O 2293039079 AJTFVZDZUDSQMB-XMMPIXPASA-N 471.557 4.877 50 10 JJGE C[C@@H](Br)C1CCN(C(=O)Cc2cc(Br)cc(Br)c2)CC1 2295306990 DAKQRLISEWQVTA-SNVBAGLBSA-N 468.027 4.776 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1cccc(C)c1C 2314737231 SOZVDZPDZWFEEK-UHFFFAOYSA-N 470.525 4.520 50 10 JJGE COc1ccc(C=C(C(=O)NNC(=O)CCC(=O)c2ccc(C)cc2C)c2ccccc2)cc1 2321193442 ZDVOGSHISKASFK-UHFFFAOYSA-N 456.542 4.663 50 10 JJGE COc1cccc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)c1OCc1ccccc1 2328835266 ZYMGGAVCMDPGLW-UHFFFAOYSA-N 469.582 4.809 50 10 JJGE ClCC(CCl)(Cc1ncc(I)cn1)c1ccccc1Br 2381294513 YEYBMFAKLYDZCX-UHFFFAOYSA-N 485.978 4.802 50 10 JJGE Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 13921282 BBQXJGFWGYIZQD-LGJNPRDNSA-N 470.312 4.610 50 10 JJGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(C)cccc3C)ccc21 38650022 QPCCGKPXXVSVCM-VWLOTQADSA-N 456.498 4.515 50 10 JJGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)c1 38654053 ZFLUSNRYVBHLBS-DEOSSOPVSA-N 471.469 4.821 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)c1OC 38658727 WCLMIVDGPIFRIE-JOCHJYFZSA-N 462.889 4.795 50 10 JJGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1 38687051 HEJKBQYDCRJHAV-IZZNHLLZSA-N 468.509 4.774 50 10 JJGE CCOc1ccccc1Nc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40658832 MNKUUPDSIXHQOA-UHFFFAOYSA-N 463.281 4.591 50 10 JJGE CCCCCCCC(=O)NC(=S)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100171271 DYBWMKFESDCLHC-UHFFFAOYSA-N 486.476 4.508 50 10 JJGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244573 UFIQSPLHLIEVEV-HVBJHMBASA-N 473.529 4.899 50 10 JJGE O=C1N=C(S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc2c(c1)CCN2CCCCl 103127074 QOMJMMXLLKTBER-PDGQHHTCSA-N 493.938 4.939 50 10 JJGE CCN(CC)Cc1ccc(C(=O)NNC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccs2)o1 109007853 WALBBQKWUKRAGI-NTCAYCPXSA-N 489.601 4.510 50 10 JJGE CCC(CC)[C@@H](Br)CNC(=O)c1ccc(I)c(Cl)c1 230657738 VNUSKMSMIKOFMF-NSHDSACASA-N 458.565 4.874 50 10 JJGE Cc1ccccc1OCC(=O)NN=C1C(=O)N(Cc2ccc(OCCC(C)C)cc2)c2ccccc21 245284867 ULSBWOKHQPNTHQ-UHFFFAOYSA-N 485.584 4.866 50 10 JJGE Cc1ccc(-n2c(SCC(=O)NN=Cc3cccs3)nc3sc4c(c3c2=O)CCCC4)cc1 254834082 UKVACGNQCFFHEN-UHFFFAOYSA-N 494.667 4.938 50 10 JJGE CCCC(=O)[C@H](Br)Cc1ccc(Br)c(I)c1 300909754 QFNVBHLGOYHAFX-SNVBAGLBSA-N 459.947 4.729 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cccc(F)c2F)C1 382706651 UCIZSSZVAYVODR-GOEBONIOSA-N 457.258 4.752 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2CC[C@H](Br)C[C@H]2C1 398842248 PFKNBGSBNGWDSH-CIUDSAMLSA-N 472.040 4.909 50 10 JJGE C[C@H](CC(CBr)(CBr)c1ccccc1Br)CS(C)(=O)=O 706454086 BUSRQCLKYBMUKM-LLVKDONJSA-N 491.083 4.548 50 10 JJGE COc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1Cl 725392567 IZXXZGVYDZLLAZ-UHFFFAOYSA-N 492.885 4.864 50 10 JJGE O=C(NNc1ccc(F)c(F)c1F)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl 728716867 GUNMXHFMYGHYBU-UHFFFAOYSA-N 495.910 4.656 50 10 JJGE Cc1nc2ccccc2n1CCCOC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 920793247 FOAMTJIBXUZGSH-XLNRJJMWSA-N 464.529 4.662 50 10 JJGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1cccc2ccccc12 1084291211 VAGRLIOEFYWVHL-LJQANCHMSA-N 470.602 4.860 50 10 JJGE Cc1cc(C=NNC(=O)CC(=O)NCCc2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084416625 RVRKELBISWCRSP-UHFFFAOYSA-N 471.388 4.600 50 10 JJGE CC(=NNC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Br)cc1 1084514072 OJLQEMUZCUJVIK-UHFFFAOYSA-N 465.354 4.600 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)NCCc2ccc(C(F)(F)F)cn2)c(-c2ccc(Cl)cc2)n1 1350858702 FUYFKHBAVVKXIV-SFQUDFHCSA-N 498.896 4.797 50 10 JJGE CC(=O)N1CC[C@H](NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c2ccccc21 1356404785 YCVKHZCQGNZPKA-WALVNQSHSA-N 452.558 4.924 50 10 JJGE C#C[C@H](NC(=O)NNc1ccc(Cl)cc1Br)c1ccc(Br)cc1 1470663108 LBFPQNOJOZYPEA-AWEZNQCLSA-N 457.553 4.866 50 10 JJGE COc1cccc(O[C@@H](C)C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 1772755701 CXHSRMVJYUYJLS-KRWDZBQOSA-N 468.937 4.854 50 10 JJGE CC(C)(C)c1ccc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858684400 WDEFDSJPCYTAMQ-UHFFFAOYSA-N 464.478 4.916 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1cc(Br)ccc1O 1865695996 JMMZWSCICKCNND-HNNXBMFYSA-N 477.240 4.577 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc1OC 1865696369 ZYWDONLAYADNCJ-DEOSSOPVSA-N 495.539 4.568 50 10 JJGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 1865709528 XNBQCAZGIUNQIH-NRFANRHFSA-N 462.937 4.542 50 10 JJGE CSCC[C@H](NC(=O)c1cc(-c2ccc(C)c(C)c2)n(C)n1)C(=O)Nc1ccc(SC#N)cc1 1866829877 PDDTVAAJWUHRGT-NRFANRHFSA-N 493.658 4.767 50 10 JJGE CC[C@](C)(NC(=O)[C@@H](c1ccc(OC)c(OC)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866989831 JAVZXVDDIUMKSB-RDGATRHJSA-N 469.607 4.940 50 10 JJGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccccc1OCc1ccc(C)cc1 1873795123 SKMASMOVNCOUBZ-AUEUWSLNSA-N 471.623 4.671 50 10 JJGE C[C@@H]1CC[C@](CBr)(NC(=O)c2cccc(Br)c2Br)C1 1880900671 RGUJIZNWRSYRGS-OTYXRUKQSA-N 454.000 4.895 50 10 JJGE CC1(C)[C@H](Br)CCCN1C(=O)c1cc(Cl)ccc1I 1887813574 HWXQSOSEDUXJKB-GFCCVEGCSA-N 456.549 4.723 50 10 JJGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(I)c(O)c1 1915075789 JFXKONINPNPJDV-OAHLLOKOSA-N 488.163 4.813 50 10 JJGE CC[C@@H]1CC[C@@H](NCCSSCCNC(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C 1985346920 KBBZJBMZLKYEGQ-IAGOWNOFSA-N 463.710 4.660 50 10 JJGE FC1(F)[C@@H]2COC[C@]21[C@@H](Br)c1cc(Br)c(Br)s1 1998633375 DRWXMVCSSTVTAH-BKPPORCPSA-N 452.940 4.991 50 10 JJGE Fc1ccc(C(F)(F)F)nc1-n1nc(CCl)c(I)c1C(F)(F)F 2078889641 VUZRCRKCGSLNJQ-UHFFFAOYSA-N 473.517 4.787 50 10 JJGE COc1cc([C@H](Cl)c2cc(I)sn2)c(OC)cc1Br 2120033798 VEIYQBMGUJMRID-LBPRGKRZSA-N 474.545 4.856 50 10 JJGE C[C@@H]1C[C@H](C(F)(F)F)N(C[C@H](Br)C(F)(F)F)CCN1C(=O)OC(C)(C)C 2121770321 GTTYHNANVXCCDK-OUAUKWLOSA-N 457.253 4.574 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](Br)CC12CC2 2142288140 QNTASAOVRIFALY-SNVBAGLBSA-N 498.984 4.586 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@@H]2C[C@H](Br)CC[C@H]21 2143979293 WJIOHILMAIKIKJ-GPCCPHFNSA-N 466.011 4.990 50 10 JJGE O=C(c1sccc1I)N1CCC[C@@]2(CBr)CCCC[C@H]12 2165295098 XDKNAOPCCFYCDD-SWLSCSKDSA-N 468.198 4.913 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@@H]2CCC[C@H](C1)C2Br 2167781033 FEBBQGAXKRYDCS-XFLKPENQSA-N 466.011 4.847 50 10 JJGE O=C(NCC1CC2(CC[C@H]2Cl)C1)c1cc(Br)ccc1I 2195349146 BWDZTEMYQGSIJQ-KWCGZIOASA-N 468.560 4.581 50 10 JJGE C[C@H](CBr)[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(I)c1 2283665624 WOMIJAVLBGHYGR-YGRLFVJLSA-N 470.576 4.970 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cc(Br)c(O)c(OC)c2)sc(C)c1C 2297382488 GZWZVJKVOXYXIT-UHFFFAOYSA-N 479.352 4.564 50 10 JJGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OCc4ccccc4)c(OC)c3)nc2c1 2331046307 AWVLZPCOPFYKCI-UHFFFAOYSA-N 467.481 4.774 50 10 JJGE COC[C@@H](C)OC[C@H](Br)CCc1ccc(Cl)c(I)c1 2337219452 SPBHEUZJDKWZQP-ZYHUDNBSSA-N 461.565 4.692 50 10 JJGE C=CC[C@](C)(CBr)CNC(=O)c1ccc(Cl)cc1I 2340056876 HCGZNGFRGWWQJH-CQSZACIVSA-N 456.549 4.652 50 10 JJGE C[C@@H]1[C@@H](Cl)CCN(C(=O)c2ccc(I)c(Br)c2)[C@@H]1C 2344520844 PVRCFCVTELRDIV-SBMIAAHKSA-N 456.549 4.532 50 10 JJGE CC(C)[C@@H](Br)c1cn(Cc2cc(I)ccc2Cl)nn1 2352371266 XZUSYBXZRVYZOX-CYBMUJFWSA-N 454.537 4.676 50 10 JJGE FC(F)(F)[C@H]1CN(Cc2ccc(I)c(Br)c2)C[C@@H]1CCl 2377329562 AMXGLXLYZCVYIK-UWVGGRQHSA-N 482.509 4.903 50 10 JJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cccc(OCCc2ccccc2)c1 10331310 BCGLQPMQGMEGQN-INIZCTEOSA-N 473.356 4.843 50 10 JJGE CCCCOc1ccc(C(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1Br 14041232 JWIFMZUIUGOPGU-UHFFFAOYSA-N 483.790 4.738 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@@H]1c1cccc(F)c1 38677816 ZHVBNYJTQOGOTJ-QHCPKHFHSA-N 495.304 4.791 50 10 JJGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 39858581 ZBTNHEFNHNROLP-CYVLTUHYSA-N 466.497 4.658 50 10 JJGE N#C/C(=C/c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)C(=O)Nc1ccc(Cl)cc1 39858687 ZTWZOWYGDLNDPK-SQFISAMPSA-N 460.852 4.825 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(F)cc2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40649388 KARDEHPFJIFWJW-UHFFFAOYSA-N 458.453 4.543 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CSc2ccc(Cl)cc2)c(OC)c1 40994404 PBKKMCWHNHBEDV-SFQUDFHCSA-N 458.967 4.870 50 10 JJGE CCCOc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(CCC)C(=O)CCl)cc1OC 97914804 UKEFYJDBHFASCY-MCSCQSGASA-N 453.023 4.697 50 10 JJGE CCCCN(CCBr)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 147238104 QCKINYAYHKAEGD-UHFFFAOYSA-N 468.038 4.942 50 10 JJGE O=S1(=O)CCCC[C@@H]1[C@@H](Br)c1cc(Br)c(Br)s1 169100385 XTAHZXCBUVUCAZ-BDAKNGLRSA-N 467.042 4.676 50 10 JJGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N(CCBr)C1CCC1 228566713 POBHZGADPOFATK-UHFFFAOYSA-N 466.022 4.694 50 10 JJGE CCN(C[C@](C)(CI)OC[C@@H]1C[C@H]2CCCC[C@H]2O1)C(=O)OC(C)(C)C 379016902 AIAMXXZVSOQPDB-YZLZLFLDSA-N 481.415 4.801 50 10 JJGE C[C@@H](Br)[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1I 688775303 CQGDJRGEBVSDMC-RNCFNFMXSA-N 456.549 4.723 50 10 JJGE Fc1cc2c(cc1I)nc(CCCl)n2C[C@@H]1CCN1Cc1ccccc1 716224734 BDSKVJMBUOWWKG-HNNXBMFYSA-N 483.756 4.836 50 10 JJGE C[C@@H](CCCBr)CNC(=O)c1ccc(I)c(Br)c1 721576741 IDPOXPKWBJUMDW-VIFPVBQESA-N 488.989 4.595 50 10 JJGE O=[N+]([O-])c1ccc(-n2nc(-c3ccc(I)cc3)cc2CCl)c([N+](=O)[O-])c1 725436898 DTNCKCADRVJCOB-UHFFFAOYSA-N 484.637 4.699 50 10 JJGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 1084017588 QLPNOQGYGVLFKE-RUZDIDTESA-N 456.502 4.562 50 10 JJGE O=C(NN=Cc1cc(Cl)ccc1O)c1cccc(NC(=O)c2ccccc2Br)c1 1084045665 RIUJZHCPNJVZHE-UHFFFAOYSA-N 472.726 4.824 50 10 JJGE O=C(NN=C1c2ccc(F)cc2C[C@H]1N1Cc2ccccc2C1=O)Nc1ccc(OC(F)(F)F)cc1 1088691853 AGSXBJSWCJWXJA-OAQYLSRUSA-N 498.436 4.831 50 10 JJGE CC(=O)c1cc(C(=O)NNc2nnc(-c3ccccc3)n2-c2ccccc2)ccc1OC(C)C 1464837352 OQYUEFGWZIORRG-UHFFFAOYSA-N 455.518 4.681 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682186 IHZZUMVOESPUKA-RUZDIDTESA-N 494.551 4.848 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865684243 OHYVJKGWBZYAKY-QHCPKHFHSA-N 480.524 4.539 50 10 JJGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)c1 1865692188 BUZZIRLIXJMWLX-OAQYLSRUSA-N 465.351 4.950 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1OC 1865694934 FYQQRHURLMMUDT-GOSISDBHSA-N 456.424 4.517 50 10 JJGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865704391 UUHOOKTXTJYRRI-QHCPKHFHSA-N 478.508 4.773 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 1865709151 PFWIRHDGPOCMNS-OAQYLSRUSA-N 480.927 4.681 50 10 JJGE Cc1ccc(S(=O)(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 1872745548 SFKALEVNZFLJMJ-LNVKXUELSA-N 465.600 4.769 50 10 JJGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)N2C(=O)c3ccccc3C2=O)n1 1872754869 MSHFIDMIVZWMGH-AYAKEVCGSA-N 459.527 4.913 50 10 JJGE CCNCc1cc(Br)cc(Br)c1OC[C@H]1C[C@H](Br)C1 1887833158 OKDNXAPCMXBJCV-HOMQSWHASA-N 456.016 4.873 50 10 JJGE CC[C@@]1(C)[C@@H](NCCSSCCNC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 1900190808 NATWJQJXNYEPSF-KKSFZXQISA-N 463.710 4.660 50 10 JJGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1CC(C)(C)CI 1904654330 WJOBUGCDSFCRBD-RBUKOAKNSA-N 472.411 4.959 50 10 JJGE CCN(C[C@](C)(CI)OC[C@H]1C[C@H]2CC[C@H]1C2)C(=O)OC(C)(C)C 1997929796 NFEVNHYTUYNMFZ-GGXPGOJBSA-N 451.389 4.890 50 10 JJGE C[C@H]1CN(C(=O)c2cc(Br)cc(Br)c2)CC[C@@H]1CBr 2109034934 VMPVBNXAGHPSBO-VHSXEESVSA-N 454.000 4.705 50 10 JJGE CC(C)(C)OC(=O)Nc1ccc([S@](C)(=O)=NC(=O)[C@H](Br)C2CCCC2)cc1 2167034371 WONXZBWLQIQNPB-JWIGPWBQSA-N 459.406 4.971 50 10 JJGE FC1(F)CC[C@@H]2[C@H]([C@H](Br)c3cc(I)cc4c3OCC4)[C@@H]21 2170831807 RPKAHJVBVZZZQY-GWNIPJSYSA-N 455.080 4.953 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@H](Br)C(F)(F)F)C[C@H]1c1ccccc1 2185529659 OVJCDFBBDHMUMU-PMPSAXMXSA-N 451.327 4.553 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCc2ccc(C(F)(F)F)cc2)C1 2223304881 WIXWTSRRGZGMGU-ZIAGYGMSSA-N 471.257 4.645 50 10 JJGE Cc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2CCBr)cc1I 2232832636 FDRAVTLPPIJULN-WFASDCNBSA-N 450.158 4.625 50 10 JJGE Cc1ccc(I)c(C(=O)NC[C@H]2CCCC[C@@H]2CBr)c1 2240914622 PJRUMURKCHVASL-CHWSQXEVSA-N 450.158 4.531 50 10 JJGE CCN(C[C@](C)(CI)OCC1CC2(CC(F)C2)C1)C(=O)OC(C)(C)C 2260124170 QNJMOOHGMXCESL-XHVMPKOQSA-N 469.379 4.982 50 10 JJGE C[C@H]1CC[C@H](CBr)N(C(=O)c2ccc(Cl)c(I)c2)C1 2268340228 KWJYUWSWXAQRQD-GXSJLCMTSA-N 456.549 4.580 50 10 JJGE C[C@]1(NC(=O)Cc2cc(Br)cc(Br)c2)CCC[C@H]1Br 2277915990 DWBMYXXZAQNZCU-OCCSQVGLSA-N 454.000 4.576 50 10 JJGE CN(C)c1ccc(C=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2295266411 XHGFQOUMBOLWQS-UHFFFAOYSA-N 450.586 4.593 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCOC)c(C)c1 2296706038 ONMGQHGURYTLFL-UHFFFAOYSA-N 458.562 4.696 50 10 JJGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 2314611710 ZGUYIVNJLRYVMD-UHFFFAOYSA-N 481.512 4.696 50 10 JJGE COC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(C(C)C)c(C)c2)c(OC)c1 2314808155 GPKYZXXOKMJMAQ-UHFFFAOYSA-N 451.519 4.972 50 10 JJGE Brc1cc(CN2C[C@@H]3CC[C@H](Br)[C@H]3C2)ccc1I 2325208358 VQWNMVIAJCTJIF-SRVKXCTJSA-N 485.001 4.659 50 10 JJGE FC1(F)C[C@H](CCl)N(Cc2ccc(I)c(Br)c2)C1 2325212867 HVDGYZYHMZFAHU-SECBINFHSA-N 450.492 4.502 50 10 JJGE Cc1ccc(COc2cccc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c2)cc1 2328822761 QSGOALXMJIWQDG-QHCPKHFHSA-N 453.583 4.964 50 10 JJGE CC(C)[C@@H]1C[C@H](Br)CN1C(=O)c1c(Br)cccc1Br 2344617029 WLCJALBIGYBARJ-CABZTGNLSA-N 454.000 4.846 50 10 JJGE O=C(NCC(F)(F)C(F)(F)CBr)c1c(Br)cccc1Br 2361671869 YPIVVYXWDRNFJU-UHFFFAOYSA-N 485.895 4.607 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CC[C@H](Br)CC12CCC2 2365580965 AKCKKPSQMUWFSD-JTQLQIEISA-N 468.560 4.867 50 10 JJGE O=C(Nc1cc(F)c(F)cc1I)c1ccc(CBr)cc1 2379832897 MWWJZVXPEBBWNN-UHFFFAOYSA-N 452.036 4.717 50 10 JJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1 38650651 XXNLSUZROVKVJL-HHHXNRCGSA-N 486.524 4.687 50 10 JJGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 38654964 RBVGABCEGIIDAU-AREMUKBSSA-N 485.496 4.921 50 10 JJGE COc1cccc(C(=O)N/N=C/c2ccc(SCC(=O)Nc3ccc4ccccc4c3)o2)c1 59392308 RCGADKYNUXPZJQ-CVKSISIWSA-N 459.527 4.936 50 10 JJGE CN(C)c1ccc(/C=N/NC(=O)c2ccccc2OCc2cccc(Br)c2)cc1 96095894 FZPXXOZXGCVQAN-MFKUBSTISA-N 452.352 4.858 50 10 JJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3cccc(Cl)c3Cl)C2=O)cc1OC 101233080 RQZQFFMPHAJICK-GHRIWEEISA-N 486.355 4.758 50 10 JJGE COC(=O)c1sc(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(C(=O)OC)c1C 102598545 YQHNQDRYLXJRCT-UKTHLTGXSA-N 484.515 4.638 50 10 JJGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccccc2OCCC)c(OC)c1 207161023 HCMOSDDYJDOGRM-UNLGXJDRSA-N 462.546 4.926 50 10 JJGE Cc1ccc(CNC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)cc1 210034893 XHHIVRCRZGPOPX-HAHDFKILSA-N 476.536 4.842 50 10 JJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(F)cc3)cc2OC)cc1 254396250 MEZGGDXKTACOGN-UHFFFAOYSA-N 464.493 4.996 50 10 JJGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=C/C=C/c1ccco1 254697055 JSQKDJUYJMRPCT-UIYWEYRBSA-N 490.610 4.827 50 10 JJGE O=C1OC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]4Sc5[nH]c(=S)sc5[C@H](c5cccc(Br)c5)[C@H]43)[C@H]12 256027616 YMHCYOGCTFCMAD-SGGWTVLCSA-N 480.430 4.756 50 10 JJGE CC[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C[C@H]1Br 399882020 UEXUKMZFXSNPJL-IONNQARKSA-N 466.022 4.550 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@@]1(C)CBr 694662544 APGUKEYDZUFIGX-JMCQJSRRSA-N 460.029 4.766 50 10 JJGE C[C@@H](CBr)[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 696801678 BFZQIMGAGWNMEQ-WPRPVWTQSA-N 465.660 4.738 50 10 JJGE CCCOc1c(Br)cc(Br)cc1C=NNC(=O)Cn1cnc2ccccc21 916273688 AVEXFXJWRLMMOO-UHFFFAOYSA-N 494.187 4.500 50 10 JJGE O=C(NN=Cc1cc(Cl)cc([N+](=O)[O-])c1O)c1ccc(NC(=O)c2ccccc2Cl)cc1 1082753723 CYNNFGCOMJHRLJ-UHFFFAOYSA-N 473.272 4.623 50 10 JJGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=C/C=C\c1ccccc1 1084358147 LGJWXVFVZHPQJI-QDTVZSAOSA-N 467.598 4.960 50 10 JJGE CCc1ccc(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858685118 GNZBQUDJLULASN-CQSZACIVSA-N 468.441 4.708 50 10 JJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865713335 WSIRMWRTEKXGQJ-XMMPIXPASA-N 480.524 4.783 50 10 JJGE CCn1ncc(Br)c1C(=O)N(Cc1ccccc1)[C@H](CBr)C(C)C 1915294390 YDNPUADZPWXYDK-MRXNPFEDSA-N 457.210 4.727 50 10 JJGE O=C(NN(Cc1ccccc1)Cc1ccccc1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 1923813659 ZCNNOZIZIUZFAE-UHFFFAOYSA-N 475.548 4.830 50 10 JJGE O=C(c1csc(Br)c1Br)N1CCC(CI)CC1 1949202953 YWBYYEBRNFSBNU-UHFFFAOYSA-N 493.002 4.560 50 10 JJGE O=C(Nc1ccc(I)c(Br)c1)[C@H](Br)C1CCCC1 2048120475 MOCYQUGCVDRSBO-GFCCVEGCSA-N 486.973 4.946 50 10 JJGE Fc1cccc(Cn2nc(CBr)c(I)c2C(F)(F)F)c1F 2079241996 SSXYDQLGZYTIGC-UHFFFAOYSA-N 481.000 4.728 50 10 JJGE C[C@H]1CC[C@@H](CBr)CN1C(=O)c1c(Br)cccc1Br 2094095404 LTZIBMYRZKTJRP-UWVGGRQHSA-N 454.000 4.847 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@H](Br)C2(CC2)C1 2094100941 XUWGEYYGHREZSJ-NSHDSACASA-N 451.984 4.601 50 10 JJGE CC1(C)C[C@H](CCl)N(C(=O)c2ccc(I)c(Br)c2)C1 2094756410 KOXTWXXHCHOGQE-SNVBAGLBSA-N 456.549 4.533 50 10 JJGE C[C@H]1C[C@@H](Br)CCN(C(=O)c2ccc(Br)cc2Br)C1 2103287653 QCOHGAIHSIZTIR-ONGXEEELSA-N 454.000 4.847 50 10 JJGE C[C@H](CCCCCCl)NC(=O)c1cc(I)ccc1Br 2117894901 NSDQPXSZFRZFEF-SNVBAGLBSA-N 458.565 4.971 50 10 JJGE COc1cc(Cl)c([C@H](Br)c2cc(I)sn2)cc1OC 2120030160 BFBBAVSIJNCBQQ-LBPRGKRZSA-N 474.545 4.903 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CCC(F)(F)[C@H](CBr)C1 2150492592 BRCXBZIJRBWMQX-MRVPVSSYSA-N 475.953 4.704 50 10 JJGE O=S(=O)(c1cc(F)c(Cl)c(CBr)c1)N(Cc1ccccc1)C[C@@H]1CCCO1 2179861050 BEQNHYXRYODGGW-INIZCTEOSA-N 476.795 4.744 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC2(CCC(Br)CC2)C1 2181086336 KQIOWDHNRWEXFP-UHFFFAOYSA-N 466.011 4.991 50 10 JJGE O=C(NC[C@]1(CCl)C[C@H]1C(F)(F)F)c1cc(Br)sc1Br 2192571745 DXUYFONZRWUBOP-LHLIQPBNSA-N 455.521 4.810 50 10 JJGE Cc1cc(C(=O)N2CCCC[C@H]2C[C@H](C)Br)ccc1I 2207107865 TUMHLGBMMIGOIR-JSGCOSHPSA-N 450.158 4.768 50 10 JJGE COCCOC[C@@H](Cl)Cc1sc(Br)c(Br)c1Br 2216422422 VSLAKTAXQLFCJW-LURJTMIESA-N 471.436 4.849 50 10 JJGE COc1ccc([C@@H](Br)c2c(Br)c(C)nn2C)cc1I 2269539366 DSOWIOGTWZTPIZ-GFCCVEGCSA-N 499.972 4.589 50 10 JJGE CC[C@H](C[C@H](C)Br)NC(=O)Cc1cc(Br)cc(Br)c1 2277935572 PXOGTPFYMQAPQJ-TVQRCGJNSA-N 456.016 4.822 50 10 JJGE C[C@@H]1C[C@@H](C(F)(F)F)N(CC2(CBr)CC(F)C2)CCN1C(=O)OC(C)(C)C 2280360110 REMFIWYSWDDOFO-ZBUZPQQSSA-N 461.338 4.762 50 10 JJGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C)cc3)nc3ccccn3c2=O)cc1 2296544448 HGAWZFAIPSGSEV-UHFFFAOYSA-N 466.497 4.740 50 10 JJGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O 2314720463 PYGSGJLDVTXAQJ-SANMLTNESA-N 480.520 4.986 50 10 JJGE CN(Cc1ccc(Cl)cc1I)[C@@H](CCBr)C(F)F 2318541091 SCKYHKVDVTZIFL-NSHDSACASA-N 452.508 4.795 50 10 JJGE CCN(C[C@](C)(CI)OC[C@@H]1C[C@H]2[C@@H](C1)C2(F)F)C(=O)OC(C)(C)C 2320757114 LNRPMAJCNXRGJP-LOUJCGABSA-N 473.342 4.745 50 10 JJGE CN(Cc1cc(I)ccc1Cl)[C@@H](CCBr)C(F)F 2327407961 XPLXPNAGESONSK-NSHDSACASA-N 452.508 4.795 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(NC(C)=O)cc3)n2)c(OC)c1OC 2331411903 PASAADNBGLLTPO-UHFFFAOYSA-N 465.531 4.830 50 10 JJGE C[C@@H]1[C@@H](Cl)CCN(C(=O)c2cc(I)ccc2Br)[C@@H]1C 2344518917 BLWPTUJUVASFQD-RWEMILLDSA-N 456.549 4.532 50 10 JJGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3c(Br)ncn3C)c2O1 2362433639 YTTIATPQEHSJMX-WRWORJQWSA-N 464.983 4.753 50 10 JJGE O=C(c1cc(Br)ccc1I)N1C[C@H]2CC(Cl)C[C@@H](C2)C1 2364155293 AYOXYLUFKMJMEH-NXEZZACHSA-N 468.560 4.533 50 10 JJGE COC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)c(OC)c1 1775816 CEROJWLJXBYNAP-GDNBJRDFSA-N 464.301 4.847 50 10 JJGE COc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1CN1CCc2cc(OC)c(OC)cc2[C@H]1C 2946232 IRUJTAWPTOLDKN-AASYHSMQSA-N 491.563 4.735 50 10 JJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2C)cc1Br 14641114 RJLZVSNRNJOHKJ-UHFFFAOYSA-N 492.439 4.666 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)c1OC 38658857 BRBLAWMVYHBUNE-RUZDIDTESA-N 486.524 4.523 50 10 JJGE O=C(CCCSc1nc2ccccc2s1)N/N=C/c1cc(Br)ccc1O 59519458 ZEKNUEIQIZVONT-RGVLZGJSSA-N 450.383 4.787 50 10 JJGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)CCC(=O)Nc2ccccc2Cl)c1 66201431 UYIMULPOQGNEMD-UHFFFAOYSA-N 474.001 4.708 50 10 JJGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NC2CCCCC2)c(C)c1 102851262 MQQXTEVZIAHEAR-HKWRFOASSA-N 456.546 4.768 50 10 JJGE CC[C@@](C)(CCBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 228586940 WIVZBIVWVZLIHU-LBPRGKRZSA-N 468.038 4.988 50 10 JJGE COc1ccc(-n2c(SCC(=O)NN=C/C=C\c3ccccc3)nnc2-c2ccccc2)cc1 254592044 IAFMVVPMGHLZKS-MPUZODINSA-N 469.570 4.850 50 10 JJGE COc1ccc(C=NNC(=O)CNc2ccc3ccccc3c2)cc1OCc1ccc([N+](=O)[O-])cc1 254595153 WINVIRNPJMKTPX-UHFFFAOYSA-N 484.512 4.898 50 10 JJGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@H](Cl)CC[C@H]2C1 398803420 SABQCAHLIPROKQ-HOSYDEDBSA-N 468.560 4.533 50 10 JJGE CC(C)(C)OC(=O)NCCN1CCN[C@H](c2ccc(CCO[Si](C)(C)C(C)(C)C)cc2)C1 616634115 LUVCJKACGOFDJI-QFIPXVFZSA-N 463.739 4.722 50 10 JJGE COc1ccc(C(=O)NN=Cc2c(Br)c(C)n(-c3ccc(C)cc3)c2C)cc1OC 725395836 NCKXZQQPXCYTBG-UHFFFAOYSA-N 470.367 4.946 50 10 JJGE CC[C@@H]1CCCCN1C(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 782092112 CAYSJQCIEZJDBF-WSGMWJAYSA-N 493.995 4.747 50 10 JJGE COc1ccc(C)cc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 1083923926 SOEITVAVWPQECG-UHFFFAOYSA-N 473.360 4.807 50 10 JJGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NN=Cc1ccc(Cl)cc1Cl 1084047332 GAIPUJKNHZWHAK-UHFFFAOYSA-N 483.384 4.879 50 10 JJGE C[C@H](Sc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(OCC(=O)NCc2ccccc2)cc1 1084136695 COLBXCLVRIDJBL-SFHVURJKSA-N 482.005 4.666 50 10 JJGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1OC(=O)c1ccccc1 1084424285 BHOIHIUGHGEFFR-UHFFFAOYSA-N 497.507 4.914 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2cc([N+](=O)[O-])ccc2Cl)C1 1614701728 NPIJHVSQVWPMLW-ZWNOBZJWSA-N 466.703 4.634 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)cc1O 1865681352 LABSFNDBBPXAEB-NRFANRHFSA-N 456.889 4.822 50 10 JJGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CCC)cc1OC 1865692327 LIDKGVCTJINTKT-GOSISDBHSA-N 475.387 4.634 50 10 JJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865709593 DFFVFSRSPFZMIO-QHCPKHFHSA-N 495.495 4.683 50 10 JJGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711452 YYNDJFUVXKTLOU-HSZRJFAPSA-N 494.979 4.781 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1C[C@@H](CBr)C2(CCC2)C1 1914491930 KVYDFGBMVQHBLU-SNVBAGLBSA-N 468.560 4.582 50 10 JJGE O=C(NC[C@]1(F)C[C@H](CBr)C1)c1cc(Br)sc1Br 2049526458 QXYHRCAMMXCSJW-MHWOZMEASA-N 463.992 4.516 50 10 JJGE C[C@H](Br)[C@@H](NC(=O)c1scc(Br)c1Br)C(F)(F)F 2074718034 XHPPTEAKLNWBAI-CLTAVNFZSA-N 473.934 4.717 50 10 JJGE CC[C@H](C)[C@H](CI)NC(=O)c1cc(Cl)ccc1I 2081239268 PXYDPSQWODZYKG-UFBFGSQYSA-N 491.538 4.524 50 10 JJGE Cc1cc(Br)c(C(=O)N2CCC(CI)CC2)cc1Cl 2098614907 OFPVUYRJTJVPTI-UHFFFAOYSA-N 456.549 4.698 50 10 JJGE C[C@@]1(CBr)CC(F)(F)CN1Cc1cc(Cl)ccc1I 2102803657 JYZXOSCZBUQQCN-LBPRGKRZSA-N 464.519 4.939 50 10 JJGE O=C(N[C@@H](CCl)c1ccsc1)c1ccc(Br)cc1I 2142293057 ZSFCYVVSOINNAF-LBPRGKRZSA-N 470.557 4.825 50 10 JJGE Cc1cccc(C(CBr)(CBr)Cc2nn(C)cc2Br)c1 2143633100 GFXPHNLQHUPLRH-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE C[C@@H]1CN(c2ncc(C(F)(F)F)cc2I)[C@H](C)C[C@@H]1Br 2149531794 PYJGJWIUGNANFY-MRTMQBJTSA-N 463.079 4.703 50 10 JJGE Cc1nn(C)c(Br)c1CN(C)c1cccc(Br)c1CBr 2185788945 ZHUSWHWBXADLNH-UHFFFAOYSA-N 466.015 4.785 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Br)C2 2190680613 XGIUGEIBIOOSQO-OQCKYNKVSA-N 469.974 4.690 50 10 JJGE C=CCC[C@H](CBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 2196141960 NVWRWDVCFZHBKK-SNVBAGLBSA-N 490.055 4.528 50 10 JJGE O=S(=O)(Nc1ccc(Br)cc1I)c1cccc(CCl)c1 2240001121 WZZAONUZYPTDNO-UHFFFAOYSA-N 486.556 4.593 50 10 JJGE ClCCc1nc2cccnc2n1-c1ccc(Br)cc1I 2240013530 WZXKLTWMYFGOPF-UHFFFAOYSA-N 462.516 4.569 50 10 JJGE Cc1ccc(I)c(C(=O)N[C@H]2CCCC[C@@H]2CCBr)c1 2240902380 ZIRUOUJPMPSNTJ-DOMZBBRYSA-N 450.158 4.673 50 10 JJGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2241637084 IYHBIRAUOANMCI-CALCHBBNSA-N 485.422 4.936 50 10 JJGE CC1(C)C[C@@H](CBr)N(C(=O)c2ccc(Cl)c(I)c2)C1 2268348009 VRCIDDVLLAWGIZ-JTQLQIEISA-N 456.549 4.580 50 10 JJGE COc1ccc(-n2c(SCC(=O)NN=CC=Cc3ccco3)nnc2-c2ccc(C)cc2)cc1 2293713037 HJUDQPVKPSRLOT-UHFFFAOYSA-N 473.558 4.752 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2C[C@@H](Br)C[C@H]1C2 2295316868 DXLKEQKYMLJRAI-ZLKJLUDKSA-N 466.011 4.529 50 10 JJGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)cc1 2296542813 VYSILVJBYCIRHG-UHFFFAOYSA-N 466.497 4.658 50 10 JJGE BrCC[C@@H](NCc1ccc(I)c(Br)c1)C1CC1 2306220975 BRAFDWXVFGVRCM-CYBMUJFWSA-N 472.990 4.707 50 10 JJGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1 2314618160 IIKKUWDEYYVYBL-NRFANRHFSA-N 462.933 4.690 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)c1OC 2314634523 DTQIATICIVTHID-AREMUKBSSA-N 468.509 4.849 50 10 JJGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NN=Cc1ccccc1OCc1ccccc1 2328827632 KAZGJERWPJRSGP-DEOSSOPVSA-N 473.573 4.852 50 10 JJGE Clc1ccc(I)cc1CN1C[C@@H]2CCC[C@@]2(CBr)C1 2352410181 MJEDRENAUVDQEH-SWLSCSKDSA-N 454.577 4.942 50 10 JJGE O=C(NC1(CCBr)CCSCC1)c1ccc(Cl)cc1I 2365593746 VYUKDJQCHDVICA-UHFFFAOYSA-N 488.616 4.725 50 10 JJGE CN(Cc1c(Br)c(Br)nn1C)C[C@](C)(CBr)C(C)(C)C 2380163585 GGTRITIENXPMSU-AWEZNQCLSA-N 474.079 4.824 50 10 JJGE O=C(NNC(=O)c1cccc(OCCc2ccccc2)c1)c1ccc(NC(=O)c2ccccc2)cc1 10331671 FIHKYZDWLSJUKS-UHFFFAOYSA-N 479.536 4.635 50 10 JJGE C[C@@H](C(=O)Oc1ccc(/C=C(/C#N)c2ccc(Cl)cc2)cc1)N1C(=O)c2ccccc2C1=O 31901333 QHCVYVSGNGARPG-UYPHOHSBSA-N 456.885 4.994 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@@H]1c1ccccc1Br 38678963 PXDYFXGJSZRGNR-QHCPKHFHSA-N 461.315 4.815 50 10 JJGE O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1cccc2ccccc12 48572086 YHUWVJIMMNKZSU-RDRPBHBLSA-N 459.509 4.781 50 10 JJGE COc1cc(Cl)c(Cl)c(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1O 95545899 SBBIVNYDBZVDBN-KBKYJPHKSA-N 476.291 4.863 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccccc3OCC)cc2OC)cc1 254737976 BGRJAMZYSMEDGR-UHFFFAOYSA-N 476.529 4.866 50 10 JJGE Cc1ccc(-n2c(-c3ccccc3)cc(C=NNC(=O)CN3CCOCC3)c2-c2ccccc2)cc1 254756986 QSJOASCCRABSFY-UHFFFAOYSA-N 478.596 4.902 50 10 JJGE BrCc1c(Br)cccc1N1CC[C@H](N2CCN(Cc3ccccc3)CC2)C1 394806308 QBVVNWXSGMIJOM-IBGZPJMESA-N 493.287 4.741 50 10 JJGE C[C@@H](Br)[C@H]1CCCN(C(=O)c2ccc(Br)cc2Br)C1 689041989 CJJVQOYPKJDLSE-ZJUUUORDSA-N 454.000 4.847 50 10 JJGE C[C@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@]1(C)CBr 694700389 NFSXJVSSEDXUNG-XPTSAGLGSA-N 454.000 4.705 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2ccc(OC3CCCC3)nc2)c(-c2ccccc2)n1 726948599 DXDKJGJLPAQPQO-HMMYKYKNSA-N 452.518 4.726 50 10 JJGE C[C@@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(=O)N1CCc2ccccc21 782092543 HHIWDTYBGKOOAJ-AFDUHFSSSA-N 499.958 4.545 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)NC2CCN(Cc3ccccc3)CC2)c(-c2ccc(Cl)cc2)n1 899869664 HJCOEIAVEBHUDS-HAVVHWLPSA-N 499.018 4.805 50 10 JJGE C=CCc1cc(/C=C(\C#N)C(=O)N(C)C)ccc1OCc1ccc(I)cc1 1084275414 RQQCBKKKXPDWDH-CPNJWEJPSA-N 472.326 4.594 50 10 JJGE O=C(CSCc1ccccc1Cl)NN=Cc1cc(Br)cc(Br)c1O 1084375864 YENRQCIPMLRFIJ-UHFFFAOYSA-N 492.620 4.954 50 10 JJGE C#CCOc1ccc(C=NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 1084498053 DSVNAUJKKHDYRB-LBPRGKRZSA-N 470.150 4.686 50 10 JJGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1c(O)ccc2ccccc12 1084636098 PMZUPUZUQIOQEI-SFHVURJKSA-N 486.601 4.566 50 10 JJGE C#Cc1cccc(NC(=S)NNC(=O)c2ccccc2CSc2nc3ccccc3o2)c1 1176934040 ZRJRMRLRMSHZHY-UHFFFAOYSA-N 458.568 4.733 50 10 JJGE CC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1C 1675479487 NOKONLIWDXEKLX-UHFFFAOYSA-N 451.910 4.897 50 10 JJGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2F)CCC3)cc1 1772744618 YQZFGAOLNDMDGX-UHFFFAOYSA-N 477.492 4.627 50 10 JJGE COc1cc(C(=O)NNc2ccc(OCCOc3cccc(Cl)c3)cc2)cc(OC)c1OC 1858080599 IMYVKYGIHQHCCG-UHFFFAOYSA-N 472.925 4.581 50 10 JJGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701921 IFLTYKOTOQAKIT-LJQANCHMSA-N 471.305 4.753 50 10 JJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865711380 WSYKKJREGWTCOG-HSZRJFAPSA-N 468.488 4.914 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1 1866938040 FTLHDQHZRVUQGL-VXNXHJTFSA-N 459.546 4.869 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C/c3cc4c(cc3[N+](=O)[O-])OCCO4)n2)cc1OC 1872781576 KABHMXBCXYTAFH-VIZOYTHASA-N 451.460 4.571 50 10 JJGE ClCc1nc2cc(I)ccc2n1Cc1ccc(Br)cn1 1927119416 MAAGEANSLAMPRX-UHFFFAOYSA-N 462.516 4.586 50 10 JJGE CC(C)[C@H](Br)CCNC(=O)c1ccc(I)c(Br)c1 2029928986 WRMYNZSVNKNOHD-SNVBAGLBSA-N 488.989 4.593 50 10 JJGE C[C@@H]1C[C@@H](Br)CCN(C(=O)c2csc(Br)c2Br)C1 2041566361 JUBFYRIZICVDPP-SFYZADRCSA-N 460.029 4.909 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@@H]2CC[C@H](C1)C2Br 2048827744 YVJATPRIDIUFFE-AVSFMBPQSA-N 458.013 4.519 50 10 JJGE C[C@H](NC(=O)c1scc(Br)c1Br)[C@@H]1CCC[C@H]1Br 2048884723 GWUIBBKVTWMNPZ-BIIVOSGPSA-N 460.029 4.955 50 10 JJGE O=C(NCC1(F)CC(CBr)C1)c1scc(Br)c1Br 2049520672 UJERWWJAYVAZIT-UHFFFAOYSA-N 463.992 4.516 50 10 JJGE C[C@@H]1CN(C(=O)c2c(Br)cccc2Br)[C@H](C)C[C@@H]1Br 2094100666 UNRTXMUARBRCDU-LNLATYFQSA-N 454.000 4.846 50 10 JJGE CC(C)(C)OC(=O)N1CC[C@@H]([S@](C)(=O)=NCC2(CBr)CCCCCC2)C1 2106786754 VXBOOBDOGNEHQS-DXPJPUQTSA-N 451.471 4.829 50 10 JJGE Cc1nn(C)cc1CC(CBr)(CBr)c1ccccc1Br 2143442549 ZNNVOILGCSTFQJ-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE O=S(=O)(NC[C@@H]1CCCC[C@H](Br)C1)c1cc(Cl)c(Br)s1 2163743922 SIEREFNAFHKSTR-BDAKNGLRSA-N 465.660 4.786 50 10 JJGE CN(C(=O)c1cc(Br)ccc1I)C1(CCl)CC(C)(C)C1 2164568868 WDZFZYVJDPAXOA-UHFFFAOYSA-N 470.576 4.923 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N[C@@]2(C)CCC[C@H]2Br)cc1Br 2182703410 APZWKYWIXLNTFU-OLZOCXBDSA-N 490.055 4.504 50 10 JJGE C[C@@H](c1cscc1Br)N(C)S(=O)(=O)c1cc(CBr)cs1 2186582081 UGSDVLUUBWNWEI-QMMMGPOBSA-N 459.250 4.849 50 10 JJGE O=S1(=O)CCC([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)CC1 2201612985 GTVUPLBESXHTCQ-SNVBAGLBSA-N 452.542 4.642 50 10 JJGE CC(C)(C)OC(=O)NCC[C@H](N(CC1(CBr)CC(F)C1)C1CC1)C(F)(F)F 2280360273 SYDHEBWMAAEFES-TVIZTDCDSA-N 461.338 4.810 50 10 JJGE Cc1ccc(C(=O)N(C[C@@H](C)Br)CC(C)(C)C)cc1I 2288054895 ZCDSDUOQPNUEIT-GFCCVEGCSA-N 452.174 4.871 50 10 JJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@@H]2CCCO2)cc1Cl 2293034923 SQSDSMOXINJCJW-QFIPXVFZSA-N 476.964 4.794 50 10 JJGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=CC=Cc1ccco1 2297509646 JSQKDJUYJMRPCT-UHFFFAOYSA-N 490.610 4.827 50 10 JJGE CC(CC(=O)Nc1ccc(Cl)c(Cl)c1)=NNC(=O)C(=O)Nc1cccc2ccccc12 2297635585 UYVAEJBJGIDKLF-UHFFFAOYSA-N 457.317 4.606 50 10 JJGE CCOc1cc(C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 2314618021 FZYRXCMFLOPIOU-UHFFFAOYSA-N 468.594 4.918 50 10 JJGE COc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccccc3)cc2OC)cc1 2314737163 POZVGZKLUGXRMP-UHFFFAOYSA-N 468.509 4.546 50 10 JJGE C=CCn1c(SCC(=O)NN=Cc2ccc(C)cc2)nc2scc(-c3ccccc3)c2c1=O 2320486478 ZUQAVRVUZSQNMU-UHFFFAOYSA-N 474.611 4.862 50 10 JJGE COc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1OC 2329709003 YHKSQXAUNAPAEE-INIZCTEOSA-N 467.591 4.561 50 10 JJGE C=CC[C@@H](Br)[C@@H]1CCN1C(=O)c1cc(Br)ccc1I 2335811105 RDOULPPGWORLGY-YPMHNXCESA-N 498.984 4.608 50 10 JJGE C[C@H](NC(=O)c1ccc(Cl)cc1I)[C@H]1CCC[C@H]1Br 2340069291 XKCKCFOTLRAQHU-MKPLZMMCSA-N 456.549 4.627 50 10 JJGE COc1cc(F)c(F)cc1[C@@H](Br)c1c(Br)c(Br)nn1C 2364068600 DITUHEYVTVKDBH-SECBINFHSA-N 474.925 4.716 50 10 JJGE Cn1nc(Br)c(Br)c1[C@H](Br)Cc1ccc([N+](=O)[O-])cc1 2364231128 VQAAJDCHICFOIR-SECBINFHSA-N 467.943 4.532 50 10 JJGE COc1c(Br)cc(C)c([C@H](Br)C2(S(C)(=O)=O)CC2)c1Br 2365193994 NDKMKLNHSUXBQR-LBPRGKRZSA-N 491.039 4.542 50 10 JJGE Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 13981543 OZIDXNGWWLKWOO-UHFFFAOYSA-N 473.573 4.693 50 10 JJGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(CC)cc1 14648338 KZMAAVJDOJWCIC-UHFFFAOYSA-N 477.399 4.811 50 10 JJGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc21 38650104 ZDNQPSDEWICKTB-QFIPXVFZSA-N 477.860 4.694 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCCC)c(OC)c2)cc1 40970645 PHWQWESBVHAGBC-BUJGOANSSA-N 462.546 4.926 50 10 JJGE COc1ccc(OC)c(N/C=C(\C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)c1 100331371 MWFKQNTUIWMCGF-SDNWHVSQSA-N 476.470 4.818 50 10 JJGE O=C(N[C@@H]1CCCCC[C@H]1Br)c1cc(Cl)ccc1I 236066837 SNWTWGGBIOVGQR-DGCLKSJQSA-N 456.549 4.771 50 10 JJGE CCCCOc1ccc(C=NNC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccccc2)cc1 252621995 NMCLCQHHSCRKNS-UHFFFAOYSA-N 493.629 4.774 50 10 JJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)Cc2ccccc2)cc1OC 254879724 NTQPOOOLBGWMEO-UHFFFAOYSA-N 468.509 4.769 50 10 JJGE COc1cc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)ccc1Cl 382711742 ZIKZNEQEUADFMA-OLZOCXBDSA-N 451.732 4.734 50 10 JJGE C[C@H](Br)C[C@H](C)CNC(=O)c1cc(Br)ccc1I 397820047 GWJYFWOBXJDDFQ-IUCAKERBSA-N 488.989 4.593 50 10 JJGE CN(c1ncc(C(F)(F)F)cc1I)[C@@H]1CCCC[C@@H]1Br 686110029 YMYFLAFYXXCUDR-GXSJLCMTSA-N 463.079 4.847 50 10 JJGE CC[C@@H](C[C@H](C)Br)NS(=O)(=O)c1cc(Br)c(C)cc1Br 716933556 HGJTXEZPNGQLME-UWVGGRQHSA-N 492.071 4.750 50 10 JJGE Cc1csc([C@H](C)NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)n1 727669506 MHNUBYFEHJSHLH-ADFUCPMPSA-N 450.955 4.666 50 10 JJGE CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2ccccc2Br)c1C 855634420 DWIMXZOFKYDEDF-JIHKLPAASA-N 458.356 4.755 50 10 JJGE COc1cc(C=NNC(=O)c2ccc(OCc3ccccc3)cc2)cc(Br)c1O 1083920321 OSJFRKBRWRTEMF-UHFFFAOYSA-N 455.308 4.506 50 10 JJGE N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)NCc1ccc2c(c1)OCO2 1084500241 GQBMIPDWAFUEFP-JAIQZWGSSA-N 491.341 4.980 50 10 JJGE C#CCCCC(=O)NNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)CCC2 1558512271 CMNWMTXVPHMFKH-ZZEZOPTASA-N 453.542 4.685 50 10 JJGE O=[N+]([O-])c1ccc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)c(Cl)c1 1614637179 TWLHKSZZOIRYAY-PBHICJAKSA-N 456.711 4.899 50 10 JJGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccc(O)cc3)CCC4)c2n1 1772744194 AVVDCKWMFWAFFC-UHFFFAOYSA-N 469.497 4.840 50 10 JJGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(Cl)cc4)c(C)c32)cc1 1772745664 GMRPXIOOSNHECL-UHFFFAOYSA-N 451.910 4.973 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865686876 DESWYZXYRDIYJF-DEOSSOPVSA-N 464.525 4.839 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc1OC 1865694790 BSTDNFFKBVLPML-HSZRJFAPSA-N 474.561 4.840 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1OC 1865695554 PXEQXEULYSQWQL-IBGZPJMESA-N 488.441 4.715 50 10 JJGE CCC[C@@H](NC(=O)C[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866732891 ZCXXMQIBTGMHPR-FCHUYYIVSA-N 479.602 4.838 50 10 JJGE CSCC[C@H](NC(=O)CCc1csc(-c2ccncc2)n1)C(=O)Nc1ccc(SC#N)cc1 1867060489 LZLQZUOVANXFOK-FQEVSTJZSA-N 497.671 4.587 50 10 JJGE Clc1ccc(I)c(CN2C[C@@H](CBr)C3(CCC3)C2)c1 1914520125 VFBHPJGZBXCBFD-GFCCVEGCSA-N 454.577 4.942 50 10 JJGE CC1(C)C[C@H](Br)CN(C(=O)c2ccc(Br)cc2Br)C1 1923163554 IGRRMUAVPJRPES-JTQLQIEISA-N 454.000 4.847 50 10 JJGE CC(C)([C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)[S@@](=O)CC1CC(Cl)C1 1991724582 XXEAFDZHSXUBLJ-WTUJRHMFSA-N 490.021 4.523 50 10 JJGE O=C(c1csc(Br)c1Br)N1CC2(CC2)C[C@H]1CBr 2037831025 JWBXXNXJRFMAMZ-ZETCQYMHSA-N 458.013 4.663 50 10 JJGE CC(C)[C@@H]1[C@H](Br)CCN1C(=O)c1cc(Br)sc1Br 2062177105 BJADCMAMRRKFFM-PSASIEDQSA-N 460.029 4.907 50 10 JJGE C[C@H](CBr)CCCNC(=O)c1ccc(Br)cc1I 2086147025 HZBGKYGFFKLFSU-VIFPVBQESA-N 488.989 4.595 50 10 JJGE CC[C@@](C)(CCBr)NC(=O)c1ccc(Br)cc1I 2086147205 KNTPWCUQWHNUGE-ZDUSSCGKSA-N 488.989 4.737 50 10 JJGE O=C(c1cccc(Br)c1Br)N(CCCBr)C1CCC1 2092341280 ZUCCDJURTBZBJC-UHFFFAOYSA-N 454.000 4.991 50 10 JJGE BrCc1cc(Br)c(OCOC[C@@H]2CCCO2)c(Br)c1 2092616323 NESWJNKAJAPFRY-JTQLQIEISA-N 458.972 4.638 50 10 JJGE C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(CCl)sc2Br)CN1Cc1ccccc1 2098610208 XOOCNRNOKSMGIM-DZGCQCFKSA-N 477.877 4.533 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2143979295 WJIOHILMAIKIKJ-RULNRJAQSA-N 466.011 4.990 50 10 JJGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCn3ncnc3C2)cc1Br 2165256790 BZXMPFJKDOYHGH-OTYXRUKQSA-N 463.999 4.810 50 10 JJGE C[C@@](CI)(O[C@H]1COC2(CCC2)C1)c1ccccc1Br 2197361278 WGUZDFWSFAKCGB-DOMZBBRYSA-N 451.142 4.828 50 10 JJGE Brc1ccc([C@H](CI)O[C@@H]2CCN3CCC[C@@H]3C2)cc1 2199475296 NWGFEUSTPIZEFI-OAGGEKHMSA-N 450.158 4.569 50 10 JJGE C[C@@]12CC[C@@](CCl)(C1)N(C(=O)c1cc(Br)ccc1I)C2 2199514089 BBYUJGIEUUWFLQ-CABCVRRESA-N 468.560 4.677 50 10 JJGE COc1ccccc1NC(=O)COc1ccc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC 2293233176 CKBRLHHOZVTAED-UHFFFAOYSA-N 485.540 4.884 50 10 JJGE C=CCOc1c(Cl)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 2313566916 DHTODMHGSMBOOB-UHFFFAOYSA-N 486.797 4.923 50 10 JJGE BrCC(CBr)(Cc1nc(Br)cs1)C1CCOCC1 2320005065 UUALLRXMAHXAIG-UHFFFAOYSA-N 462.045 4.651 50 10 JJGE CC(C)(CI)CN1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 2326669893 RAIGYHQCRNKKAA-IRXDYDNUSA-N 464.432 4.807 50 10 JJGE CC[C@H]1CN(C[C@]2(CBr)CC2(F)F)[C@H](CC)CN1C(=O)OCc1ccccc1 2326919410 MJEBGGZCPMHTOI-WSTZPKSXSA-N 459.375 4.918 50 10 JJGE CC1(C)CC[C@H](Br)CN1C(=O)c1ccc(Cl)cc1I 2340066523 ROORYXFMPWBQBP-VIFPVBQESA-N 456.549 4.723 50 10 JJGE CC(C)Oc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1Br 14658913 YSGVIHRPWMGLJE-UHFFFAOYSA-N 496.361 4.563 50 10 JJGE CCCc1ccc(C(=O)/C(C#N)=C\c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)cc1 34765789 WRWBFSZOYJFVBR-NKFKGCMQSA-N 490.581 4.710 50 10 JJGE CC(=O)Nc1sc(/C(C#N)=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)nc1-c1cccs1 34983051 PCXLIYVGSOCNTM-RVDMUPIBSA-N 496.595 4.802 50 10 JJGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1Cl 38688260 MZEDQUYPOFIRCA-QFIPXVFZSA-N 477.860 4.694 50 10 JJGE Cc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 58890810 NHMQQYVMGKNUHD-QERUCQRHSA-N 454.914 4.620 50 10 JJGE Cc1ccc(-n2nc(C)c(/C=N/NC(=O)CN(Cc3ccccc3)Cc3ccccc3)c2C)cc1 59166866 HGCNBRKMGIEVGC-UXHLAJHPSA-N 465.601 4.950 50 10 JJGE COc1ccc([C@H](C(=O)NC2CCCCC2)N(CCc2c[nH]c3ccccc23)C(=O)CCl)cc1 97914329 FVEPVGJOQZOFQZ-AREMUKBSSA-N 482.024 4.977 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc(C)cc1C(C)(C)C 206406141 CFOYBZIZWBAGRQ-MOSHPQCFSA-N 464.562 4.717 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C(C)C)c(C)c1 206409421 QNNXEZYOGNLKFL-BKUYFWCQSA-N 488.540 4.928 50 10 JJGE CC[C@@H](CCBr)CNC(=O)c1cc(I)ccc1Br 233872247 JNLSLDFRZRFHFD-VIFPVBQESA-N 488.989 4.595 50 10 JJGE C[C@@H](CCCBr)CNC(=O)c1cc(I)ccc1Br 384367738 JDOAJSVUYOFLNP-VIFPVBQESA-N 488.989 4.595 50 10 JJGE Nc1ccc(Br)cc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CBr 394700063 XUYPINFBLIYBIJ-WMLDXEAASA-N 468.189 4.778 50 10 JJGE O=C(N[C@@H](CBr)C1CCCC1)c1cc(Cl)ccc1I 395420641 GSYKKPYUFKESMR-ZDUSSCGKSA-N 456.549 4.628 50 10 JJGE O=C(NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1 1083943277 AHIGKRUHNFOLBB-UHFFFAOYSA-N 470.441 4.736 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCC)cc2Br)cc1 1083951226 WCAVYIQBKVVAQB-HXUWFJFHSA-N 493.398 4.609 50 10 JJGE Cc1ccc(NCC(=O)NN=Cc2ccccc2OCc2ccc(Br)cc2)cc1 1084099704 SUOYKDULMICGMV-UHFFFAOYSA-N 452.352 4.899 50 10 JJGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NNC(=O)CCCSc1ccccn1 1084183452 VEHBMDMFIKVNAA-UHFFFAOYSA-N 462.623 4.589 50 10 JJGE CC(/C=C/c1ccccc1)=NNC(=O)COc1ccc(Br)cc1Br 1084220996 ZSOICLUSEVPAER-QLGZWBLUSA-N 452.146 4.796 50 10 JJGE COc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)ccc1OC(C)=O 1084428813 XCDWOVVNSORYGD-UHFFFAOYSA-N 487.556 4.934 50 10 JJGE N#C/C(=C\c1ccc(OCC(=O)O)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084529810 AJJIIXAWANHSBH-IZZDOVSWSA-N 470.106 4.765 50 10 JJGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1cccc(Br)c1 1084598484 HWCMZNDELCKYJB-UHFFFAOYSA-N 479.381 4.990 50 10 JJGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NCc4ccccc4Cl)c(C)c32)c1 1772749162 IGLFAJYOPSVSSQ-UHFFFAOYSA-N 465.937 4.650 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)cc1O 1865680942 AODNZBQAWVVHBZ-HNNXBMFYSA-N 483.233 4.827 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865711410 XWFSDGOOQSCMBP-HSZRJFAPSA-N 452.489 4.964 50 10 JJGE COc1ccc(/C=C(\C(=O)NNC(=O)CCC(=O)c2ccc(C)cc2C)c2ccccc2)cc1 1865760470 ZDVOGSHISKASFK-BWAHOGKJSA-N 456.542 4.663 50 10 JJGE CCCOc1ccc(/C=N\NC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)cc1OC 1865760899 VIEAYTLBYKDBRY-YUMHPJSZSA-N 463.534 4.636 50 10 JJGE CCC[C@H](NC(=O)CCc1csc(-c2ccncc2)n1)C(=O)Nc1ccc(SC#N)cc1 1867064618 XURYRXPABUXGDE-FQEVSTJZSA-N 465.604 4.634 50 10 JJGE CC(C)NCc1cc(Br)c(OC[C@H]2C[C@@H]2Br)c(Br)c1 1887832949 LTELIPOSJUSEML-MNOVXSKESA-N 456.016 4.872 50 10 JJGE O=C(c1cc(I)ccc1O)N(Cc1ccccc1)[C@H](CCl)C1CC1 1915159392 NVVKTQJJTQGHNF-QGZVFWFLSA-N 455.723 4.657 50 10 JJGE CC(=O)[C@@H](Br)Cc1cc(Br)c(Br)c(Br)c1 1931651826 WFLFDUJOUKCHMF-ZETCQYMHSA-N 463.789 4.869 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2C[C@H](C[C@@H]2Br)C1 2045146048 BPJWURUEVFDPKB-CSMHCCOUSA-N 458.013 4.519 50 10 JJGE O=C(CBr)c1c(OC(F)(F)F)cc(I)cc1C(F)(F)F 2055118638 SWQLTVJIXXFPGX-UHFFFAOYSA-N 476.936 4.786 50 10 JJGE C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl 2080353766 PGAGVJAYRDPYKY-ZAMMJROLSA-N 484.976 4.668 50 10 JJGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CCCS2(=O)=O)c1Br 2083317316 FKGCFFCHZSZAEP-CMPLNLGQSA-N 461.013 4.533 50 10 JJGE C=CCC[C@H](CBr)NC(=O)c1ccc(Br)cc1I 2086144755 DNZGHGFACRFUJZ-SNVBAGLBSA-N 486.973 4.513 50 10 JJGE CC1(C)CN(Cc2ccc(Br)cc2Br)C[C@@H](CBr)O1 2092261624 RRICJKSEUVUBQK-GFCCVEGCSA-N 456.016 4.586 50 10 JJGE CC(C)CN1C[C@H](Br)[C@H](Cc2cc(Cl)ccc2I)C1 2100727098 LVRYRTHQHWQOKB-OCCSQVGLSA-N 456.593 4.838 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@@H](Br)C2(CCC2)C1 2108695053 NMXZGNMVWFQHCH-GFCCVEGCSA-N 451.984 4.601 50 10 JJGE O=S1(=O)C[C@@H]2CCC[C@@]2([C@@H](Br)c2cc(Br)c(Br)s2)C1 2137224495 BMKBYJGOAQCXAJ-VIRWGQHYSA-N 493.080 4.924 50 10 JJGE COCCn1ncc(Br)c1C[C@H](Br)c1ccccc1Br 2169747707 IZKYCJDNWSRNQA-LBPRGKRZSA-N 466.999 4.733 50 10 JJGE O=S(=O)(c1cc(CBr)ccc1Cl)N1CC2(CC(OCc3ccccc3)C2)C1 2179794537 IHASJXYPLPMWCJ-UHFFFAOYSA-N 470.816 4.605 50 10 JJGE FC(F)[C@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cncc(Br)c21 2193246200 SFMKLPJWOYUYSF-XJKSGUPXSA-N 455.734 4.871 50 10 JJGE CC1(C)C[C@](C)(CBr)CN1C(=O)c1cc(Cl)ccc1I 2199538061 IBZRNYPEPUQKHH-OAHLLOKOSA-N 470.576 4.970 50 10 JJGE C[C@]1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)COCCO1 2272747106 GMELKZUISVZSIW-NWDGAFQWSA-N 464.926 4.731 50 10 JJGE CN(C)c1ccc(C=C(NC(=O)c2cccc(F)c2)C(=O)NN=Cc2c(O)ccc3ccccc23)cc1 2294217746 FUMBLQMOGSEVQL-UHFFFAOYSA-N 496.542 4.672 50 10 JJGE COc1cccc(C=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)c1OCc1ccccc1F 2295669978 SXYDDICRAWYQHB-UHFFFAOYSA-N 460.461 4.730 50 10 JJGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)cc1 2296542770 MYMFESYCESQDBI-UHFFFAOYSA-N 496.523 4.748 50 10 JJGE COc1ncc(Br)c(C)c1CO[C@H]1CCCCC[C@H]1I 2368200519 WOUICHUUXXMQFG-KGLIPLIRSA-N 454.146 4.814 50 10 JJGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 14644909 BQKJPAIQCIKCLY-AWEZNQCLSA-N 498.432 4.521 50 10 JJGE Cc1c(C(=O)NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)oc2ccccc12 16006535 IKQZSUURBISKQT-UHFFFAOYSA-N 483.553 4.542 50 10 JJGE CC1CCN(c2ccc(/C=C(/C#N)c3nn(-c4ccccc4)c(N)c3C#N)cc2[N+](=O)[O-])CC1 33400148 DMDXHODTFLSVNI-UYRXBGFRSA-N 453.506 4.535 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 38654297 UTKWETJWBPPDAX-NRFANRHFSA-N 492.831 4.594 50 10 JJGE COc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811679 BMPXATKICNJBRI-OVVQPSECSA-N 451.910 4.973 50 10 JJGE O=C(CSCc1ccccc1Cl)N/N=C/c1cc(Br)cc(Br)c1O 59146570 YENRQCIPMLRFIJ-IFRROFPPSA-N 492.620 4.954 50 10 JJGE O=S(=O)(c1cc(Cl)c(Br)s1)N(CCBr)Cc1ccccc1 147590371 FLMZPICTKMTFPT-UHFFFAOYSA-N 473.639 4.750 50 10 JJGE Cc1cccc(C(=O)NC[C@@H]2CCCC[C@@H]2CBr)c1I 235923113 ICTCSVRQVUGWGM-OLZOCXBDSA-N 450.158 4.531 50 10 JJGE O=C(CBr)c1cc(Br)cc(I)c1OC(F)(F)F 575691775 QGBYLNDSSKJWDT-UHFFFAOYSA-N 487.835 4.530 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CCCC[C@@H]1CCCl 721614380 ATUMXPBQACPAJV-LLVKDONJSA-N 456.549 4.677 50 10 JJGE Cc1cc(C)c(C=NNC(=O)COc2c(C)cc(Br)cc2Br)c(C)c1 1084025892 OYOVMGRKIHJMNQ-UHFFFAOYSA-N 468.189 4.974 50 10 JJGE C=C(C)[C@@H]1CC=C(C)C(=NNC(=O)COc2ccc(Br)cc2Br)C1 1084352931 ATIPHOKEMMFTKM-CYBMUJFWSA-N 456.178 4.995 50 10 JJGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1084359558 CUCFATGLJITPOC-UHFFFAOYSA-N 483.487 4.615 50 10 JJGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2ccccc2F)cc1)c1cccc(Cl)c1Cl 1084585235 DUVKFLFZAXDLPS-UHFFFAOYSA-N 494.375 4.863 50 10 JJGE CCOc1ccc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1OC 1772755511 KCLCBOJRCLVREI-UHFFFAOYSA-N 463.372 4.683 50 10 JJGE C[C@H]1C[C@@H]2[C@H]([C@@H](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 1848432600 BCQSHKWNDQOMFA-QDHWUFGKSA-N 488.741 4.833 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1OC 1865707023 MCJYMKILRLFWQX-QGZVFWFLSA-N 476.842 4.780 50 10 JJGE N#CSc1ccc(Nc2cc(N3CCN(C(=O)C4CC4)CC3)nc(-c3ccccc3)n2)cc1 1868365101 KOWUGORAHZUDOA-UHFFFAOYSA-N 456.575 4.519 50 10 JJGE COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc1OCc1ccc(C)cc1 1873793592 RJCDCIGRPMXUGV-MGZHSMRGSA-N 483.609 4.972 50 10 JJGE COc1cc(C)c([C@@H](Br)c2cnn(C)c2I)cc1Br 1901679929 ZKUKXYPTDPXZQV-GFCCVEGCSA-N 499.972 4.589 50 10 JJGE O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(CCCBr)Cc1ccccc1 1914641518 FJKFNFXOPNJNRB-UHFFFAOYSA-N 456.134 4.785 50 10 JJGE CC1(C)[C@@H](CBr)CCN1C(=O)c1scc(Br)c1Br 2034141833 YVMKMSMXKMCICD-SSDOTTSWSA-N 460.029 4.909 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CC[C@H](Br)[C@@H]1C1CC1 2067016644 MYZGOHVANSYKGU-XVKPBYJWSA-N 458.013 4.661 50 10 JJGE COc1cc(F)c([C@H](Cl)c2cc(I)sn2)cc1Br 2082785369 AMWQOGCIMYMGAS-NSHDSACASA-N 462.509 4.986 50 10 JJGE C[C@@H](Br)CCCc1cn(-c2ccc(I)cc2Br)nn1 2132761642 HTMJTHUZFIEADA-SECBINFHSA-N 498.988 4.741 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@H](CBr)C12CC2 2133819227 FOVIXNRDFZZJCW-SECBINFHSA-N 451.984 4.601 50 10 JJGE CC(C)[C@H](Br)C(=O)Nc1ccc(C(F)(F)F)cc1I 2139266314 IOGMPSPYPVPGNI-JTQLQIEISA-N 450.036 4.668 50 10 JJGE O=C(NC[C@]1(CCl)C[C@@H]1C(F)(F)F)c1cc(Br)c(Br)s1 2192571229 AKUWCZAOQZWZER-OIBJUYFYSA-N 455.521 4.810 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H](CN(CCCCCI)C2CC2)C1 2214705620 VEARTKBFMAXBOK-MRXNPFEDSA-N 450.405 4.703 50 10 JJGE Brc1cccc(C[C@]23CO[C@](CI)(C2)C3)c1Br 2216261631 ISZFNOJXNJXLFS-BETUJISGSA-N 471.958 4.738 50 10 JJGE CCc1nn(-c2cc(C)cc(F)c2CBr)c(CC)c1I 2283425912 GWGPVMDNHAUMDG-UHFFFAOYSA-N 451.121 4.944 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H](Br)CCC12CC2 2295314113 TXWLGHXFCZTHRG-NSHDSACASA-N 466.011 4.673 50 10 JJGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCCCOC(C)C)ccc1Cl 2296846338 CHFVLZWZHCRESA-UHFFFAOYSA-N 494.979 4.595 50 10 JJGE CC[C@@H](C)[C@@H](CI)NCc1ccc(Cl)c(I)c1 2300238912 QWCOKFPTBGBCPR-NOZJJQNGSA-N 477.555 4.884 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(C(=O)OC)cc2)sc2c1CC[C@@H](CC)C2 2314571722 KVVGWJJYVRCRCR-OAHLLOKOSA-N 466.559 4.772 50 10 JJGE CCOc1cc(C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCC(C)C 2314616468 BHJOVDPNMGWPDJ-UHFFFAOYSA-N 488.540 4.641 50 10 JJGE CC1=C(C#N)C(=O)N(C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 2314617747 ZXZITBVLJSKQGO-UHFFFAOYSA-N 473.330 4.524 50 10 JJGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)ccc2OC)cc1 2314634501 AKQOKYHCAHKFML-HHHXNRCGSA-N 484.508 4.549 50 10 JJGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C)cc2C(C)(C)C)c(OC)c1 2314737393 GPHJVAORVGOTHC-UHFFFAOYSA-N 464.562 4.719 50 10 JJGE CCOc1cc(C=NNC(=O)Cc2cc(Cl)ccc2SC)cc(Br)c1O 2318417830 HLOPGKRHVKRTSC-UHFFFAOYSA-N 457.777 4.622 50 10 JJGE CCCOc1c(OC)cc(C=NNC(=O)Cc2cc(Cl)ccc2SCC)cc1OC 2323678074 JJBBSFGMFXLCGQ-UHFFFAOYSA-N 450.988 4.951 50 10 JJGE C[C@@H](Br)[C@@H](NCc1cc(I)ccc1Cl)C(F)(F)F 2327406720 MAIXKJXIYGMHNV-LHLIQPBNSA-N 456.471 4.749 50 10 JJGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)OCC)cc2OCC)cc1OC 33378273 XYXMEWWUZDLSLV-YJXVQIIVSA-N 479.529 4.972 50 10 JJGE CCC[C@H](C)c1nc(N2CCN(C(=O)C(C)(C)CCl)CC2)c2cnn(-c3ccccc3)c2n1 35925828 AXXSYPIIWJAQMR-SFHVURJKSA-N 469.033 4.633 50 10 JJGE Cn1c(SCC(=O)NNC=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)nc2ccccc21 38315096 MMFWALDQEZSIJK-UHFFFAOYSA-N 452.624 4.698 50 10 JJGE COc1cccc(O[C@@H](C)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)c1 40960949 HDPLGRDRCKNZNO-AEIQVQRHSA-N 483.362 4.954 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cn(Cc3ccccc3C#N)c3ccccc23)cc1 58893480 CJLKVKKUNPHNAO-UHRFABFRSA-N 480.568 4.924 50 10 JJGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)COc2ccc(Br)cc2C)c1 66201450 LNSVMPZNAHMFFJ-UHFFFAOYSA-N 491.426 4.786 50 10 JJGE O=C(/C=C\c1cccc2ccccc12)NNC(=O)COc1ccc2ccccc2c1Br 101411086 SUMFMYYRHARHPX-SQFISAMPSA-N 475.342 4.995 50 10 JJGE CCc1ccccc1NC(=O)CN(C)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OC)cc2)c1C 198430113 XQJYSIAZEFFPEG-KQWNVCNZSA-N 470.573 4.669 50 10 JJGE O=C(NC[C@@H]1CCCC[C@@H]1Br)c1cc(Cl)ccc1I 236065747 CIAOZMJOCFWKAD-CABZTGNLSA-N 456.549 4.628 50 10 JJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cc(C(C)C)ccc3C)cc2)cc1 254519458 XQGWCIBFHQCRMU-UHFFFAOYSA-N 460.530 4.875 50 10 JJGE O=C(N[C@H]1CCC[C@H](CBr)C1)c1cc(Cl)ccc1I 311582436 IKJZCYBZYLNGOP-ONGXEEELSA-N 456.549 4.628 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccc(Br)c(O)c2)C1 383466314 IYUTVJJKRKPNKM-NEPJUHHUSA-N 482.156 4.540 50 10 JJGE O=C(c1scc(Br)c1Br)N1CCS[C@@H](CCBr)C1 720022169 FHPRBCBSTGYYTC-ZETCQYMHSA-N 478.069 4.616 50 10 JJGE O=C(NCC1CCC(Cl)CC1)c1ccc(I)c(Br)c1 721617378 HUJRAURBSAOJLN-UHFFFAOYSA-N 456.549 4.581 50 10 JJGE O=C(COc1ccc2c(c1Br)CCCC2)NN=Cc1ccc(Br)cc1 1084594858 JXEKJMDMYUEIBJ-UHFFFAOYSA-N 466.173 4.620 50 10 JJGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(OCC)c1)C(C#N)=C(N)O2 1865681641 SFKAQZOVMPREOC-QFIPXVFZSA-N 464.953 4.860 50 10 JJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865691864 CRUZTXJFIFKSJI-FQEVSTJZSA-N 471.344 4.977 50 10 JJGE CCn1nc(C)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1865701334 SLNDTONSVNWJKH-JOCHJYFZSA-N 450.926 4.671 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706876 HSMUBKBKMNWDHZ-RUZDIDTESA-N 494.551 4.842 50 10 JJGE N#C/C(=C(/O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(F)cc2F)cs1 1872818328 XHLQEZMBEMVILC-JZJYNLBNSA-N 451.454 4.957 50 10 JJGE O=S1(=O)CC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923050813 ZVSDGKQLDZPUFF-XINAWCOVSA-N 487.460 4.797 50 10 JJGE Cn1ncc(Br)c1C[C@@H](CBr)Cc1ccccc1Br 2087325531 PAKOAVJRJKJTDB-JTQLQIEISA-N 451.000 4.741 50 10 JJGE O=C(N[C@H]1CCC[C@@H]1CCBr)c1cc(Cl)ccc1I 2090571516 IUILEIHGJWVRRD-RNCFNFMXSA-N 456.549 4.628 50 10 JJGE CC(C)N(CCOCCBr)Cc1c(Br)cccc1Br 2094098226 GPHGVOGMUBMVPU-UHFFFAOYSA-N 458.032 4.834 50 10 JJGE BrC[C@@H]1CN(c2ncc(Br)cc2Br)CC12CCCC2 2118590679 OTEVLDIANRUVDF-SNVBAGLBSA-N 453.016 4.998 50 10 JJGE C[C@H](Br)C12CCC(CC1)N2C(=O)c1cc(Cl)ccc1I 2153385388 DXHOJBBKXXVDBH-IEBVAXJPSA-N 468.560 4.865 50 10 JJGE O=C(c1cc(I)ccc1Br)N(CCCl)Cc1ccsc1 2171095527 YTEMQKVDBDMZSI-UHFFFAOYSA-N 484.584 4.996 50 10 JJGE O=C(Nc1ccc(Br)cc1I)[C@@H](Cl)c1ccccc1 2231622132 HWTQAMSNXDMFOG-ZDUSSCGKSA-N 450.501 4.972 50 10 JJGE CC(C)(C)OC(=O)N1CCC(C2CCN(CCCCI)CC2)CC1 2248246648 JJGNOOJCQVWUPE-UHFFFAOYSA-N 450.405 4.561 50 10 JJGE O=C(N[C@]1(CBr)C[C@H]2CC[C@H]1C2)c1cc(Br)ccc1Br 2283931299 CESXYMOLVPHOSP-YHAQOWFVSA-N 466.011 4.895 50 10 JJGE O=C(NCCSCCCBr)c1csc(Br)c1Br 2299206922 QNARLAUEEJGOOM-UHFFFAOYSA-N 466.058 4.521 50 10 JJGE Cc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 2313564846 BGXJDLQVGUXZJR-UHFFFAOYSA-N 463.877 4.690 50 10 JJGE O=S1(=O)C[C@@H]2[C@H]([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)[C@@H]2C1 2314440613 QWXFHYLQYKBBQD-NBMJBFSESA-N 486.225 4.755 50 10 JJGE CCCOc1c(OC)cc(C=NNC(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)cc1OC 2323743870 FAJCVHNQTUWNDR-UHFFFAOYSA-N 458.518 4.800 50 10 JJGE O=C(Cc1ccc(Br)s1)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 2326843824 RXAGCSYPCLRTHH-UHFFFAOYSA-N 488.794 4.774 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(S(C)(=O)=O)CC1 2339685626 HWSGOFASBRKEHH-NSHDSACASA-N 479.003 4.672 50 10 JJGE C[C@H](Br)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2I)C1 2340060488 CVIXERRHQINZFT-VHSXEESVSA-N 456.549 4.580 50 10 JJGE C[C@H]1COc2ccc([C@H](Br)c3c(Br)c(Br)nn3C)cc21 2364227915 GGEFCZCUXLINTI-CPCISQLKSA-N 464.983 4.925 50 10 JJGE FC(F)(F)[C@H]1CN(Cc2ccc(Cl)cc2I)C[C@H]1CBr 2366739582 XNLZMBRKELCZGP-KOLCDFICSA-N 482.509 4.950 50 10 JJGE O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 33958548 CXZHCUAOYVRWDQ-YDZHTSKRSA-N 454.280 4.700 50 10 JJGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)c1 38684504 CVHJEMCCQKIMJU-MHZLTWQESA-N 470.525 4.850 50 10 JJGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)NCCc1ccccc1 39850258 UENQACMDNOPAGH-HAVVHWLPSA-N 476.536 4.576 50 10 JJGE COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 39858575 VMIJGBUCCUEQPJ-CYVLTUHYSA-N 466.497 4.658 50 10 JJGE CCCCc1ccc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])cc1 40581276 ULBIGUYWZBBPFV-UHFFFAOYSA-N 485.342 4.990 50 10 JJGE CCCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cc(Cl)ccc1Cl 48571846 QEUGKSXLWJLJFC-LSHDLFTRSA-N 473.154 4.634 50 10 JJGE O=C(CCCNc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(O)c(Br)c1 59507722 SRCRLQGNIXGYIP-LSHDLFTRSA-N 489.595 4.913 50 10 JJGE CCCS(=O)(=O)CCC(CBr)(CBr)c1ccc(Br)cc1 233257860 XDBJDLNLLXNANH-UHFFFAOYSA-N 491.083 4.692 50 10 JJGE Brc1cc([C@@H]2CC[C@@H](CI)O2)sc1Br 306203743 MWOSPRNIOVWXLQ-FSPLSTOPSA-N 451.949 4.928 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2C[C@@H](Br)C[C@H]1C2 709823535 WLFXGBOAHUSNKQ-JMJZKYOTSA-N 451.984 4.600 50 10 JJGE O=C(NC1(CCCl)CCSCC1)c1ccc(I)c(Br)c1 721602673 LMLNGSVRSQYAQS-UHFFFAOYSA-N 488.616 4.678 50 10 JJGE CC(=NNC(=O)Cc1nn2c(C3CCCCC3)nnc2s1)[C@H]1C[C@@H]1c1ccccc1Cl 920369488 WHGUXADLCMRGKK-IAGOWNOFSA-N 457.003 4.725 50 10 JJGE Cc1ccc(C(=O)NCC(=NNC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc2)cc1 1088739681 LHBSWQLGYPCUSY-UHFFFAOYSA-N 470.451 4.849 50 10 JJGE CCOc1cc(C=NNC(=O)c2cc(Cl)ccc2O)ccc1OC(=O)c1ccc(F)cc1 1565518056 KASMHLUAFRHFGC-UHFFFAOYSA-N 456.857 4.567 50 10 JJGE C=CCc1cc(C(=O)NNC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc(OC)c1OC 1625995262 NITGYCSAZPSXHZ-UHFFFAOYSA-N 458.729 4.859 50 10 JJGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3C)cc1OC 1865690837 CISNXUCNDHVDNE-LJQANCHMSA-N 489.414 4.931 50 10 JJGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697680 ZGEIYGYPQQSXMZ-DEOSSOPVSA-N 458.562 4.816 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865700689 BFNJONZUXORTGJ-OAQYLSRUSA-N 482.943 4.912 50 10 JJGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707000 LIOUYRNUQATNGW-IBGZPJMESA-N 471.344 4.733 50 10 JJGE COc1ccc(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1OC 1865759657 LGMPWPCTCRLQGW-VZUCSPMQSA-N 486.355 4.855 50 10 JJGE C[C@H]1c2ccc(CNC(=O)/C(C#N)=C/c3ccc(Br)cc3)n2CCN1C(=O)OC(C)(C)C 1866128720 IHLVIUSPRFOVRO-HZGBGQKMSA-N 499.409 4.786 50 10 JJGE CCC[C@H](NC(=O)Cc1csc(COc2ccccc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866583945 LNPNNEZYOXIBGP-NRFANRHFSA-N 480.615 4.761 50 10 JJGE C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1866840063 OUONRXOCYZWRTN-BXKMTCNYSA-N 477.561 4.649 50 10 JJGE Cc1ccc(CC(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)o1 1867258482 YRPATURKPPVHOG-JOCHJYFZSA-N 465.600 4.761 50 10 JJGE Brc1cc(COCC2CC(Br)C2)ccc1I 1904374374 RHSCSDQTWNZBLR-UHFFFAOYSA-N 459.947 4.744 50 10 JJGE O=C(NCC[C@H]1CCC[C@H]1Cl)c1cc(Br)ccc1I 1913715200 QZECUPJXYOFALG-BXKDBHETSA-N 456.549 4.581 50 10 JJGE O=C(NCC[C@H]1CCC[C@@H]1Br)c1cc(Br)c(Br)s1 1913722718 ZPYRKIBKJCOVHO-SFYZADRCSA-N 460.029 4.957 50 10 JJGE ClCCc1nc2cc(I)ccc2n1Cc1csnc1Br 1926872332 KUCFHNGNZNOKAQ-UHFFFAOYSA-N 482.572 4.690 50 10 JJGE O=C(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)[C@@H](Br)C1CCCC1 1979583972 BGTJBVILVMQVEK-QHCPKHFHSA-N 471.439 4.528 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC1CC2(CC(CNC(=O)OC(C)(C)C)C2)C1 2010826506 CLRVVYOFMCXTBV-UHFFFAOYSA-N 475.721 4.566 50 10 JJGE O=C(c1csc(Br)c1Br)N1C2CCC1(CBr)CC2 2032955889 GNRZIUFDORCWJN-UHFFFAOYSA-N 458.013 4.805 50 10 JJGE O=S1(=O)C[C@H]2C([C@H](Br)c3c(Cl)sc(Br)c3Cl)[C@@H]2C1 2054221299 ZLAXYJMGNGEUPT-FXFZYULNSA-N 455.020 4.544 50 10 JJGE COc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)cc1C 2079242626 AAMIFLFCOQBZQW-UHFFFAOYSA-N 489.073 4.767 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CCC([C@H](F)CBr)CC1 2163243900 FKYLGAIRSVDTOG-CYBMUJFWSA-N 471.990 4.797 50 10 JJGE CC(C)(CC(CBr)(CBr)c1ccc(Br)cc1)S(C)(=O)=O 2167895483 QHCDZMXKNXYVAE-UHFFFAOYSA-N 491.083 4.690 50 10 JJGE CN(C(=O)c1cc(I)ccc1Br)C1CCC(CCl)CC1 2171093883 JTBVTHSLBKPEMG-UHFFFAOYSA-N 470.576 4.923 50 10 JJGE O=C(NC12CCC(CCl)(CC1)C2)c1cc(Br)ccc1I 2189298926 CBPMPUHVQXMJNL-UHFFFAOYSA-N 468.560 4.725 50 10 JJGE O=C(NC[C@H]1CCCC[C@@H]1CCl)c1ccc(Br)cc1I 2207268687 NDYBUHVZNAULTK-GHMZBOCLSA-N 470.576 4.829 50 10 JJGE O=C(NC[C@@]12CCC[C@@]1(CCl)C2)c1ccc(Br)cc1I 2208036416 NDHJHKWGFVZKKW-GJZGRUSLSA-N 468.560 4.583 50 10 JJGE C[C@H]1[C@@H](Br)C[C@@H](C)CN1C(=O)c1ccc(Br)cc1Br 2227593548 FFZFTCQJMFIGRF-PTRXPTGYSA-N 454.000 4.846 50 10 JJGE ClC[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncc(I)cc1Br 2231988948 WROMBGQCAAZKSE-CDMKHQONSA-N 455.565 4.825 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CCCC[C@@H]1CCBr 2268359612 UMXTWJRLXWTHBF-LLVKDONJSA-N 456.549 4.724 50 10 JJGE CC(C)[C@H](Br)CCNC(=O)Cc1cc(Br)cc(Br)c1 2277930854 YUUBBLGUSQNLFX-CYBMUJFWSA-N 456.016 4.680 50 10 JJGE Brc1cc(C[C@H]2CCOCC[C@H]2Br)ccc1I 2306210383 ILCWUATVZKBJTR-GHMZBOCLSA-N 473.974 4.786 50 10 JJGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1OC 2313518462 DVKRVORCCUXIKE-UHFFFAOYSA-N 474.298 4.719 50 10 JJGE COc1cc(C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 2314617303 VREKAGVFJQGGKN-UHFFFAOYSA-N 458.558 4.955 50 10 JJGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(C)ccc4OC)cs3)cc2C1=O 2331323052 YTQPZVXUOMYGAZ-UHFFFAOYSA-N 489.553 4.710 50 10 JJGE COc1c(Br)c(C(O)=C(C#N)c2nc(C)cs2)c(Br)c(OC)c1OC 2331398804 MTRSFYBQAKUYDT-UHFFFAOYSA-N 490.173 4.952 50 10 JJGE COc1c(Br)cc(C)c([C@H](Br)C2[C@H]3COC[C@H]23)c1Br 2339653290 HXQGQZFNMDFCII-UBJUHAIHSA-N 454.984 4.857 50 10 JJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccccc1OCCc1ccccc1 10509085 ZBMSNXVCJMNACQ-INIZCTEOSA-N 473.356 4.843 50 10 JJGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1 14030923 OVVMZCBHRRNFHJ-UHFFFAOYSA-N 491.613 4.784 50 10 JJGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NCc3cccnc3)oc12 33515895 ZDVYDYDSNDMTKD-FYJGNVAPSA-N 475.508 4.912 50 10 JJGE COc1ccc(N(C(=O)/C(C#N)=C/c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1Cl 40977775 UOISNALSWGNMBM-NBVRZTHBSA-N 482.945 4.686 50 10 JJGE CCOOC1=NN(c2ccccc2)[C@@]2(NN=C(Cc3ccccc3)N2Cc2ccccc2)S1 104958691 ZXSSYDSZARKHOK-VWLOTQADSA-N 459.575 4.752 50 10 JJGE CCOc1ccc(-c2nc(CC(=O)NNC(=O)c3cc(C)n(-c4ccccc4)c3C)cs2)cc1 105838751 BQFCHPLRTMNJNX-UHFFFAOYSA-N 474.586 4.620 50 10 JJGE O=C(NNC(=O)C1(c2ccc(Cl)cc2)CCOCC1)c1cc(-c2ccco2)nc2ccccc12 108934611 FIKHVAKROMZLJP-UHFFFAOYSA-N 475.932 4.658 50 10 JJGE CC(C)n1ncc(C(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1C(F)(F)F 109913386 IBTGGSIPXILPIO-UHFFFAOYSA-N 480.874 4.790 50 10 JJGE O=C(NN=Cc1ccccc1OCc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 245238470 PUHRXZRCZDOXSW-UHFFFAOYSA-N 454.280 4.700 50 10 JJGE O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)NN=Cc1ccccc1OC(F)F 254344490 PREDHTRADGTWNB-UHFFFAOYSA-N 492.570 4.535 50 10 JJGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(N(C)C)cc3)n2-c2ccc(C)cc2)cc1 254628708 DSGPWSYCPWAFMG-UHFFFAOYSA-N 484.629 4.860 50 10 JJGE COc1ccc(CC(=O)NN=C(C)c2cccc(NC(=O)c3ccc(Cl)s3)c2)cc1OC 254702537 RFZZJKPOPQNJRQ-UHFFFAOYSA-N 471.966 4.754 50 10 JJGE Brc1cc([C@@H]2CC[C@H](CI)O2)sc1Br 306203747 MWOSPRNIOVWXLQ-VDTYLAMSSA-N 451.949 4.928 50 10 JJGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(OCC)c1)C(C#N)=C(N)O2 1865680940 ALHBYAVFMHKLJF-NRFANRHFSA-N 450.926 4.801 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682199 IPVBHDJIFXCWGB-XMMPIXPASA-N 480.524 4.539 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1 1865713435 ZDZVHJMMWDQGSJ-LJQANCHMSA-N 454.452 4.794 50 10 JJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2nc(C3CC3)n3ccccc23)cc1 1866859902 RKWFLRYQDUKWQW-JOCHJYFZSA-N 499.571 4.904 50 10 JJGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 1872749333 MMKGUMONKNLXPX-JZJYNLBNSA-N 474.498 4.896 50 10 JJGE CC(C)(CBr)COCc1ccc(I)c(Br)c1 1904372992 ZDHAAHHHUZJVTO-UHFFFAOYSA-N 461.963 4.991 50 10 JJGE CCC[C@@](C)(CBr)NC(=O)c1ccc(I)c(Br)c1 2029950658 WTCJZJAYOOTFIO-ZDUSSCGKSA-N 488.989 4.737 50 10 JJGE O=C(c1scc(Br)c1Br)N1CC[C@@H](Br)[C@H]1C1CC1 2067019155 BVGPZCIBLCCHDK-GMSGAONNSA-N 458.013 4.661 50 10 JJGE C[C@H]1CC[C@@](CBr)(NC(=O)c2cc(Br)c(Br)s2)C1 2074214167 WEDDXPXVBGHBKX-JVXZTZIISA-N 460.029 4.957 50 10 JJGE C=CC[C@](C)(CCl)CNC(=O)c1ccc(Br)cc1I 2142280575 GCYFCNBEAJSZFG-CQSZACIVSA-N 456.549 4.605 50 10 JJGE CN(C[C@H](Br)C1CCCC1)S(=O)(=O)c1cc(Cl)c(Br)s1 2167653539 YNWRUBDITNLAKA-VIFPVBQESA-N 465.660 4.738 50 10 JJGE C[C@@H]1CCC[C@@](CCl)(NC(=O)c2ccc(Br)cc2I)C1 2207269333 QJXWTSQABVSMSS-MEBBXXQBSA-N 470.576 4.971 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)Cc1cccc(Cl)c1Br 2242029926 WNELERSBJKPPRK-NSHDSACASA-N 457.549 4.705 50 10 JJGE O=C(NC[C@@H]1CCCC[C@H]1Br)c1ccc(Cl)c(I)c1 2268359991 YLZRLIFPISMHPW-WDEREUQCSA-N 456.549 4.628 50 10 JJGE COc1ccc([C@@H](Br)c2cc(I)sn2)c2c1CCC2 2269111699 VEMZZJIXYVTSKD-CQSZACIVSA-N 450.139 4.729 50 10 JJGE N#CC(=Cc1ccccc1OCc1cccc(C(=O)O)c1)C(=O)NCCc1c[nH]c2ccccc12 2294172035 VTNDPSJPOVDSTP-UHFFFAOYSA-N 465.509 4.711 50 10 JJGE COC(=O)c1cccc(Cn2cc(C=C(C#N)S(=O)(=O)c3ccccc3)c3ccccc32)c1 2295561136 JGQKIOLPHFGMMC-UHFFFAOYSA-N 456.523 4.815 50 10 JJGE CC[C@H](C)[C@@H](CI)NCc1cc(I)ccc1Cl 2307325332 XXDJUVMADPEVIG-TVQRCGJNSA-N 477.555 4.884 50 10 JJGE C[C@@H]1C[C@@H](CBr)CN(Cc2ccc(I)c(Br)c2)C1 2325221608 HOHVASCPBYUADF-PWSUYJOCSA-N 487.017 4.907 50 10 JJGE CN(Cc1ccc(I)c(Br)c1)[C@@H](CCBr)C(F)F 2325231923 XLBVTSKWUVGFOR-NSHDSACASA-N 496.959 4.904 50 10 JJGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CNc1cc(OC)c(Cl)cc1OC 2325309845 KBBQOURXRFIGDC-UHFFFAOYSA-N 457.914 4.772 50 10 JJGE FC1(F)C[C@H](CBr)N(Cc2cc(I)ccc2Cl)C1 2327392175 XOOZCLMBWDQYPE-SNVBAGLBSA-N 450.492 4.549 50 10 JJGE C[C@@H]1c2ccc(CNC(=O)C(C#N)=Cc3cccc(Cl)c3)n2CCN1C(=O)OC(C)(C)C 2329674854 JSBXOPKIJQQIJZ-MRXNPFEDSA-N 454.958 4.677 50 10 JJGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1cc(Br)cc(Br)c1 2330898999 CUMUDWVITAMGTC-GYBADROVSA-N 451.984 4.503 50 10 JJGE Cc1ccc(Br)cc1CNCC(F)(F)C(F)(F)CI 2336533310 CMSCUFXOKWRHDG-UHFFFAOYSA-N 454.043 4.553 50 10 JJGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2[C@H]3COC[C@H]32)c1Br 2339653288 HXQGQZFNMDFCII-MDSNHJATSA-N 454.984 4.857 50 10 JJGE CC(C)[C@@H](CBr)N(C)C(=O)Cc1cc(Br)cc(Br)c1 2341383641 YOONRLKPARPPOB-CYBMUJFWSA-N 456.016 4.632 50 10 JJGE COc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1OC 33089371 NAVXEWVPGWZMTB-YUMHPJSZSA-N 487.585 4.502 50 10 JJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)c1 38659990 PRSZALOYZVNVDA-VWLOTQADSA-N 492.915 4.560 50 10 JJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)c1 38688757 HMSNLDBRRYQXJI-DEOSSOPVSA-N 492.915 4.803 50 10 JJGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 39992840 UNJQWUHMPZHJAZ-NBVRZTHBSA-N 454.461 4.788 50 10 JJGE COc1ccccc1NC(=O)/C(C#N)=C/c1c(Oc2ccccc2C)nc2c(C)cccn2c1=O 39993173 VDICSICBHNQJDZ-XDJHFCHBSA-N 466.497 4.658 50 10 JJGE O=C(NNc1ncnc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-])c1ccc(Br)cc1 40646576 ULHWIQMGSAZOSP-UHFFFAOYSA-N 498.124 4.955 50 10 JJGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1ccc(C)cc1 59475503 YVQVOFDFYTYZEY-LQKURTRISA-N 470.602 4.780 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2cc(F)ccc2Br)C1 382698325 YREGCCPHXXCCBD-MFKMUULPSA-N 484.147 4.974 50 10 JJGE O=C(N[C@H](CBr)CC(F)(F)F)c1cc(Br)ccc1Br 717757968 DNKCUWYCCDEDIM-ZETCQYMHSA-N 467.905 4.657 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CCS[C@@H](CCBr)C1 719999283 NGJXATNEANSBRC-ZETCQYMHSA-N 478.069 4.616 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 1084094447 BSFIVQFZZWCYBK-HNNXBMFYSA-N 457.361 4.728 50 10 JJGE O=C(Oc1ccc(C=NNC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 1084477382 ITHOYRCAHACBGU-UHFFFAOYSA-N 458.257 4.885 50 10 JJGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1cccc(F)c1 1084555310 HMEQNWGTDSTMBT-QHCPKHFHSA-N 450.510 4.767 50 10 JJGE C#CC[C@@]1(C(=O)N2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)CCCN1C(=O)OC(C)(C)C 1460764269 PBICBVHGBQULFG-CYFREDJKSA-N 450.696 4.792 50 10 JJGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865696054 WSIXEEFIOYGLEA-DEOSSOPVSA-N 458.562 4.818 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)ccc1O 1865706391 VOVXCFUPWHKTIY-HXUWFJFHSA-N 478.430 4.977 50 10 JJGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@H]1C[C@@H](Br)C1 1877420784 DJZSUTDAJVPNMM-YESZJQIVSA-N 471.395 4.546 50 10 JJGE ClCc1nc2cc(I)ccc2n1Cc1ncccc1Br 1927101516 HDTYMENMHWCIMV-UHFFFAOYSA-N 462.516 4.586 50 10 JJGE O=C(NCCCCCCI)c1cccc(Br)c1Br 2031484786 DUOPVGKMSQZWAP-UHFFFAOYSA-N 488.989 4.937 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@@H]2CC[C@@H](Br)[C@H]2C1 2032958602 HZRNEGQLGWCIMS-ACLDMZEESA-N 458.013 4.519 50 10 JJGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H](C)S(C)(=O)=O)c1Br 2081069690 CNSKNWGFTLMAFG-UFBFGSQYSA-N 463.029 4.698 50 10 JJGE C[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)[C@H](C)C[C@H]1Cl 2093104397 JOAFPEPBIUVLPD-KBVBSXBZSA-N 456.549 4.532 50 10 JJGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Cl 2123199812 YBERIZUONCKKFD-UHFFFAOYSA-N 460.821 4.852 50 10 JJGE BrCc1ccc(Br)cc1N1CC[C@H]2COC[C@@H](C1)N2Cc1ccccc1 2139652518 PUVZYGYZJKLVIA-VQTJNVASSA-N 480.244 4.824 50 10 JJGE O=C(c1cccc(Br)c1Br)N1[C@H](CBr)C[C@@H]2CCC[C@H]21 2164661233 AWDZRLZUFBZZCK-OUJBWJOFSA-N 466.011 4.990 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)CC[C@@H]1CCBr 2172471071 BYEHRSIHJZZYPD-MNOVXSKESA-N 470.576 4.828 50 10 JJGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N1CC[C@H](COCc2ccccc2)C1 2179861747 LZAFZRAJDOQBLI-KRWDZBQOSA-N 472.832 4.771 50 10 JJGE CC(C)(C)[C@@H]1[C@H](Br)CCN1C(=O)c1cc(Cl)ccc1I 2185101074 VTNVDKZGSQLWHA-YPMHNXCESA-N 470.576 4.969 50 10 JJGE CC(C)(C)OC(=O)N[C@H](C[S@](C)(=O)=NCCCCCI)C(C)(C)C 2214696553 MXDWCPKAAYSQNN-SHACYNPGSA-N 474.449 4.629 50 10 JJGE Brc1cnc(N2CC[C@@H]3[C@@H](Br)CCC[C@@H]3C2)c(Br)c1 2225463350 ZFAKJBMIDNCMEC-USWWRNFRSA-N 453.016 4.997 50 10 JJGE CC[C@@H](Br)[C@H]1CCCCN1C(=O)c1ccc(C)c(I)c1 2232827252 AQWISHVXMCORKM-UKRRQHHQSA-N 450.158 4.768 50 10 JJGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3cc(C)cc(C)c3)nc3c(C)cccn3c2=O)cc1 2296543427 ALZBETRJUPQROU-UHFFFAOYSA-N 480.524 4.966 50 10 JJGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)N1CCN(c2ccccc2)CC1 2313545858 KNNBIMGOFMXITD-UHFFFAOYSA-N 462.347 4.965 50 10 JJGE COc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1ccccc1Cl 2313567884 OUCOSRZEEPFZTB-UHFFFAOYSA-N 496.732 4.527 50 10 JJGE C=CC[C@@H](Br)[C@H]1CCN1C(=O)c1cc(Br)c(Br)s1 2314221753 APRGWDJXYAHXEU-VXNVDRBHSA-N 458.013 4.827 50 10 JJGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)cc1 2314522347 FKDJRTZWAYVKQL-UHFFFAOYSA-N 469.522 4.915 50 10 JJGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314533680 TWFFLDGMQWRVON-UHFFFAOYSA-N 450.498 4.958 50 10 JJGE CC(C)CO[C@@H]1[C@@H](Cl)C[C@H]1Oc1cc(Br)cc(I)c1 2338758111 POWHSVRDBFHAOF-BFHYXJOUSA-N 459.549 4.853 50 10 JJGE CC1(C)C[C@@H](Br)CN(C(=O)c2ccc(Cl)cc2I)C1 2340063985 CAMNSEHDPYLGLD-SECBINFHSA-N 456.549 4.580 50 10 JJGE C[C@H](NC(=O)c1ccc(Cl)cc1I)[C@H]1CCC[C@@H]1Br 2340069294 XKCKCFOTLRAQHU-XRNSZHNASA-N 456.549 4.627 50 10 JJGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@H]1CN(C[C@H](CBr)C1CCC1)C2 2370173725 AFSYNCKVMIMTHF-BXWFABGCSA-N 451.396 4.812 50 10 JJGE COc1ccc(/C=C(/C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)c(OC)c1 33398854 QKODYCMQJXSWMS-CHHVJCJISA-N 461.455 4.906 50 10 JJGE Cc1ccc(N2C(=O)/C(=C/NNC(=O)c3ccccc3-n3cccc3)c3ccccc3C2=O)c(C)c1 38183827 WIJDWAYOEBBBGD-HKOYGPOVSA-N 476.536 4.557 50 10 JJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cc(C)c(Cl)c(C)c2)c(OCC)c1 40867276 DRZNEVDWMSMJGQ-WOJGMQOQSA-N 457.910 4.810 50 10 JJGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/Nc1ccccc1C(=O)c1ccccc1 101235196 TYGZDJXHOJXCNR-NCELDCMTSA-N 461.521 4.665 50 10 JJGE O=S(=O)(N[C@@H]1c2ccccc2C[C@H]1Br)c1cc(Cl)c(Br)s1 137000314 TVZPATAXSLPLQX-BXKDBHETSA-N 471.623 4.503 50 10 JJGE CCc1ccc(C=NNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Cl)cc2)cc1 254593518 NCPIYIVXMMQOST-RUZDIDTESA-N 472.976 4.875 50 10 JJGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1ccc(Br)cc1Br 686179644 PPFCHCRXLHOUMW-QLXFMQRKSA-N 466.011 4.988 50 10 JJGE CN(Cc1ccccc1)CC1CCN(S(=O)(=O)c2cc(CCl)sc2Br)CC1 717500133 QMAIZVZZWLJSML-UHFFFAOYSA-N 491.904 4.782 50 10 JJGE Fc1cc2c(cc1I)nc(CCl)n2Cc1cnc(Br)s1 718874793 VQFOTBOEEFHOEC-UHFFFAOYSA-N 486.535 4.786 50 10 JJGE CC[C@@H](C[C@@H](C)Br)NC(=O)c1ccc(I)c(Br)c1 721605940 ULUODFWYSVNDGP-SCZZXKLOSA-N 488.989 4.736 50 10 JJGE CCOC(=O)c1cccc(-c2ccc(C=NNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)o2)c1 1084355573 RYNGEZIILYYVNP-UHFFFAOYSA-N 493.519 4.742 50 10 JJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc3ccccc23)c2ccccc2F)cc1 1084381188 MCIBRVJGMBUHFQ-UHFFFAOYSA-N 475.545 4.633 50 10 JJGE C=CCn1ncc2ccc(NC(=O)NNc3cccc(OC(F)F)c3Br)cc21 1467381236 CZBFWUJCGZCGGE-UHFFFAOYSA-N 452.259 4.735 50 10 JJGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)c1 1865689551 BXWAQYRNOSGIHV-SFHVURJKSA-N 458.415 4.706 50 10 JJGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1c(F)cccc1Cl 1865693283 MQMSDZSXTYAPBX-NRFANRHFSA-N 468.916 4.658 50 10 JJGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)cc1OC 1865696591 IFIVAXNMHZOCQI-OAQYLSRUSA-N 495.377 4.628 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865708140 PDMPTBXKJJNCRK-NRFANRHFSA-N 495.377 4.823 50 10 JJGE CC[C@@](C)(NC(=O)Cc1nc(-c2ccccc2OC)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866672982 YPDKYZLBYLUUKJ-RUZDIDTESA-N 478.574 4.698 50 10 JJGE COc1ccc([C@@H](Br)c2c(Br)c(C)nn2C)c(Br)c1 1877177114 WIQUWMONANRIIJ-GFCCVEGCSA-N 452.972 4.746 50 10 JJGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)CCCOCc1ccccc1 1915079162 ZASGLAFDFDIXFP-NRFANRHFSA-N 454.430 4.599 50 10 JJGE CC1(C)C[C@H](Cl)CN(C(=O)c2ccc(I)c(Br)c2)C1 1923156519 MACQMVHRAWXYGO-JTQLQIEISA-N 456.549 4.533 50 10 JJGE FC(F)(F)Oc1cc(I)cc(I)c1CCl 2060229700 BICRXGPIQTUHFS-UHFFFAOYSA-N 462.374 4.533 50 10 JJGE C[C@@H]1C[C@H](CBr)CCN1C(=O)c1cc(Br)ccc1Br 2115841308 DORSXSZFGORBBE-NXEZZACHSA-N 454.000 4.847 50 10 JJGE O=C(N[C@@H](CCl)c1cccs1)c1cc(I)ccc1Br 2119048512 UVTVOLPCGSFPKA-NSHDSACASA-N 470.557 4.825 50 10 JJGE CC1(C)C[C@@H](CBr)CN1C(=O)c1cc(Cl)ccc1I 2127825237 ZHSYDFLUHRPXOP-VIFPVBQESA-N 456.549 4.580 50 10 JJGE Cc1cc(C(=O)N2CCC(CCCBr)CC2)ccc1I 2207105421 UIFYKQBMJWRYIP-UHFFFAOYSA-N 450.158 4.627 50 10 JJGE O=C(NCC[C@H]1CCCC[C@H]1Cl)c1ccc(Br)cc1I 2207261134 KCXVHHIUMMSXRT-ZWNOBZJWSA-N 470.576 4.971 50 10 JJGE CN(C(=O)c1cccc(Br)c1Br)[C@@H](CBr)CC1CC1 2226153523 CLRXMVSQRIHBAO-SNVBAGLBSA-N 454.000 4.847 50 10 JJGE CC1(C)CN(C(=O)c2ccc(Cl)c(I)c2)CC[C@@H]1Br 2268358466 MANBPXKRELTDAK-LBPRGKRZSA-N 456.549 4.580 50 10 JJGE COCC1([C@@H](Br)c2ccc(OC)c(I)c2)CC(F)(F)C1 2295606441 BVHPJXNFEUFVNJ-LBPRGKRZSA-N 461.084 4.798 50 10 JJGE COc1cc(Br)cc(Br)c1OCC(=O)NN=C(C)C=Cc1ccccc1 2297321719 NVYZRNAEGQSOKY-UHFFFAOYSA-N 482.172 4.805 50 10 JJGE O=S(=O)(N[C@@H](CCCl)COCc1ccccc1)c1cc(Cl)c(Br)s1 2303763299 KVNSWSAVHPLZAA-LBPRGKRZSA-N 473.241 4.657 50 10 JJGE COc1ccc(CC(=O)Oc2ccc(C=C(C#N)c3ccc(OC)c(OC)c3)cc2OC)cc1 2320506510 LFEWFLMKMVRBII-UHFFFAOYSA-N 459.498 4.933 50 10 JJGE Cc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc(Br)cc4C3=O)n2)cc1 2331313571 WCPKIKKVXASUNY-UHFFFAOYSA-N 480.343 4.970 50 10 JJGE Clc1ccc(CN2C[C@H]3CCC[C@@]3(CBr)C2)c(I)c1 2341005376 NKXNQDDPQGLRCW-IUODEOHRSA-N 454.577 4.942 50 10 JJGE CN(c1ccccc1Cl)S(=O)(=O)c1cc(CBr)sc1Br 2364667697 CORNSFXUSQISIB-UHFFFAOYSA-N 459.612 4.884 50 10 JJGE O=C(NC(=S)NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(OCCc2ccccc2)c1 10333978 DQNLCGSZQJYRKS-UHFFFAOYSA-N 488.396 4.564 50 10 JJGE Cc1nc(COc2cccc(/C=C/C(=O)NNC(=O)CC34CC5CC(CC(C5)C3)C4)c2)cs1 12484348 LMVINZXFCSWJKZ-AATRIKPKSA-N 465.619 4.798 50 10 JJGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 13982088 ZJVFEXGELFZWFO-UHFFFAOYSA-N 481.577 4.735 50 10 JJGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccc(OCCOc2ccccc2)cc1 14039540 SZFXWPCAPYUQCR-FQEVSTJZSA-N 470.525 4.526 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)c1 38650131 LCDNYQDJSUJMKL-XMMPIXPASA-N 462.889 4.551 50 10 JJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1OC 38681229 IQALUNICBUAVCW-VWLOTQADSA-N 499.479 4.606 50 10 JJGE Cc1c(C(=O)N2CCCC[C@@H]2C)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812804 QUFASNVOYMRGFI-GYQDZVIGSA-N 472.383 4.836 50 10 JJGE COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc(OC)c1OC 40841284 WNJCFYPBBRJFIT-VULFUBBASA-N 499.361 4.671 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCC)cc2Br)cc1 58895023 WCAVYIQBKVVAQB-FXONECCMSA-N 493.398 4.609 50 10 JJGE C/C(=N\NC(=O)CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccccn1 58991612 AOZIGTBMRHGUFM-XHLNEMQHSA-N 484.629 4.860 50 10 JJGE O=C(Cn1c2ccccc2c2ccccc21)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1 59462319 XJUZMRSXTOAFJN-WPWMEQJKSA-N 455.518 4.843 50 10 JJGE COc1ccc(COC(=O)[C@@H](C(=O)Cl)c2ccc(OCc3ccc(OC)cc3)cc2)cc1 163444422 NJNJKCTUPVUBSF-HSZRJFAPSA-N 454.906 4.875 50 10 JJGE N#C/C(=C/NCCc1ccc(Br)cc1)C(=O)NC(c1ccccc1)c1ccccc1 216980427 VDRBAUQKGOWNLP-PYCFMQQDSA-N 460.375 4.894 50 10 JJGE COCCCOCCC(CBr)(CBr)c1ccccc1Br 232239980 IZCVYIJBIKMFKT-UHFFFAOYSA-N 473.043 4.920 50 10 JJGE CN(C)c1ccc(C=NNC(=O)c2csc(-n3nc(C(F)(F)F)cc3-c3ccccc3)n2)cc1 254577342 CFXAKLZCESBBTI-UHFFFAOYSA-N 484.507 4.845 50 10 JJGE COc1ccc(C(=O)Nc2cccc(C(C)=NNC(=O)c3c(O)ccc4ccccc34)c2)cc1 254698006 HTVXSGFPDQOUPE-UHFFFAOYSA-N 453.498 4.960 50 10 JJGE COc1ccc(/C=C/C(=O)OCc2csc(N(N=Cc3ccc(C)cc3)C(C)=O)n2)cc1OC 254752987 DAAMQQFLXPAWLE-WZTBFMDJSA-N 479.558 4.612 50 10 JJGE O=C(N[C@H]1CCC[C@@H](CCl)C1)c1cc(I)ccc1Br 311375951 VYVBBXRYURMXPK-KOLCDFICSA-N 456.549 4.581 50 10 JJGE Cn1cc(Br)c([C@H](Br)c2cc(Br)cc3c2OCCC3)n1 688386189 NNQZXQIAMOIPCT-GFCCVEGCSA-N 464.983 4.754 50 10 JJGE CC(C)(C)CN(CCCl)C(=O)c1ccc(I)c(Br)c1 721512905 ZDNLSGFNRCRNDS-UHFFFAOYSA-N 458.565 4.781 50 10 JJGE CN(C)C(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1 1083960274 YYUOARXCKSLBIT-OQLLNIDSSA-N 466.706 4.519 50 10 JJGE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687415 QQPZMHXWQKZXPP-XMMPIXPASA-N 458.562 4.907 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865687603 VRYADUVIJXDOBN-XMMPIXPASA-N 482.515 4.978 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc(Cl)c1O 1865706983 KLUSFZNATJZIDU-MRXNPFEDSA-N 476.842 4.536 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865708602 YWZLGFKAZWHLJT-HSZRJFAPSA-N 452.489 4.964 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@H]2CC(=O)c3ccccc32)cc1 1867240178 LXBFLBITYAKTAJ-DVECYGJZSA-N 469.566 4.686 50 10 JJGE CC(C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1)N1C(=O)c2ccccc2C1=O 1872751062 RVVPAAKMRHKLMH-HBBKMXGMSA-N 487.537 4.695 50 10 JJGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)cc2)C1 1873777669 OIUZLRWZWXGAET-NKSQBSFPSA-N 490.991 4.709 50 10 JJGE O=S1(=O)CC([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 1899875560 XUHJLXQEXDOCEN-QGZVFWFLSA-N 460.187 4.509 50 10 JJGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1F 1914636309 FSEPAOPCDXROJT-LBPRGKRZSA-N 465.182 4.563 50 10 JJGE O=S1(=O)CC[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924583921 QQCVKBUHSZGLIA-CLZZGJSISA-N 487.460 4.750 50 10 JJGE O=S(=O)(N[C@H](CBr)CC1CCCC1)c1cc(Cl)c(Br)s1 1926787240 SPZDYHQZJQUMFN-VIFPVBQESA-N 465.660 4.786 50 10 JJGE CC(C)(C)OC(=O)NCCCN(CCCBr)c1cccc(Br)c1 1977957504 GCAQQQKPCHEKII-UHFFFAOYSA-N 450.215 4.955 50 10 JJGE CC[C@H](C)[C@H](CI)NCc1ccc(I)c(Cl)c1 2026564036 PKABODMTXULTDS-ZANVPECISA-N 477.555 4.884 50 10 JJGE O=C(c1cc(Br)sc1Br)N1[C@H]2CC[C@@H](C2)[C@@H]1CBr 2058374524 RAQVKRJCTSMFDP-ZKWXMUAHSA-N 458.013 4.661 50 10 JJGE C=CC[C@@](C)(CBr)CNC(=O)c1csc(Br)c1Br 2082051272 ZSGILVRLFIABPG-LBPRGKRZSA-N 460.029 4.980 50 10 JJGE C[C@H]1C[C@@H](Cl)[C@H](C)CN1C(=O)c1ccc(I)c(Br)c1 2093104400 JOAFPEPBIUVLPD-VDDIYKPWSA-N 456.549 4.532 50 10 JJGE C[C@H](NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C(C)(C)CBr 2146705375 WRCSBFOIUPSPOG-ZETCQYMHSA-N 468.038 4.844 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2164661129 AKZRNEAOQIJYMY-CHIMOYNISA-N 468.560 4.723 50 10 JJGE Cc1csc(CBr)c1S(=O)(=O)N(C)Cc1cc(Br)cs1 2179825193 DVADXBLKPQISAT-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE Cc1cc(C(=O)N(C)C2CCC(CBr)CC2)ccc1I 2207106648 YJWTYXIGAZDHPB-UHFFFAOYSA-N 450.158 4.625 50 10 JJGE CN(Cc1ccc(I)c(Br)c1)[C@H]1CCC[C@@H]1Br 2306222796 YTHQTNDSCINCOE-GWCFXTLKSA-N 472.990 4.802 50 10 JJGE Cc1cccn2c(=O)c(C=C(C#N)c3nc4ccccc4n3C)c(Oc3ccccc3F)nc12 2314436979 VWKHUMDOEWINPQ-UHFFFAOYSA-N 451.461 4.885 50 10 JJGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(C)c(C)c1 2314593706 RPGMZJAKFCPXQF-OAQYLSRUSA-N 451.979 4.685 50 10 JJGE C[C@H](Br)c1ccccc1NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364195816 TZXWXPRLDNPKET-INIZCTEOSA-N 493.423 4.741 50 10 JJGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)NCc1ccccc1 33422106 FXBODIPHFOXVOE-PXLXIMEGSA-N 462.509 4.534 50 10 JJGE Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NCc2ccccc2)ccc1Cl 34704681 QIOVCTDPSOKOMU-RGEXLXHISA-N 470.916 4.672 50 10 JJGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 38604369 KOLBKZKKBSCADH-WSDLNYQXSA-N 454.505 4.988 50 10 JJGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OC)cc1 38650080 YIGWXASPWMPTKH-QUGAMOGWSA-N 470.525 4.849 50 10 JJGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)cc(OC)c1OC 38651017 PDYNWPCWJTYMAR-HSZRJFAPSA-N 492.915 4.803 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C(C)C)c(C)c2)c(OC)c1 40988742 SCVKNUUWNYIQFW-KGENOOAVSA-N 464.562 4.935 50 10 JJGE N#C/C(=C\Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc2cc(Cl)ccc2o1 101110600 GJUNDUDPDATROP-VAWYXSNFSA-N 457.924 4.715 50 10 JJGE O=P(c1ccccc1)(c1ccccc1)c1cc(Br)cc(Br)c1O 101525750 YBFQJYXGODSVIP-UHFFFAOYSA-N 452.082 4.557 50 10 JJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2cccnc2)cc1 102858995 HLSOSSAPMKMDIG-KQWNVCNZSA-N 461.525 4.722 50 10 JJGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OC)cc1 205641435 SIGBFZWIMBLFJN-MUWWFZSRSA-N 454.482 4.541 50 10 JJGE Cc1nc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)sc1C 216502948 RGUNWZFYADILBR-NKFKGCMQSA-N 457.603 4.513 50 10 JJGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\NCCc1ccc(OCC)c(OCC)c1 217240876 VQGZYPKJUUTUTE-VZCXRCSSSA-N 479.577 4.619 50 10 JJGE O=C(COc1ccc2ccccc2c1Br)NN=Cc1ccc(Br)s1 252460200 CNLDYVANLLNFCH-UHFFFAOYSA-N 468.170 4.955 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3F)n2-c2ccc(C)cc2)cc1 254381377 QJRYFPBCXPRSQM-UHFFFAOYSA-N 475.549 4.633 50 10 JJGE O=C(Cc1cccc2ccccc12)NN=Cc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254608010 ZVSOFEIBPLAQAL-UHFFFAOYSA-N 453.454 4.660 50 10 JJGE COc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1 254705278 CJUBBBQIWYAJBZ-UHFFFAOYSA-N 494.503 4.898 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc4ccccc4c3)cc2OC)cc1 254741017 BQJDBLNEBHYBJU-UHFFFAOYSA-N 498.535 4.995 50 10 JJGE CCOc1ccc(NC(=O)C(=O)NN=Cc2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 254854967 ANFTYMNHXDXKRC-UHFFFAOYSA-N 495.535 4.855 50 10 JJGE CO[C@@]1(CC(CBr)(CBr)c2cccc(Br)c2)CCOC1 692461399 FTIBBBDTXICNNJ-OAHLLOKOSA-N 471.027 4.672 50 10 JJGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1)c1cccc(I)c1 1083902701 RGFQYFQTRVQMQN-UHFFFAOYSA-N 456.283 4.634 50 10 JJGE CCOc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3ccc(Cl)cc3C)c2C)cc1 1083981523 MCMHSZLEVKTNJY-UHFFFAOYSA-N 452.942 4.543 50 10 JJGE N#C/C(=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)N1CCN(c2ccccc2)CC1 1084124405 CCRNKEHAAFGGDB-JXAWBTAJSA-N 461.905 4.554 50 10 JJGE C#CCOc1cccc(NC(=O)CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1 1465094698 RCTGUEYGCMYJPN-UHFFFAOYSA-N 457.646 4.604 50 10 JJGE CCOc1cc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)ccc1OC 1614689381 YVVZGXUOIHDBPW-MOPGFXCFSA-N 451.348 4.745 50 10 JJGE C=CCC[C@H](NC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 1680634010 WIKDUSSKMLHXFP-KUHUBIRLSA-N 453.436 4.650 50 10 JJGE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696142 KJPWAPFXQWUMDY-GOSISDBHSA-N 457.715 4.520 50 10 JJGE CCCc1nn(CCC)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705054 KYEVCJLYXFVGRF-HSZRJFAPSA-N 472.545 4.692 50 10 JJGE CCC[C@H](NC(=O)[C@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866696901 QIWUBPPNWAZUDU-RPWUZVMVSA-N 458.587 4.905 50 10 JJGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)CCCOCc1ccccc1 1915101150 PHJPXOKRLOISNY-LJQANCHMSA-N 454.430 4.599 50 10 JJGE O=C(c1csc(Br)c1Br)N1CCCC[C@@H](CBr)C1 2032954126 XEBXZUGUVUBSEY-QMMMGPOBSA-N 460.029 4.910 50 10 JJGE Brc1cc(I)cnc1N1CC[C@@]2(CCC[C@H]2Br)C1 2069533101 FHMPCUFHKPHWKS-YPMHNXCESA-N 485.989 4.593 50 10 JJGE COc1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)cc1C 2079257954 FESBHUWWEFHRAX-UHFFFAOYSA-N 475.046 4.708 50 10 JJGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1cc(Br)ccc1Br 2104409721 AAPSDXFNXAUYTE-BOOASOPXSA-N 451.984 4.503 50 10 JJGE O=C(c1csc(I)c1)N1C[C@@H](Br)C2(CCCCC2)C1 2117745776 IEHURIWDRSCSMG-LLVKDONJSA-N 454.171 4.523 50 10 JJGE O=C(N[C@H](CBr)c1cccs1)c1cc(Cl)ccc1I 2119040709 WDFMNJXIHZSELC-LLVKDONJSA-N 470.557 4.872 50 10 JJGE COc1ccc([C@H](Br)c2c(Br)nn(C)c2C)cc1Br 2131590359 OHWPKVLJRAVGKM-LBPRGKRZSA-N 452.972 4.746 50 10 JJGE Clc1cc(CN2C[C@@H]3CC[C@H](Br)C[C@H]3C2)ccc1I 2142943420 MAPYIXAXHYCSDT-AVGNSLFASA-N 454.577 4.940 50 10 JJGE COCC1([C@@H](Br)c2cc(I)cc3c2OCC3)CCCC1 2150585380 KHQWFKBAAAZMID-HNNXBMFYSA-N 451.142 4.869 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CCC[C@@H](CCCCl)C1 2234183343 KEAWZBVWVVFKRQ-LLVKDONJSA-N 470.576 4.925 50 10 JJGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2296835674 PKRQFSAJZVKBTE-UHFFFAOYSA-N 478.555 4.908 50 10 JJGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593446 NAKILEJCOKWBRQ-DEOSSOPVSA-N 471.582 4.893 50 10 JJGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)c1 2314634785 LFALOOUCGUDLPV-HHHXNRCGSA-N 468.509 4.931 50 10 JJGE BrCc1cccnc1OCc1cc(I)ccc1Br 2319166812 KDEMRPTWOIWXOJ-UHFFFAOYSA-N 482.941 4.923 50 10 JJGE O=C(CCc1nc2ccccc2[nH]c1=O)NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 2321685154 NOWOIDURRRTUJN-UHFFFAOYSA-N 495.366 4.892 50 10 JJGE COc1ccc(Cc2nc3ccc(C(=O)NN=Cc4ccccc4C(F)(F)F)cc3[nH]2)cc1 2323720652 SSWRQUYXJMEWGI-UHFFFAOYSA-N 452.436 4.945 50 10 JJGE C[C@@H]1Cc2ccccc2N1C=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324608409 SLEYNDKABXTLMF-HSZRJFAPSA-N 462.597 4.779 50 10 JJGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)C(C#N)=CNc1ccc(I)cc1 2325075960 SUNGJMGCOXNZIF-OAHLLOKOSA-N 475.330 4.695 50 10 JJGE COc1cccc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c1OCc1ccccc1 2328822786 ZQARDKKEZSROPL-NRFANRHFSA-N 469.582 4.664 50 10 JJGE N#CC(=Cc1ccc(Br)cc1)C(=O)NC[C@@H](c1ccccc1)S(=O)(=O)c1ccccc1 2329659880 TWWOSZAHLHOKET-QHCPKHFHSA-N 495.398 4.687 50 10 JJGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccccc4C3=O)n2)c1 2331375953 AKKLQHUHPLOMRR-UHFFFAOYSA-N 475.526 4.696 50 10 JJGE C[C@H]1C[C@H](CBr)CCN1C(=O)c1ccc(Cl)cc1I 2340052041 KJHRJXYAFYUWNW-VHSXEESVSA-N 456.549 4.580 50 10 JJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2ccc(Cl)cc2I)[C@@H]1C 2344518956 BVPYFMONGLEQMV-SBMIAAHKSA-N 456.549 4.579 50 10 JJGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 13981613 DBPLHVPWSWCULF-UHFFFAOYSA-N 471.557 4.712 50 10 JJGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2Cl)cc1 14029717 HLECFVWQKZZBGP-UHFFFAOYSA-N 454.379 4.512 50 10 JJGE C[C@H](NC(=O)/C(C#N)=C1/N=C(NC(=O)c2cccc(Br)c2)c2ccccc21)c1ccccc1 102985028 DUBMQUWLICNPTH-LSJZCYCUSA-N 499.368 4.751 50 10 JJGE O=C(NC[C@H]1CCC[C@@H]1CBr)c1cc(Br)c(Br)s1 126435613 AMNLVNBHNGXHOS-HTQZYQBOSA-N 460.029 4.814 50 10 JJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)C1=O 214299311 NVPVBDLQFULOFU-UQQQWYQISA-N 496.567 4.567 50 10 JJGE CC(C)(C)OC(=O)N1CCC(N/C=C(/C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 217250890 KVUAMFQKGHCKAK-SEYXRHQNSA-N 472.895 4.694 50 10 JJGE CCC(CBr)(CBr)NC(=O)c1ccc(Br)cc1Cl 232856363 YJAPWSTZNRXMND-UHFFFAOYSA-N 462.407 4.771 50 10 JJGE O=C(CCCCBr)Nc1ccc(I)c(Br)c1 300891055 FHGYATLJQHMCMG-UHFFFAOYSA-N 460.935 4.557 50 10 JJGE CC1(C)CN(C(=O)c2cc(Br)ccc2Br)CC[C@H]1Br 311956026 HDSMFJFYQFFCGP-GFCCVEGCSA-N 454.000 4.847 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 398744010 QZXZGEPRVFFTFU-GARJFASQSA-N 468.560 4.580 50 10 JJGE CC(C)N(CCOCCBr)Cc1cc(Cl)ccc1I 405201784 GBVYASIJDPCGJC-UHFFFAOYSA-N 460.581 4.567 50 10 JJGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(Br)cc(Br)c1 686180226 SIORSSZWRWUHMA-ULTHFGNCSA-N 466.011 4.988 50 10 JJGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H](Cc2cccc(Br)c2)CC(C)C)c1 1455415267 CJZKIKXYOPBMAY-GOSISDBHSA-N 458.425 4.653 50 10 JJGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772744747 IUPVEWCBTRYEBM-UHFFFAOYSA-N 456.477 4.998 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)c1O 1865684391 PPLLYZYBHWZPHH-MRXNPFEDSA-N 476.842 4.536 50 10 JJGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1 1865686347 VDVMGNNRURIXBJ-OAHLLOKOSA-N 464.806 4.910 50 10 JJGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc3c(c2)OCCO3)c1 1865698216 NLEWVTQNNJUUKF-FQEVSTJZSA-N 482.462 4.556 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865713979 AEYFIXCXMCMOSU-QFIPXVFZSA-N 483.459 4.569 50 10 JJGE CC[C@@H](NC(=O)Cc1csc(COc2ccc(C)cc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866584296 BUYXHTXEGBGCAX-OAQYLSRUSA-N 480.615 4.680 50 10 JJGE CC(C)(C)OC(=O)NCCCN(c1cccc(Br)c1)C(=O)[C@H]1C[C@H](Br)C1 1887762473 ZDXFHFXDJKCYLY-CTYIDZIISA-N 490.236 4.870 50 10 JJGE BrC1CC([C@@H](Br)c2cc(I)cc3c2OCC3)C1 2020148358 LJCYFADSUAZVBS-SHVIVCPWSA-N 471.958 4.836 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC[C@H]1C[C@H]1C1CCCCC1 2022595092 ROGLTSOQRKKWCX-GJYPPUQNSA-N 451.389 4.938 50 10 JJGE FC(F)(F)c1cc(I)cc(I)c1CBr 2060237422 LKAJFRAKGGTNAJ-UHFFFAOYSA-N 490.826 4.810 50 10 JJGE O=C(c1csc(Br)c1Br)N1CC[C@H](Br)[C@H]2CC[C@H]21 2069997771 WRFGQGONIPJZHC-BWVDBABLSA-N 458.013 4.661 50 10 JJGE CC[C@H](C)[C@@H](CI)NC(=O)c1cc(Br)cc(Br)c1 2081236879 SYIMHSBBEPPGMU-QPUJVOFHSA-N 488.989 4.791 50 10 JJGE CC[C@@H](C)[C@@H](CI)NC(=O)c1cc(Cl)ccc1I 2081239266 PXYDPSQWODZYKG-PRHODGIISA-N 491.538 4.524 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CCC2(CC(Br)C2)C1 2117405313 YAPFOCVAJOXIGQ-UHFFFAOYSA-N 451.984 4.601 50 10 JJGE O=C(NC1(CCCl)CCCC1)c1ccc(Br)cc1I 2142291907 PJSNKQNMJDMVAX-UHFFFAOYSA-N 456.549 4.725 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CCC2(CC1)C[C@H]2CBr 2148910007 NRHTXCQPYRUSRD-NSHDSACASA-N 468.560 4.582 50 10 JJGE Fc1cc(Br)cc(N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)c1CCl 2170696417 DKUZVBLSGNLFRK-RTWAWAEBSA-N 453.783 4.807 50 10 JJGE Cc1sc(CBr)cc1S(=O)(=O)N(C)Cc1sccc1Br 2179823057 FBNJRVULLHMBJJ-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE CCCn1cc(S(=O)(=O)N(CCC(F)(F)F)Cc2ccccc2)cc1CBr 2179858165 LBZZSHCUBVSDMY-UHFFFAOYSA-N 467.351 4.936 50 10 JJGE Cl[C@@H](c1cc(I)sn1)c1ccc2c(c1Br)CCO2 2222175683 XCJWDBXVBBSABG-GFCCVEGCSA-N 456.530 4.773 50 10 JJGE CC(C)(C)OC(=O)N1CC[C@]2(CC[C@@](C)(CI)O2)C[C@H]1C(F)(F)F 2252606064 LMFGSJCAOVPDPB-TUKIKUTGSA-N 463.278 4.691 50 10 JJGE O=C(N[C@@]1(CBr)C[C@H]2CC[C@H]1C2)c1scc(Br)c1Br 2268600917 AAXCFKHSWVBKNU-UVPNAGLESA-N 472.040 4.957 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=CC=Cc3ccco3)n2-c2ccc(C)cc2)cc1 2296007865 YPAYYSGACJUCIS-UHFFFAOYSA-N 473.558 4.752 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@@H]2CCCO2)cc1 2296728691 DBKXXUBFTNZHKW-VWLOTQADSA-N 456.546 4.530 50 10 JJGE Cc1nn(-c2ccccc2)c(C)c1C=C(C#N)C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1 2297487203 LNYAXEPYVQBKIV-UHFFFAOYSA-N 469.328 4.885 50 10 JJGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ncc(Br)cc1Cl 2303545686 VSLIPVGNIJMOMB-AWEZNQCLSA-N 476.596 4.598 50 10 JJGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc(F)cc1Br 2303547205 QDJANJOMEVOBIV-OAHLLOKOSA-N 459.153 4.688 50 10 JJGE CC(C)(C)c1ccc(Cn2cccc(C(=O)NN=Cc3ccccc3C(F)(F)F)c2=O)cc1 2323662285 MCJJMJQGSWPWON-UHFFFAOYSA-N 455.480 4.977 50 10 JJGE N#CC(=CNCc1cccc(Cl)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609761 BKBCWOPGXROHBN-UHFFFAOYSA-N 471.004 4.771 50 10 JJGE ClCC[C@@H]1CN(Cc2ccc(I)c(Br)c2)CCS1 2325225612 HFQFNWFIUWCONE-LLVKDONJSA-N 460.606 4.600 50 10 JJGE Cc1cc(=O)oc2cc(OCC(=O)NN=Cc3ccc(OCc4cccc(Cl)c4)cc3)ccc12 2328793468 HMFURBRDVFOADE-UHFFFAOYSA-N 476.916 4.863 50 10 JJGE O=C(c1c(Br)cccc1Br)N1[C@H]2CC[C@H](C2)[C@@H]1CBr 2330982787 GQIQKKWBBTZKLB-PTRXPTGYSA-N 451.984 4.600 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@@H]2CCOc3ccc(F)cc32)C1 2364438750 SKBCNGZCVWEDNZ-YLJYHZDGSA-N 491.341 4.871 50 10 JJGE Cn1cc(Br)c([C@@H](Br)c2cc3c(cc2Br)OCCC3)n1 2369615827 MGXXGFUGURRDQP-ZDUSSCGKSA-N 464.983 4.754 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(F)(F)F)CCN1C[C@@]1(CBr)CC1(F)F 2379983402 DUPLXGJUOBHIOU-XUJVJEKNSA-N 465.301 4.574 50 10 JJGE O=C(CCC(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)NCc1ccccc1 3657198 DJWQPXNQIMHQTA-AJBULDERSA-N 465.553 4.966 50 10 JJGE CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 14036678 NJQIYUZXOGMECY-UHFFFAOYSA-N 451.567 4.705 50 10 JJGE CO[C@@H](C(=O)N/N=C/c1cc(OCc2ccccc2)ccc1Br)c1ccccc1 20220978 SYTMCVOVLBPZCV-BHSKHCGUSA-N 453.336 4.866 50 10 JJGE CN(Cc1cc(Br)cs1)S(=O)(=O)c1cc(CCl)ccc1Br 91271823 QJCJXTPTXXZGOA-UHFFFAOYSA-N 473.639 4.833 50 10 JJGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)C1=O 101334075 FZPBXPVSFHBQBO-TTXZLZEXSA-N 496.567 4.947 50 10 JJGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 101336968 NWUBWLRRKPBHFC-NHMXVPMISA-N 498.970 4.964 50 10 JJGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)C(=O)NCCc1ccccc1 210034430 OEZOZLSNJZNMMZ-JCMHNJIXSA-N 462.509 4.534 50 10 JJGE COc1cc(C=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OC)c1OC(C)=O 254479656 VFOCQHXBHISCRR-UHFFFAOYSA-N 469.497 4.608 50 10 JJGE O=C1Cc2cc([C@H](Cl)c3ccc(I)cc3)c(Br)cc2N1 312444316 QPRZSHKNGYOXKA-OAHLLOKOSA-N 462.512 4.877 50 10 JJGE O=S(=O)(NCCCN(Cc1ccccc1)Cc1ccccc1)c1ccc(CCCl)cc1 390539652 QLCASNWGQFKMPE-UHFFFAOYSA-N 457.039 4.839 50 10 JJGE C[C@H]1CCCN(C(=O)c2ccc(I)c(Br)c2)[C@@H]1CCl 721508369 ILWUBDILZPCQTG-TVQRCGJNSA-N 456.549 4.533 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(C(=O)OC)cc3C)c2C)cc1 725420985 HDSASWGAAMKIAY-SANMLTNESA-N 491.588 4.552 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680882 ZCEKAVXUWQEISP-DEOSSOPVSA-N 480.524 4.545 50 10 JJGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696450 NHKPPNNQWSVOAB-NRFANRHFSA-N 479.378 4.879 50 10 JJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865715153 XZISLAIBKPVIRP-SFHVURJKSA-N 472.288 4.573 50 10 JJGE CCc1ccc(OCCCC(=O)NNC(=O)CCCSc2ccccc2)c(Br)c1 1865757437 CREHLDOEAXJFTN-UHFFFAOYSA-N 479.440 4.890 50 10 JJGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(N3CCCCCC3)CC2)n1 1868253872 WRVGGZAKKKMJKI-UHFFFAOYSA-N 466.655 4.827 50 10 JJGE Br[C@H](c1cc(I)cc2c1OCC2)[C@H]1C[C@@H](Br)C1 2020171717 LJCYFADSUAZVBS-SBMIAAHKSA-N 471.958 4.836 50 10 JJGE O=[N+]([O-])c1c(CBr)nn(Cc2ccc(F)cc2C(F)(F)F)c1C(F)(F)F 2079259205 SYYPVWVKCQDXCV-UHFFFAOYSA-N 450.108 4.911 50 10 JJGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1 2123200461 IFNSSNWDTKHJIC-UHFFFAOYSA-N 460.821 4.852 50 10 JJGE CC1(C)[C@@H](Br)CC[C@H]1NC(=O)c1ccc(Cl)c(I)c1 2268347243 TWDOFENCDNAJMV-NWDGAFQWSA-N 456.549 4.627 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CCC(CCCBr)CC1 2283670161 RNYQKZCSBLYYKX-UHFFFAOYSA-N 470.576 4.972 50 10 JJGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314592797 BWLKFAJZBSMQCQ-DEOSSOPVSA-N 487.581 4.729 50 10 JJGE CC(C)[C@@H]1C[C@@H](Cl)CN1C(=O)c1cc(I)ccc1Br 2344767470 FWPRGBCCKNWVIP-RNCFNFMXSA-N 456.549 4.532 50 10 JJGE CC1(C)CC(CBr)(CN=[S@]2(=O)CCN(C(=O)OC(C)(C)C)CC2(C)C)C1 2345011733 VODUCSCTHJCAHZ-SANMLTNESA-N 451.471 4.685 50 10 JJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Br)cc2C)cc1 14643337 SWAJPWUIJGHJST-PBHICJAKSA-N 477.399 4.573 50 10 JJGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 14644406 HIEZYXRKOHNAHO-GFCCVEGCSA-N 453.764 4.629 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1c(F)cccc1Cl 38680256 CYMVEMWEFUMGQB-FQEVSTJZSA-N 465.824 4.825 50 10 JJGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 40865071 TYZOFNGJKVZBTP-OBGWFSINSA-N 482.587 4.668 50 10 JJGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(O)c(I)c2)cc1 59335029 HDBUWAUCLZCOOQ-SDQBBNPISA-N 483.103 4.613 50 10 JJGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)NC)cc1 101240455 AELLNBQOPKHYOP-SBOLGIJOSA-N 460.386 4.728 50 10 JJGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(CC)cc3)nc3ccccn3c2=O)cc1 102684082 BNMVHVMZGAYTCD-JZJYNLBNSA-N 480.524 4.994 50 10 JJGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc1 103724648 ITEGALZLTKGXHL-TURZUDJPSA-N 453.583 4.834 50 10 JJGE O=C(NC[C@H]1CCCC[C@H]1Cl)c1cc(I)ccc1Br 236045095 KZAYSDWDRGFAQL-NOZJJQNGSA-N 456.549 4.581 50 10 JJGE COc1ccc(OCc2cc(C=NNC(=O)c3cccc(Br)c3)ccc2OC)cc1 254668727 GTIKGRZQZFPOBI-UHFFFAOYSA-N 469.335 4.809 50 10 JJGE CCOc1ccc([C@@H](Br)c2cnn(C)c2I)c(Br)c1 379209077 LZCZRYYAZOKYFL-GFCCVEGCSA-N 499.972 4.670 50 10 JJGE COc1cc(F)c(Br)cc1[C@@H](Br)c1c(Br)cnn1C 693070931 OZCWVDUEMMYCQE-LLVKDONJSA-N 456.935 4.577 50 10 JJGE Cc1ccc(OCCCNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 725722913 AOEKCWGCBDDYBC-PGMHBOJBSA-N 473.964 4.918 50 10 JJGE COCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)c1C 853509809 DPQICCOWNGGYOC-KLNWSHEISA-N 473.573 4.621 50 10 JJGE C/C(=C/C(=O)NNC(=S)Nc1cccc(Br)c1)c1cccc(C(F)(F)F)c1 1463780277 KYJFRUMZXIDDFP-FLIBITNWSA-N 458.303 4.889 50 10 JJGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cc(Cl)ccc4OC)c(C)c32)c1 1772750248 YCMUVTDTSDXWAO-UHFFFAOYSA-N 481.936 4.981 50 10 JJGE COc1cc(C(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)ccc1[N+](=O)[O-] 1858909871 HNYPTRYOZMBGIZ-UHFFFAOYSA-N 478.486 4.717 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cc(C)ccc1O)C(C#N)=C(N)O2 1865687499 SKDCCUXFMIDATD-HXUWFJFHSA-N 465.351 4.820 50 10 JJGE CCCn1nc(C)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCCCc2ccccc2)c(OC)c1 1865697533 VXJKARCZLIOULD-VWLOTQADSA-N 458.562 4.840 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCCCCCC(F)(F)F 1900518625 KJZNPSPZPCCMGK-AWEZNQCLSA-N 453.283 4.844 50 10 JJGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1sccc1I 1914654279 FAPTZIZKVSGFGZ-NSHDSACASA-N 464.166 4.779 50 10 JJGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1nn(C)c(Cl)c1Br 1979584415 GXNUEWIZSCHFTA-NSHDSACASA-N 463.601 4.652 50 10 JJGE CC[C@H](Br)CN(CC)C(=O)c1cc(Br)ccc1I 2044550317 JMKMZRILQCBBRA-VIFPVBQESA-N 488.989 4.689 50 10 JJGE CCC[C@H](Br)c1cn(-c2ccc(I)c(Br)c2)nn1 2057427529 RJVOURHITMHQFV-VIFPVBQESA-N 484.961 4.871 50 10 JJGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CCCS2(=O)=O)c1Br 2083317317 FKGCFFCHZSZAEP-JQWIXIFHSA-N 461.013 4.533 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(I)ccc2Br)[C@H](C)C[C@@H]1Cl 2093100662 GMNRATQCYRWBGV-KKFJDGPESA-N 456.549 4.532 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CC[C@@H](Br)CC12CC2 2113561152 IXNIRMHRMOBIQS-SNVBAGLBSA-N 498.984 4.586 50 10 JJGE CN(C(=O)c1ccc(Br)cc1Br)[C@H](CCBr)C(F)F 2121996705 SSRIHOHEBGXMLG-SNVBAGLBSA-N 463.942 4.702 50 10 JJGE CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@H]2C[C@H](Br)C2)cc1C(F)(F)F 2196903052 JFBYCYRIEFPXOP-UMSPYCQHSA-N 451.283 4.956 50 10 JJGE O=C(N[C@H](CCl)CC1CCCC1)c1ccc(Br)cc1I 2207267817 NONLKNFVPGNRNZ-LBPRGKRZSA-N 470.576 4.971 50 10 JJGE C[C@H]1[C@@H](Br)C[C@@H](C)CN1C(=O)c1ccc(I)c(Cl)c1 2227594761 OIXYWSBZEAAHRE-YWVKMMECSA-N 456.549 4.579 50 10 JJGE BrCc1cc(Br)ccc1OCCOCCOCCOCc1ccccc1 2227773851 ZWRIUKFVFZHXPH-UHFFFAOYSA-N 488.216 4.973 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(F)c(Br)cc1Cl 2267748051 DJPDQTJIVFJHNX-UHFFFAOYSA-N 487.844 4.878 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1OC 2297623371 CYPXWCHCGRCSMU-SANMLTNESA-N 454.482 4.541 50 10 JJGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1c(F)cccc1Br 2303547741 ZKSVCCRBWHBJCH-AWEZNQCLSA-N 459.153 4.688 50 10 JJGE COc1ccc(Cl)cc1NC=C(C#N)C(=O)Nc1ccc(I)cc1C 2325405874 IXUCVDYEXXIJQW-UHFFFAOYSA-N 467.694 4.720 50 10 JJGE COc1cccc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1OCc1cccc(Cl)c1 2328833312 ONKVKUDGHLAKSF-NRFANRHFSA-N 490.000 4.927 50 10 JJGE COc1ccc([C@@H](Br)c2c(Br)nc(C)n2C)cc1I 2337283329 NIRKPURGOKAMFJ-LLVKDONJSA-N 499.972 4.589 50 10 JJGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 13980342 CETCPSMEJHLWNN-HNNXBMFYSA-N 453.366 4.892 50 10 JJGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 14668003 DSSFHGMINQZASX-NSHDSACASA-N 490.181 4.772 50 10 JJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCC)c(OCC)c2)c(OC)c1 33378392 CFUHTGXWVDQMJY-ODNDISFYSA-N 465.502 4.581 50 10 JJGE O=C(NNc1ncnc(Nc2nc3ccccc3s2)c1[N+](=O)[O-])c1cccc2ccccc12 40645368 YHJJHBIWSQDLBW-UHFFFAOYSA-N 457.475 4.648 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccccc1F 59297550 SKONEVOTIGQKNN-NHDPSOOVSA-N 474.488 4.755 50 10 JJGE COc1ccc(N2C[C@H](C(=O)N/N=C/c3c(OCc4ccccc4)ccc4ccccc34)CC2=O)cc1 59383816 ITLGRQNBBHUJEA-SQNZRPQESA-N 493.563 4.931 50 10 JJGE COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OCc2ccccc2)c(OC)c1 96095898 GKZGGSPNRMZJCX-AFUMVMLFSA-N 469.335 4.809 50 10 JJGE C[C@H](Br)C1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1 235460759 UFKYIHHPNQKXPJ-VIFPVBQESA-N 454.000 4.847 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccc(O)cc2O)cc1 254763263 YNOIFDSUNUXISB-UHFFFAOYSA-N 456.502 4.503 50 10 JJGE CC(=NNC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1cc(Br)ccc1O 254764052 RKVYKNIUNKXHKT-UHFFFAOYSA-N 461.319 4.919 50 10 JJGE CCNc1ccc(C(=O)NN=Cc2cn(-c3cccs3)nc2-c2ccccc2)cc1[N+](=O)[O-] 254866546 LXGWNVMMNFPJLN-UHFFFAOYSA-N 460.519 4.705 50 10 JJGE O=C(CCCCBr)Nc1cc(Br)ccc1I 300984681 SUPXDYUMFNZIFK-UHFFFAOYSA-N 460.935 4.557 50 10 JJGE COc1ccc([C@H](Br)c2sccc2I)c(OC)c1OC 312469647 WYIKNYUJGFXJRM-NSHDSACASA-N 469.138 4.863 50 10 JJGE COc1ccc(Br)cc1[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CI 382711041 YLBFHPMQBHJZOX-BXUZGUMPSA-N 496.183 4.843 50 10 JJGE BrCC(CBr)(CO[C@@H]1CCCOC1)c1ccc(Br)cc1 383657221 PKKPJFPDNLIJGL-CQSZACIVSA-N 471.027 4.672 50 10 JJGE C[C@H]1CC[C@@H](Br)CN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 399375322 UKWBMWYXYIAOFJ-JGVFFNPUSA-N 466.022 4.692 50 10 JJGE Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCC(NC(=O)c4ccoc4C)CC3)c2C)cc1 727332913 MVVWXTCFWKAYRH-KQWNVCNZSA-N 470.573 4.632 50 10 JJGE CC(=NNC(=O)COc1c(C)cc(Br)cc1Br)c1ccc(C)cc1 1084304120 IDGXYQCKUBTKKH-UHFFFAOYSA-N 454.162 4.748 50 10 JJGE COc1cc(C=NNC(=O)CSc2ccccc2C)ccc1OCc1ccc(C(=O)O)cc1 1084467956 FEADKICJGKGGGH-UHFFFAOYSA-N 464.543 4.523 50 10 JJGE CC(C)(C)OC(=O)Nc1ccc(F)cc1NS(=O)(=O)c1ccc(CBr)cc1 1260509560 BSGXAOVPUFNYTA-UHFFFAOYSA-N 459.337 4.868 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccc([N+](=O)[O-])cc2Cl)C1 1614635992 MZHBXZWEZREQPJ-ZWNOBZJWSA-N 466.703 4.634 50 10 JJGE CCN(CC)c1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)cc1 1614701354 DBZPUORFQRLSHN-AEFFLSMTSA-N 458.384 4.918 50 10 JJGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cc(Cl)ccc1O)C(C#N)=C(N)O2 1865688947 FZZXSRZQLQNKAB-SFHVURJKSA-N 457.715 4.520 50 10 JJGE CCCc1nn(C)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696588 IFCNLZNBBNEGKB-DEOSSOPVSA-N 458.562 4.611 50 10 JJGE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705413 VEMVPJIRUNYRKG-VWLOTQADSA-N 480.499 4.816 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(C(=O)O)cc1 1865709190 QSJUPQYHKKQZIV-JOCHJYFZSA-N 466.472 4.654 50 10 JJGE O=C(NCCCl)[C@H](Cc1ccccc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865892674 IWVDJSFMPKJSCW-JTQLQIEISA-N 494.589 4.863 50 10 JJGE CCCN(CCC)c1cccc(C(=O)N[C@@](C)(CC)C(=O)Nc2ccc(SC#N)cc2)n1 1866599383 BDSGQPMBYCPTQT-DEOSSOPVSA-N 453.612 4.818 50 10 JJGE CC(C)(C)OC(=O)N1CC(N(C[C@H](CBr)CC2CC2)OCc2ccccc2)C1 1884742747 AFFKJTTVAJSQKJ-IBGZPJMESA-N 453.421 4.851 50 10 JJGE C[C@@H]1CC[C@@](CBr)(NC(=O)c2scc(Br)c2Br)C1 2074198753 DXCNXLTZDKTFDW-JMCQJSRRSA-N 460.029 4.957 50 10 JJGE O=C(N[C@H]1CCC[C@H]1CCCl)c1ccc(I)c(Br)c1 2090574229 XYPFRFILZAJWJZ-ZANVPECISA-N 456.549 4.581 50 10 JJGE F[C@H]1CCO[C@@H]1CC(CBr)(CBr)c1cccc(Br)c1 2122535260 WAPYMHGBPCNAFY-QWHCGFSZSA-N 458.991 4.994 50 10 JJGE Fc1cc(Br)cc(N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)c1CBr 2170693440 ZLRWMABTJXRCFL-SFTDATJTSA-N 498.234 4.963 50 10 JJGE CCN(C(=O)c1ccc(I)c(Cl)c1)[C@H]1CCC[C@@H]1Br 2224423210 VAHOWWZAYACWLV-GWCFXTLKSA-N 456.549 4.723 50 10 JJGE CC[C@H](C)[C@H](CI)NC(=O)c1scc(Br)c1Cl 2246437395 DLLOSQAETKGZHH-XPUUQOCRSA-N 450.567 4.744 50 10 JJGE COc1cccc([C@@H](CI)OC2CCN(Cc3ccccc3)CC2)c1 2259433408 QPJNNAPOBAQSND-OAQYLSRUSA-N 451.348 4.853 50 10 JJGE C[C@H](Br)[C@@H]1CCCN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295316738 CBQYJRZQYMMZBT-CMPLNLGQSA-N 468.027 4.776 50 10 JJGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 2296835040 PSCPCJIHRJWPLW-XMMPIXPASA-N 489.547 4.750 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)C=Cc2ccccc2Cl)c(Br)c1 2313630206 YBDLXISEFGLUNJ-UHFFFAOYSA-N 465.775 4.640 50 10 JJGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(F)c(Br)cc1F 2320360453 LQFOYYSNIHDFFV-CYBMUJFWSA-N 477.143 4.828 50 10 JJGE CC(C)(CI)CN(CC1CCCCC1)C1CN(C(=O)OC(C)(C)C)C1 2326667022 GZBNFQQTCXCYKV-UHFFFAOYSA-N 464.432 4.949 50 10 JJGE Clc1ccc(CN2C[C@@H]3CCC[C@H](Br)[C@H]3C2)cc1I 2337226177 UWHZMIPYNRXTNN-AVGNSLFASA-N 454.577 4.940 50 10 JJGE COc1c(Br)cc(C)cc1[C@@H](Br)c1c(Br)ncn1C 2337317030 KTUHXRYXQUVJGT-SNVBAGLBSA-N 452.972 4.746 50 10 JJGE CC12CC(C1)[C@@H](CO[C@H](CI)c1ccccc1Br)CO2 2365844782 HCIKTWXVTKHDHQ-KOXVPCQNSA-N 451.142 4.757 50 10 JJGE COc1ccc(N[C@@H](C)C(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)cc1 8683134 QMOIYTIUVMMHAZ-AEIQVQRHSA-N 482.378 4.987 50 10 JJGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/C=C/c1ccccc1 13631757 WMJBOGYFUOGKLD-HWVLTCDVSA-N 452.146 4.714 50 10 JJGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3cc(C)cc(C)c3)nc3ccccn3c2=O)cc1 33722341 UOGNZRHRXCTVET-HKWRFOASSA-N 450.498 4.958 50 10 JJGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(-c2ccco2)cs1 39842868 TVXFYUFPPVHPID-RIYZIHGNSA-N 479.499 4.849 50 10 JJGE Cc1cccnc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825728 JQMDCKSFIXGBFK-NDZAJKAJSA-N 453.502 4.562 50 10 JJGE CCCc1ccc(OCC(=O)N/N=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1 40846357 MQKFMRVQMQHCIP-GNVQSUKOSA-N 461.949 4.739 50 10 JJGE Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(I)c2)cc1 59146908 LUVVEFSJOTZSHK-VULFUBBASA-N 495.320 4.814 50 10 JJGE CN(C(=O)c1cc(Br)cc(Br)c1)[C@@H]1CCCC[C@H]1Br 234334612 NVPQVKFSQNQZOV-CHWSQXEVSA-N 454.000 4.990 50 10 JJGE O=C(NN=Cc1ccccc1OP(=O)(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 254737365 DBJMSNQUEMQDNQ-UHFFFAOYSA-N 485.436 4.667 50 10 JJGE C#CCOc1ccc(Br)cc1C=NNC(=O)[C@H](C)Oc1ccc(OCCCCC)cc1 254854743 QSKWMQYQXIDMIH-SFHVURJKSA-N 487.394 4.948 50 10 JJGE Cc1ccccc1-n1c(SCC(=O)NN=Cc2ccccc2C(F)(F)F)nc2ccccc2c1=O 263628776 DNFOJAYDKJASGS-UHFFFAOYSA-N 496.514 4.955 50 10 JJGE BrCC(CBr)(Cc1cnns1)c1ccccc1Br 310735787 GJCXOTKCRVPLNU-UHFFFAOYSA-N 455.013 4.571 50 10 JJGE C[C@@H](Br)C[C@H]1CCCN1C(=O)c1ccc(I)c(Cl)c1 311395997 ZOKHXDVKGOMIMC-MWLCHTKSSA-N 456.549 4.723 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2cc(Br)ccc2O)C1 394737248 TWOZEPVWCGYBEP-GXFFZTMASA-N 482.156 4.540 50 10 JJGE FC(F)(F)Oc1cc(Br)c(I)cc1CBr 575691636 OGTCSVSHGPJDDP-UHFFFAOYSA-N 459.825 4.847 50 10 JJGE Cc1ccccc1C(=O)NC(=S)[C@@H](C#N)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 616444425 PDSDHUIPXJKBJU-HHHXNRCGSA-O 479.565 4.939 50 10 JJGE C[C@H](Br)C1CCN(c2ncc(C(F)(F)F)cc2I)CC1 686109764 ODVCLEOPMHUQCY-QMMMGPOBSA-N 463.079 4.705 50 10 JJGE BrCc1ccc(N2CC[C@@]3(CN(Cc4ccccc4)CCO3)C2)c(Br)c1 717594458 QMVOAZWRTKTKHR-OAQYLSRUSA-N 480.244 4.825 50 10 JJGE CCOc1cc(C=NNC(=O)CC#N)c(Br)cc1OCc1ccc(Br)cc1 1083904713 OLHMCYPSCXTVKB-UHFFFAOYSA-N 495.171 4.553 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 1084568218 MKZQHTVUHJOXGZ-UHFFFAOYSA-N 463.342 4.833 50 10 JJGE CC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)CSc3ccc(Cl)cc3)cc2)cc1 1540468034 REWFPQGXRWUBIX-UHFFFAOYSA-N 454.935 4.888 50 10 JJGE CCOC(=O)c1c(-c2cccs2)csc1NC(=O)C(=O)Nc1ccc(SC#N)cc1 1860751076 DREAUDXMJYVXAV-UHFFFAOYSA-N 457.558 4.804 50 10 JJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@H]2CC(=O)c3ccccc32)cc1 1867240179 LXBFLBITYAKTAJ-NTKDMRAZSA-N 469.566 4.686 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNS(=O)(=O)c3ccc(C)cc3)n2)c(C)c1C 1872754165 GEIJNJPKVOSZKE-VZCXRCSSSA-N 469.588 4.515 50 10 JJGE C[C@@H]1CC[C@@](CBr)(NC(=O)c2ccc(Br)cc2Br)C1 1880938539 IZVQPHFKNRFWPI-YMTOWFKASA-N 454.000 4.895 50 10 JJGE CC(C)[C@H]1[C@H](NCCSSCCNC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 1987815246 PJWQCHYUYQHGQM-SJORKVTESA-N 463.710 4.516 50 10 JJGE C[C@H]1C[C@@H](Br)[C@H](C)CN1C(=O)c1ccc(Br)cc1Br 2093110550 CRYCGCZYXUEYKG-VDDIYKPWSA-N 454.000 4.846 50 10 JJGE CCC(CC)(CBr)CN=[S@]1(=O)CC[C@H](CNC(=O)OC(C)(C)C)C1(C)C 2106788640 RJWHWCLNOFQEMY-WZQKQDCOSA-N 453.487 4.979 50 10 JJGE O=C(c1sccc1I)N1C[C@@H](Br)C2(CCCCC2)C1 2117746186 MFSMIXDRHSQDFE-LLVKDONJSA-N 454.171 4.523 50 10 JJGE BrCc1c(Br)cccc1N1CC[C@H]2COC[C@@H](C1)N2Cc1ccccc1 2139651539 DLCGQSZFKLXSMK-ZWKOTPCHSA-N 480.244 4.824 50 10 JJGE CC1(C)CC[C@H](Br)CN1c1ncc(C(F)(F)F)cc1I 2156100478 WJXWJXOVABMCBE-VIFPVBQESA-N 463.079 4.847 50 10 JJGE C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(CBr)ccc2Cl)CN1Cc1ccccc1 2179787966 WAQPEJHKDCPVMM-YJBOKZPZSA-N 471.848 4.518 50 10 JJGE Cc1cc(S(=O)(=O)N(C)Cc2ccc(Br)s2)sc1CBr 2179826271 QIZYIKFRUYJCOK-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE Br[C@H](c1cc(I)sn1)c1ccc([C@H]2CCOC2)s1 2223721820 CYZAAMWKUQKVAQ-JVXZTZIISA-N 456.168 4.797 50 10 JJGE Cn1cc([C@H](Br)c2c(F)cc(F)c(Br)c2F)c(Br)n1 2227809869 ZVCKXKLQOOXQFO-QMMMGPOBSA-N 462.889 4.847 50 10 JJGE C[C@@H]1CN(C(=O)c2ccc(Cl)c(I)c2)[C@H](C)C[C@H]1Br 2268344845 MHODLRPPKCYOQW-FXPVBKGRSA-N 456.549 4.579 50 10 JJGE N#CC(C(=O)NCc1ccco1)=C1S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 2293039173 KZYMSZMGRYUBBL-OAQYLSRUSA-N 481.936 4.815 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1CCCC[C@@H]1CBr 2295307893 QHVUMDSPJXCEKK-BXUZGUMPSA-N 468.027 4.824 50 10 JJGE Cc1ccc2nc(Sc3ccc(C=C(C#N)C(=O)N4CCN(c5ccccc5)CC4)o3)[nH]c2c1 2313567718 NENWESNVYWLNND-UHFFFAOYSA-N 469.570 4.871 50 10 JJGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCC(=O)O)c(Br)c2)cc1 2313568519 UDDYNZLCETWGPE-UHFFFAOYSA-N 494.139 4.529 50 10 JJGE CCOc1cc(C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCC(C)C 2314617165 RZOZJEMKMHEKNP-UHFFFAOYSA-N 474.557 4.921 50 10 JJGE C[C@@H](C(=O)Oc1ccc(C=C(C#N)c2cccc(Cl)c2)cc1)N1C(=O)c2ccccc2C1=O 2320506321 HESQJRNCFHNPLV-INIZCTEOSA-N 456.885 4.994 50 10 JJGE CCCOc1ccc(C=CC(=O)NNC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)cc1 2321153334 QFAZLOCIWBYXIX-UHFFFAOYSA-N 451.473 4.598 50 10 JJGE CCc1ccc(-c2ccc(C(=O)NN=Cc3cc(Br)c(O)c(OC)c3)c(C)n2)cc1 2321240868 JPCWTXVUMRGKPO-UHFFFAOYSA-N 468.351 4.860 50 10 JJGE FC1(F)C[C@@H](CBr)N(Cc2ccc(I)c(Br)c2)C1 2325213252 JNTOWXWJFQXWDG-VIFPVBQESA-N 494.943 4.658 50 10 JJGE COc1cc(C)c(Br)cc1[C@H](Br)c1c(Br)ncn1C 2337327862 KEGSQZDXRXIKCR-NSHDSACASA-N 452.972 4.746 50 10 JJGE CC[C@]1(C)[C@@H](Br)CCN1S(=O)(=O)c1cc(Br)ccc1Br 2361895144 JWGKXEOIPBTQQU-QWHCGFSZSA-N 490.055 4.538 50 10 JJGE C[C@@H]1Cc2cc([C@H](Br)c3c(Br)c(Br)nn3C)ccc2O1 2364064773 VRPHSUFGVFATTN-HQJQHLMTSA-N 464.983 4.753 50 10 JJGE O=C1Cc2cc([C@@H](Br)c3ccc(Cl)cc3I)ccc2N1 2365592179 KZEGRGXEPXSFHF-OAHLLOKOSA-N 462.512 4.924 50 10 JJGE CC(C)[C@@H](Br)C(C)(C)CNS(=O)(=O)c1cc(Cl)c(Br)s1 2365861450 MNPRJZCAUZWPCQ-SNVBAGLBSA-N 467.676 4.888 50 10 JJGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 9231652 WJUKQQQXYYHPTD-MRXNPFEDSA-N 485.378 4.719 50 10 JJGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)COc1ccc(Br)c(C)c1 10683531 PSGZMDWTIYIVQH-FOIQADDNSA-N 477.399 4.655 50 10 JJGE Cc1ccc(/C=N/NC(=O)COc2ccc3cc(Br)ccc3c2Br)o1 12491360 VYJSTPLUOIGWGF-ZVBGSRNCSA-N 466.129 4.795 50 10 JJGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c(OC)c2)cc1 31902314 MRISRSGNVSZPGZ-NVMNQCDNSA-N 475.413 4.804 50 10 JJGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 33733432 DUZCEAOYFFRVIR-GPSDDGMOSA-N 475.520 4.707 50 10 JJGE COc1cc(/C=N/NC(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(C(=O)O)cc1 59597129 WSXFTLXKRSECGP-DHRITJCHSA-N 498.333 4.891 50 10 JJGE CN(C(C)(C)CBr)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 128659235 WNIKYXAGIQVNCY-UHFFFAOYSA-N 454.011 4.550 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(C(=O)O)cc1 208499406 MNXLXEGCIDJCTP-HYARGMPZSA-N 452.514 4.540 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2cc(-c3ccccc3)n[nH]2)cc1 254385434 MQUQFJVIHVCCIC-UHFFFAOYSA-N 462.513 4.702 50 10 JJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc3c(c2)OCO3)cc1OC 254852459 YCLWFHHTSCFIAW-UHFFFAOYSA-N 498.491 4.569 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(Cl)nc2)C1 382721715 NSSHRMYNKDEEOE-HZPDHXFCSA-N 456.711 4.522 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2cccc(Br)c2O)C1 394619212 LKWOSVYSBVBWTC-ZYHUDNBSSA-N 482.156 4.540 50 10 JJGE Cn1ncc(Br)c1[C@H](Br)c1c(Br)cc(F)c(F)c1F 693087336 YNSBHEHBTMVEAA-MRVPVSSYSA-N 462.889 4.847 50 10 JJGE Cn1cc(C[C@@H](CBr)Cc2cccc(Br)c2)c(Br)n1 714084368 AAUJNBXPHYJUIT-NSHDSACASA-N 451.000 4.741 50 10 JJGE CC(=NNC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)c1ccc(F)cc1 725441287 MBMNFEQGOAVPOJ-UHFFFAOYSA-N 473.957 4.599 50 10 JJGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 1084080025 GFOPQEQPRKVINB-LJQANCHMSA-N 472.295 4.581 50 10 JJGE Cc1cccc(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)c1C 1858685142 GZZJSGNYNKXUDI-HNNXBMFYSA-N 468.441 4.763 50 10 JJGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)n1 1868480815 UHGXCFFQWGDAMM-UHFFFAOYSA-N 469.574 4.546 50 10 JJGE CC[C@H](N)Cc1cc(Br)c(OC[C@H]2C[C@H]2Br)c(Br)c1 1887907657 IFACXYNAXRBWKJ-OUAUKWLOSA-N 456.016 4.654 50 10 JJGE C[C@]12CN(C(=O)c3scc(Br)c3Br)C[C@@]1(CBr)C2 2046807447 QBDOUGGQFCMKEJ-RYUDHWBXSA-N 458.013 4.520 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1CC[S@](=O)(=NCC2(CBr)CCCCCC2)C1 2106783222 YDAKQCWEWNHICB-AKJBCIBTSA-N 451.471 4.735 50 10 JJGE COC[C@H](C)OC[C@H](Br)CCc1cc(Br)ccc1Br 2118523841 CJYHATPKGRXVMX-GXFFZTMASA-N 459.016 4.959 50 10 JJGE O=S(=O)(c1cc(CBr)c(Cl)cc1Cl)N1CC[C@H](OCc2ccccc2)C1 2123251292 GNEVEOZTKHEKCE-HNNXBMFYSA-N 479.223 4.868 50 10 JJGE O=C(Cc1nc(CCl)cs1)Nc1ccc(Cl)c(I)c1Cl 2150347458 RBEXOQBGZMKDFO-UHFFFAOYSA-N 461.539 4.975 50 10 JJGE CC(C)(CCl)[C@@H]1CCCN1C(=O)c1cc(Br)ccc1I 2155831706 RSHYLPLPHKIKRT-ZDUSSCGKSA-N 470.576 4.923 50 10 JJGE Fc1cc(Br)cc(N2CC[C@]3(CN(Cc4ccccc4)CCO3)C2)c1CBr 2170699545 RTHRXLMFQWLZIH-NRFANRHFSA-N 498.234 4.964 50 10 JJGE CN(C(=O)c1cccc(Br)c1Br)C1(CBr)CCSCC1 2171173478 XBTBRVUWDLGEAC-UHFFFAOYSA-N 486.067 4.944 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@@H](CBr)C12CCC2 2190354112 MYJPMDJCQQBYPX-JTQLQIEISA-N 466.011 4.991 50 10 JJGE CN(C[C@H]1C[C@H](Br)C1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2196931210 DBCBHHQGKSHASI-ZKCHVHJHSA-N 466.022 4.550 50 10 JJGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(F)c(F)cc1F 2277437222 MZCKMKYDNDFGGJ-KRWDZBQOSA-N 450.320 4.714 50 10 JJGE CS(=O)(=O)C1CC([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)C1 2288350526 AEVCBJSELVLFEF-HPPGLBNUSA-N 452.542 4.593 50 10 JJGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCCc3ccccc3)N(c3ccc(F)cc3)C2=O)cc1 2296834972 IDNQIUZWKCILIZ-RUZDIDTESA-N 485.584 4.919 50 10 JJGE C[C@@H](NC(=O)C(C#N)=Cc1cc(Br)c(O)c(Br)c1)c1ccccc1 2297381651 GOWQUYHOIZMVTE-LLVKDONJSA-N 450.130 4.702 50 10 JJGE CC(=O)OCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(C)=C(C#N)C1=O 2314619813 FRZZSBOWRHJRQX-UHFFFAOYSA-N 499.350 4.728 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1cccc(C)c1 2314760302 KBBGQNCAMSCEKO-UHFFFAOYSA-N 488.540 4.975 50 10 JJGE Cc1cc(I)ccc1NCC(=O)N/N=C/c1cccc(Oc2ccccc2)c1 1959747 VQIOHGIGGNNDMI-AFUMVMLFSA-N 485.325 4.954 50 10 JJGE COc1cccc(Nc2nc(Nc3cccc(OC)c3)nc(N(CCCl)CCCl)n2)c1 2196243 BMUVNUBKCWHCOZ-UHFFFAOYSA-N 463.369 4.660 50 10 JJGE COc1cc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)ccc1OCc1ccc(Cl)cc1Cl 20228649 BIHZFTYLICSJDH-OPEKNORGSA-N 490.299 4.959 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@H]1c1ccccc1Br 38678541 TYTXAOKQRQKUIC-HSZRJFAPSA-N 495.304 4.791 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-])c1ccc(Br)cc1 40591506 KIWWDFYOJRKWRM-UHFFFAOYSA-N 498.124 4.955 50 10 JJGE COc1ccc([C@H](C)N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 216491620 OQRSLCYWPCWAKU-QPQZTTLASA-N 480.612 4.687 50 10 JJGE O=c1[nH]c2ccc([C@@H](Br)c3ccc(Br)cc3Br)cc2[nH]1 232454459 LZDJWKCGZFDWIL-CYBMUJFWSA-N 460.951 4.866 50 10 JJGE O=C(NC[C@@H]1CCC[C@H]1CBr)c1cc(Br)sc1Br 232480812 ACJHUIDUKFXKOU-YUMQZZPRSA-N 460.029 4.814 50 10 JJGE CCOc1cnc(C(=O)NN=Cc2cn(-c3cccc4ccccc34)nc2-c2ccccc2)o1 252611718 IMDRGFHWPZUSTP-UHFFFAOYSA-N 451.486 4.843 50 10 JJGE CCCOc1ccc(Br)cc1C=NNC(=O)CSc1nnc(-c2ccccc2)s1 256028467 OIQHCFULQMZGDP-UHFFFAOYSA-N 491.436 4.999 50 10 JJGE C[C@H]1[C@@H](Cl)C[C@H]2CC[C@H]1N2C(=O)c1cc(Br)ccc1I 686175481 GIBHVDFTEXNEFT-LGYCOIBBSA-N 468.560 4.674 50 10 JJGE CCOc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1OC 725379779 RLAFSKQGHGRFCH-RBUKOAKNSA-N 495.357 4.881 50 10 JJGE Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c(C)c1 761400113 GGCWZSPIVNKIEC-FYYJVHHASA-N 481.556 4.866 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)c2ccc(Cl)cc2Cl)cc1 1084047241 ONCMRFYNAGCBON-UHFFFAOYSA-N 463.342 4.833 50 10 JJGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCC#N 1084280134 FNULIDOFDYMCPN-UHFFFAOYSA-N 482.334 4.989 50 10 JJGE COc1cc(C=NNC(=O)c2ccccc2OCc2ccccc2)cc(Br)c1O 1084525785 ACEGTKXPPQLFCD-UHFFFAOYSA-N 455.308 4.506 50 10 JJGE C=C[C@@H](CC(=O)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1ccccc1 1650686351 PNOKKFQVYSHLSN-IBGZPJMESA-N 456.571 4.976 50 10 JJGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2CCC 1865693867 RHHCUALVXWTJBT-QFIPXVFZSA-N 474.561 4.984 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc(Cl)c1O 1865706668 CCJHEADBVSUONJ-IBGZPJMESA-N 450.926 4.792 50 10 JJGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2[N+](=O)[O-])cc1 1865710339 VTLTYHGEQMAHCJ-QFIPXVFZSA-N 465.469 4.674 50 10 JJGE Cc1ccc2c(c1)nc(/C(C#N)=C/c1cc(Br)c(O)c(Br)c1O)n2C 1872727811 BIXHDFIRNOWTMQ-IZZDOVSWSA-N 463.129 4.882 50 10 JJGE O[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@H]1Br 1893037049 ZQFLFMBYZKKTLF-VPGXFDHMSA-N 469.818 4.852 50 10 JJGE O=C(c1cc(I)ccc1Br)N1[C@H]2CCC[C@H]1CC(Cl)C2 1922798115 WBAIIBDYOINBJK-RYUDHWBXSA-N 468.560 4.818 50 10 JJGE CCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Br 1984660709 JOQHXINBOIQIFV-UHFFFAOYSA-N 461.219 4.945 50 10 JJGE CN(C(=O)c1ccc(I)c(Cl)c1)C1CCC(Br)CC1 2103908501 CGZWDFLZEFOXPG-UHFFFAOYSA-N 456.549 4.723 50 10 JJGE CS(=O)(=O)c1csc([C@H](Cl)c2ccc(Br)cc2I)c1 2142276190 AHEHDWQKXOHTFF-GFCCVEGCSA-N 491.597 4.847 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CCC(F)(F)[C@H](CBr)C1 2148751560 QIWNDRSJRJOAJF-MRVPVSSYSA-N 475.953 4.704 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H](CBr)[C@@H](C(F)(F)F)C1 2163353959 SZJDQHNYCJYPTN-FSPLSTOPSA-N 499.972 4.919 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@@H](CBr)[C@@H](C(F)(F)F)C1 2163358465 KPIXFPOKAKUADN-VDTYLAMSSA-N 499.972 4.919 50 10 JJGE C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(CBr)ccc2Cl)CN1Cc1ccccc1 2179787963 WAQPEJHKDCPVMM-CRAIPNDOSA-N 471.848 4.518 50 10 JJGE C[C@]1(CNC(=O)c2cc(I)ccc2Br)CCC[C@@H]1Cl 2271304111 ZPCACEDBFGBYCU-GXTWGEPZSA-N 456.549 4.581 50 10 JJGE C[C@@H](Cl)CN(C(=O)c1cc(Br)ccc1I)C1CCC1 2272425678 JYBGFXDTGXQYRD-SECBINFHSA-N 456.549 4.676 50 10 JJGE CC12COC(CO[C@](C)(CI)c3ccccc3Br)(C1)C2 2281027589 IIRQGWAPTWPBIF-HWOWSKLDSA-N 451.142 4.685 50 10 JJGE COCC12CC([C@H](Br)Cc3cc(Br)cc(Br)c3)(CO1)C2 2295333055 FNYVWZZZZAEUMC-WLYUNCDWSA-N 469.011 4.713 50 10 JJGE N=[S@](=O)(C[C@H]1C[C@H](Br)C1)c1cc(I)ccc1Br 2300843196 ZXAFOULYMHDFIB-WFKSXWRXSA-N 493.002 4.633 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H]2CC[C@H]1C[C@H]2Br 2315493252 INDOYXNRWCDHAR-BKPPORCPSA-N 458.013 4.661 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1[C@H]2CC[C@@H]1[C@@H](CBr)C2 2329071553 OVNCJPRLISQJKW-JIMOISOXSA-N 451.984 4.600 50 10 JJGE COc1cc(-c2csc(C(C#N)=C(O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)c(OC)cc1Cl 2331376882 GCFXNUCEFCQHPM-LBPRGKRZSA-N 495.944 4.958 50 10 JJGE CC(C)(C)N1C[C@@H](Br)[C@H](Cc2cc(I)ccc2Cl)C1 2352416654 XRXHLMOBKIQPSY-DGCLKSJQSA-N 456.593 4.981 50 10 JJGE COc1c(Br)cc(C)c([C@@H](Cl)c2nn(C)nc2Br)c1Br 2365185633 JPWXFRSQVXOKRR-SECBINFHSA-N 488.405 4.748 50 10 JJGE O=C(NC1CCCCCC1)[C@@H](c1ccccc1F)N(Cc1ccc2c(c1)OCO2)C(=O)CCl 3038764 WVYYVQAJNCTYCQ-XMMPIXPASA-N 474.960 4.702 50 10 JJGE O=C(c1cccc(N2C(=O)CCC2=O)c1)N(/N=C/c1ccc(F)cc1)c1nc2ccc(F)cc2s1 9148997 MFWBZTWODQMVIC-CCVNUDIWSA-N 490.491 4.909 50 10 JJGE C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)COc2ccc(Br)cc2Br)C1 12584098 ATIPHOKEMMFTKM-JEEMYIIMSA-N 456.178 4.995 50 10 JJGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 13980340 CETCPSMEJHLWNN-OAHLLOKOSA-N 453.366 4.892 50 10 JJGE N#CC1=C(S)N[C@](O)(c2ccccc2)[C@@H]([n+]2cccc3cc(Cl)ccc32)[C@@H]1c1cccnc1 21946893 AUDZBCDXIBAZOK-USZFVNFHSA-O 471.993 4.614 50 10 JJGE CN(C)c1ccc(NC(=O)C(C)(C)CCl)cc1CN(C[C@@H]1CCCO1)C(=O)c1cccs1 34921661 YVONLSBXEOLNCW-IBGZPJMESA-N 478.058 4.839 50 10 JJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc1OC 38680774 BAHMSBQAIQIOCL-VWLOTQADSA-N 454.482 4.697 50 10 JJGE O=S(=O)(c1cc(Br)ccc1Br)N(CCCBr)C1CCC1 228564231 ZUUUWOFRPUTCSP-UHFFFAOYSA-N 490.055 4.540 50 10 JJGE CCO[C@@H]1[C@@H](Br)C[C@@H]1Oc1c(I)cc(Cl)c2cccnc12 229349416 NJVGTZKDLUBELG-DUFXMDAXSA-N 482.543 4.813 50 10 JJGE CC(=NNC(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 254557653 MIBDXELIIQYHOT-UHFFFAOYSA-N 459.531 4.625 50 10 JJGE O=S(=O)(Nc1ccc(Br)c(I)c1)c1ccc(CCl)cc1 312389423 SOSZISNDWBVAIZ-UHFFFAOYSA-N 486.556 4.593 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 398851789 STYQWVVLKYDJNN-XHNCKOQMSA-N 472.040 4.909 50 10 JJGE BrCC(CBr)(Cc1ncc(Br)s1)C1CCOCC1 713638497 KDABWLZVHKRJRZ-UHFFFAOYSA-N 462.045 4.651 50 10 JJGE Cc1cn(C)nc1COc1c(Br)cc(CBr)cc1Br 723993398 MVNSPAPXHYCYQX-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C 728258736 CTSXWQWHPGUYMU-LFVJCYFKSA-N 472.564 4.891 50 10 JJGE CC(=O)N(C)c1ccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 743714596 HCBFCDUFUMSMGI-XMHGGMMESA-N 472.936 4.646 50 10 JJGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 1084649756 MBGFAYFQMMTYNJ-HXUWFJFHSA-N 492.373 4.531 50 10 JJGE C#Cc1cccc(NC(=S)NNC(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)c1 1633768650 BUFNMTSTDJCORS-UHFFFAOYSA-N 452.486 4.644 50 10 JJGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)cc1OC 1865691426 RUFMWHCNJNQVTQ-IBGZPJMESA-N 475.387 4.626 50 10 JJGE Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3ccccc3OCc3ccc(Cl)cc3)ccc12 1873792688 LGNFQVACWFMUJR-CCVNUDIWSA-N 476.916 4.863 50 10 JJGE C[C@H]([C@@H](Br)c1ccc(OCc2ccccc2)cc1Br)S(C)(=O)=O 1899858705 HOYFRRRGEBDWBY-SJKOYZFVSA-N 462.203 4.897 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](OCCCCCC(F)(F)F)[C@H](I)C1 1900521299 WBPYXHSKSRTLPJ-NEPJUHHUSA-N 451.267 4.549 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@]2(CCC[C@@H]2Br)C1 1918939997 PIJLAYDKFKLDBF-DZGCQCFKSA-N 466.011 4.991 50 10 JJGE O=C(CBr)c1cc(OC(F)(F)F)cc(C(F)F)c1I 2060389012 CQDMWYNMHWZKNB-UHFFFAOYSA-N 458.946 4.705 50 10 JJGE CCN1CCC[C@@H]([C@@H](Br)c2scc(Br)c2Br)S1(=O)=O 2089521148 ZYMYFZFHAXHYDB-WCBMZHEXSA-N 496.084 4.523 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CCSC[C@H]1CCBr 2092334878 XMTOKZPEDDWFGA-SECBINFHSA-N 472.040 4.554 50 10 JJGE CC[C@@H](Br)[C@H]1CCCCN1C(=O)c1ccc(I)c(C)c1 2207108778 QFAZVDWNYNWOTB-UKRRQHHQSA-N 450.158 4.768 50 10 JJGE C[C@H]1[C@@H](Cl)C[C@@H](C)CN1C(=O)c1ccc(Br)cc1I 2227594483 MKBDTDSTXTWUBS-PTRXPTGYSA-N 456.549 4.532 50 10 JJGE CCCN(C[C@@H](C)Br)C(=O)c1cc(I)ccc1Br 2259756985 GWNOOYJJJQNJOD-SECBINFHSA-N 488.989 4.689 50 10 JJGE CCOC(=O)C(C#N)=C1S[C@H](Cc2cccc(C)c2)C(=O)N1c1ccc(Br)cc1 2293039103 CIZOHIQWEIQESR-LJQANCHMSA-N 471.376 4.747 50 10 JJGE Cc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)S(=O)(=O)c1ccc(Cl)cc1 2296544460 JGTYMYKMMSDRDU-UHFFFAOYSA-N 477.929 4.787 50 10 JJGE COc1cc(C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1OCc1ccccc1 2296545371 LNMVNTJTKJKWIQ-UHFFFAOYSA-N 494.551 4.618 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1C 2314611540 WRYXJPQZUPHACD-UHFFFAOYSA-N 466.541 4.857 50 10 JJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)C(C#N)=C2C)cc1Cl 2314617549 CEXIOJJSWSFPFM-UHFFFAOYSA-N 472.932 4.813 50 10 JJGE COCC12CC([C@H](Br)c3sc(Cl)cc3I)(CO1)C2 2316771858 OCKAREAHSXMTCV-VOMCLLRMSA-N 463.562 4.638 50 10 JJGE COc1ccc(CCN(C)C[C@H](Br)COCc2ccccc2)c(Br)c1 2317220228 JOAQPFGRFNHHES-SFHVURJKSA-N 471.233 4.912 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)cc1OC 2331242740 GOYPBGCPZRZSTE-UHFFFAOYSA-N 469.475 4.703 50 10 JJGE CC1(C)CN(Cc2ccccc2)CCN1CCn1c(Cl)nc(Cl)c1CBr 2338156032 YRAWNOPQNHDZQW-UHFFFAOYSA-N 460.247 4.681 50 10 JJGE CN(C(=O)c1ccc(Cl)cc1I)C1(CBr)CCSCC1 2365581742 ITLGXKIVFZLWKO-UHFFFAOYSA-N 488.616 4.677 50 10 JJGE BrCCCN(Cc1ccc(Br)cc1Br)C1CCOCC1 2381144328 QDTOWVGNJLVSPB-UHFFFAOYSA-N 470.043 4.978 50 10 JJGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 14029796 SHKTVQRPUFBLCG-UHFFFAOYSA-N 491.613 4.637 50 10 JJGE O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(OCCc2ccccc2)cc1 14041577 WWRUALFBXLJCNO-UHFFFAOYSA-N 450.538 4.901 50 10 JJGE O=C(NNC(=O)c1ccc(OCCc2ccccc2)cc1)c1ccc(NC(=O)c2ccccc2)cc1 14041615 SMJUAEHBLYTVAO-UHFFFAOYSA-N 479.536 4.635 50 10 JJGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1 14644202 GJAOLKOUJXHLGK-AWEZNQCLSA-N 473.754 4.998 50 10 JJGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2)cc1 38650233 IIUYSBWEPHANHO-QLXKLKPCSA-N 470.525 4.849 50 10 JJGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)cc1OC 38660115 AWGZZHLDUFWWJL-XMMPIXPASA-N 460.486 4.904 50 10 JJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccccc2C(C)(C)C)c(OCC)c1 40867293 DYBCOWRYYJKKGD-XMHGGMMESA-N 451.519 4.837 50 10 JJGE CC[C@@H](CCBr)CNS(=O)(=O)c1cc(Br)c(C)cc1Br 137091346 SCVUUKZGRGZONY-JTQLQIEISA-N 492.071 4.610 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1cc(C)cc(C)c1 206398611 RPOLEZSEAKYZLR-UCQKPKSFSA-N 470.525 4.520 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cccc(C)c1C 206736406 TUQDUPCAANHBQP-BKUYFWCQSA-N 474.513 4.503 50 10 JJGE O=C(NC[C@H]1CCC[C@H](Br)C1)c1cc(Br)c(Br)s1 227754023 WEJCKFNLECWHRM-YUMQZZPRSA-N 460.029 4.957 50 10 JJGE C[C@@H]1CCCN(C(=O)c2cc(I)ccc2Br)[C@H]1CCCl 697196254 ZLIZQPLPFUCQCR-YGRLFVJLSA-N 470.576 4.923 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2F)c(-c2ccccc2)n1 729295123 BWEGPLPOSMXXQL-LFIBNONCSA-N 464.298 4.911 50 10 JJGE C=CCOc1c(Br)cc(C=NNC(=O)[C@H](C)SCc2ccccc2)cc1OC 1084127498 IPCPDCBTSVPIBJ-HNNXBMFYSA-N 463.397 4.795 50 10 JJGE C=CCOc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1CC=C 1084329116 IFFUUPASPQSWCO-NRFANRHFSA-N 457.368 4.706 50 10 JJGE CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(I)o2)c1 1084420331 QCWPCAOCUQZFDA-UXBLZVDNSA-N 487.091 4.591 50 10 JJGE CCc1ccc(-n2c(SCC(=O)/C(C#N)=C3/Nc4ccccc4N3C)nc3ccccc3c2=O)cc1 1087641739 NWFPHYKLADTYRY-QLYXXIJNSA-N 493.592 4.906 50 10 JJGE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNc3ccc(C(C)C)cc3)cc2)cc1 1636645730 YIZQTWBBEUCUBC-UHFFFAOYSA-N 451.548 4.570 50 10 JJGE C=CCNC(=O)c1ccc(NC(=O)NNc2cc(C(F)(F)F)ccc2Br)cc1 1667589842 PPLCGVVSFPDITE-UHFFFAOYSA-N 457.250 4.532 50 10 JJGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1cc(C)ccc1C 1865693945 SEEQATWPFXIOMD-DEOSSOPVSA-N 458.562 4.872 50 10 JJGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1cc(C)ccc1C 1865693947 SEEQATWPFXIOMD-XMMPIXPASA-N 458.562 4.872 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1OC 1865694736 AKHORQPKKZQVEB-JOCHJYFZSA-N 450.926 4.519 50 10 JJGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865710970 MSVMYXMGRXBVTO-NRFANRHFSA-N 487.343 4.732 50 10 JJGE CCOc1ccc(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)cc1OC 1865755813 RCAFLQNOVIOUDB-MKMNVTDBSA-N 465.937 4.592 50 10 JJGE CN(C[C@@H]1C[C@H]1Br)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 1910144152 ULUNIKZRMUZNKY-NWDGAFQWSA-N 462.182 4.652 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](CCl)C2(CCC2)C1 1914531827 PFEHMRIAIXPNJN-LLVKDONJSA-N 468.560 4.535 50 10 JJGE Cc1cccc(C(=O)NCC2CCC(CBr)CC2)c1I 1922690570 QROXQHCQJYPLDC-UHFFFAOYSA-N 450.158 4.531 50 10 JJGE O=C(NC1(CCCBr)CCC1)c1cc(Cl)ccc1I 2140869607 BRUKVXRQLVPHRR-UHFFFAOYSA-N 456.549 4.772 50 10 JJGE CCC[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@H]1CCl 2205704580 RLWKTFCHTHCPNU-VXGBXAGGSA-N 470.576 4.781 50 10 JJGE Cc1cc(C(=O)NCC2(CBr)CC(C)(C)C2)ccc1I 2207104437 GMWCARKCMVYXRL-UHFFFAOYSA-N 450.158 4.531 50 10 JJGE CC1(C)CC(CCl)(CNC(=O)c2ccc(Br)cc2I)C1 2207267738 HWATZMYYDIKCQT-UHFFFAOYSA-N 470.576 4.829 50 10 JJGE CC(C)(C)OC(=O)N1CCC2(CCN(CCCCCI)CC2)CC1 2214705160 OASQQWPDQYRMRO-UHFFFAOYSA-N 450.405 4.705 50 10 JJGE Cc1ccc(I)c(C(=O)N[C@@]2(CBr)CCCC2(C)C)c1 2240904857 CQCCEXRPBOGEMA-MRXNPFEDSA-N 450.158 4.673 50 10 JJGE O=C(N[C@@H]1CCC[C@@H]1CCBr)c1ccc(Cl)c(I)c1 2268349117 ZMFJXYGIQXWXQB-NOZJJQNGSA-N 456.549 4.628 50 10 JJGE CC(C)CN(C[C@H](C)Cl)C(=O)c1cc(I)ccc1Br 2272444327 CRLVOAQMKKKACK-JTQLQIEISA-N 458.565 4.779 50 10 JJGE O=C(N[C@@]1(CBr)C[C@H]2CC[C@H]1C2)c1cc(Cl)ccc1I 2283933743 SBRMMFSFWGVLOB-AMJWSMQMSA-N 468.560 4.628 50 10 JJGE CN(C(=O)Cc1cc(Br)cc(Br)c1)C1(CBr)CCCC1 2295313755 ONOQLFPLBTUPDU-UHFFFAOYSA-N 468.027 4.920 50 10 JJGE C[C@@H]1CCN(Cc2ccc(I)c(Br)c2)[C@H]1CBr 2306219020 HPTUUHJWKVKQRE-RNCFNFMXSA-N 472.990 4.659 50 10 JJGE C[C@H]1[C@H](CBr)CCN1Cc1ccc(I)c(Br)c1 2306220425 XKOOESWABFDBEH-ONGXEEELSA-N 472.990 4.659 50 10 JJGE CCOCCCN1C(=O)C(=Cc2ccc(OCc3ccccc3F)c(OCC)c2)C(C)=C(C#N)C1=O 2314617900 CTNDZBAMTUIGSM-UHFFFAOYSA-N 492.547 4.822 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c(OC)c1 2314776859 RMXPRDZCPGXEOG-QGZVFWFLSA-N 470.953 4.853 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCCC)cc2)c(OC)c1 2314777813 VZRBLKFTRCCAFC-UHFFFAOYSA-N 462.546 4.926 50 10 JJGE CCC[C@H](Br)c1cn(Cc2ccc(Cl)c(I)c2)nn1 2337191648 BQJSWTAKRSJMJV-JTQLQIEISA-N 454.537 4.821 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H](Br)C1)c1ccc(Cl)cc1I 2340054423 MSGPYYNBXSDEDK-NXEZZACHSA-N 456.549 4.628 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCCS(=O)(=O)C1 2365218952 FWLBUNPGPHXQQW-LDYMZIIASA-N 493.030 4.920 50 10 JJGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Br)c1 38651472 XZSLUPXMYXFYID-DEOSSOPVSA-N 491.341 4.960 50 10 JJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1 38658003 YJRLADMDKTZXCB-RUZDIDTESA-N 454.482 4.697 50 10 JJGE COc1ccccc1NC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2C)nc2c(C)cccn2c1=O 39993080 PCYGLOOTIDQPTL-HMMYKYKNSA-N 480.524 4.966 50 10 JJGE Cc1nc2ccccc2n1CC(=O)N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21 59181251 JNHNZIFPLWUIDQ-BLCKFSMSSA-N 473.536 4.565 50 10 JJGE CN1/C(=C(/C#N)C(=O)c2ccc(C(=O)/C(C#N)=C3/Nc4ccccc4N3C)s2)Nc2ccccc21 103451498 ABUCDAXTDNYZBJ-YXHOTNNGSA-N 478.537 4.708 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OC(=O)/C=C/c1ccc(OC(C)C)c(OC)c1 207009348 JEXHDFIUSTWLLS-FTTJZNGKSA-N 478.545 4.541 50 10 JJGE COc1ccc(C(C)=NNC(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c(OC)c1 252587226 WLYUXMDJJAUVDG-UHFFFAOYSA-N 451.910 4.764 50 10 JJGE COc1ccc(Br)cc1C=NNC(=O)c1ccn(Cc2ccc(Cl)cc2Cl)n1 252594873 BWFWMOCKPCBTBM-UHFFFAOYSA-N 482.165 4.773 50 10 JJGE Cc1nn(-c2ccccc2)c2sc(C(=O)NN=C3C(=O)N(CCC(C)C)c4ccccc43)cc12 254770374 BSNJMCSQFSNPJU-UHFFFAOYSA-N 471.586 4.922 50 10 JJGE C[C@@H](Cl)C[C@H]1CCCN1C(=O)c1cc(I)ccc1Br 312011469 RVJAYKSMRGGTPP-MWLCHTKSSA-N 456.549 4.676 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2C[C@@H](Br)CC[C@H]2C1 398751982 WJPHVCMWKZQOQI-AXFHLTTASA-N 466.011 4.847 50 10 JJGE C[C@@]1(CBr)CCCN(C(=O)c2ccc(Br)cc2Br)C1 688136486 QZFVFWPEFSAXBH-AWEZNQCLSA-N 454.000 4.849 50 10 JJGE C[C@H](CCl)[C@H]1CCCCN1C(=O)c1cc(I)ccc1Br 696711249 FYSJWXISCUPQOE-QMTHXVAHSA-N 470.576 4.923 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CCCC[C@@H](CBr)C1 696787449 WXJBECMYOYLLQF-JTQLQIEISA-N 454.000 4.849 50 10 JJGE Cc1cc(C=NNC(=O)CC(=O)NCCc2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 725437720 HGSYLJZECOWYOZ-UHFFFAOYSA-N 471.388 4.600 50 10 JJGE CC(C)(C)c1noc(-c2ccccc2C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)n1 727705562 VECSZGVKEVBZRT-UHFFFAOYSA-N 488.519 4.827 50 10 JJGE Cc1csc([C@@H](C)NC(=O)NNC(=O)c2ccc(COc3ccc(Cl)c(C)c3)cc2)n1 727942375 IGPOCCFFEQQDFP-OAHLLOKOSA-N 458.971 4.698 50 10 JJGE N#C/C(=C/c1cn(CCOc2ccccc2)c2ccc(Br)cc12)C(=O)NC[C@@H]1CCCO1 1084216870 IKYXOXBBIXELBL-CHMLTUNVSA-N 494.389 4.685 50 10 JJGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 1084338807 GVORDVLHZLPPNF-RUZDIDTESA-N 473.529 4.866 50 10 JJGE O=C(NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1ccc(Cl)cc1 1084536955 UJLJLKWNOPTTDV-UHFFFAOYSA-N 482.765 4.826 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865686877 DESWYZXYRDIYJF-XMMPIXPASA-N 464.525 4.839 50 10 JJGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1ccc(Cl)cc1 1865693029 KSUDYUPQFSKASW-NRFANRHFSA-N 464.953 4.773 50 10 JJGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702513 WKDZPVXGURIKFU-IBGZPJMESA-N 469.314 4.563 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)c1OCc1cccc(C)c1 1865705529 YLRVBGCJFABLDA-XMMPIXPASA-N 458.562 4.962 50 10 JJGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4ccncc4)C3)nc(-c3cccnc3)n2)cc1 1868565911 PRANELGDBXOWRE-JOCHJYFZSA-N 467.558 4.828 50 10 JJGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1cccc(I)c1 1914660648 CONFWARBGNZQII-ZDUSSCGKSA-N 458.137 4.717 50 10 JJGE Cc1ccc(C(=O)N(C)C[C@H](Br)COCc2ccccc2)c(Br)c1 1916386488 LOSUOOADXJLKFA-INIZCTEOSA-N 455.190 4.810 50 10 JJGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(I)ccc1F 1961213628 HKMVDWRQIYZTFV-LBPRGKRZSA-N 476.127 4.856 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 2020675514 YHIBWEYIBDAPDI-GOSISDBHSA-N 471.689 4.748 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H](Br)CC12CCC2 2099390993 CNPVSXAMNNKHBK-GFCCVEGCSA-N 451.984 4.744 50 10 JJGE Cn1ncc(C[C@H](CBr)Cc2ccccc2Br)c1Br 2116617836 QRBMDAJUMSPBBR-SNVBAGLBSA-N 451.000 4.741 50 10 JJGE CC(C)[C@H]1[C@@H](Br)CCN1C(=O)c1c(Br)cccc1Br 2126091336 AJPKOWWUYIDHKI-AAEUAGOBSA-N 454.000 4.846 50 10 JJGE CC[C@H]1[C@@H](CCl)CCN1C(=O)c1ccc(Br)cc1I 2142284991 KCDBTHJYFWZSBI-RNCFNFMXSA-N 456.549 4.533 50 10 JJGE C[C@H]1C[C@@H](CCl)CCN1C(=O)c1ccc(Br)cc1I 2142287837 GOGLCVGCTYCHJD-UWVGGRQHSA-N 456.549 4.533 50 10 JJGE CC1(C)CC(CBr)(CNC(=O)c2cc(Cl)ccc2I)C1 2158307029 YLCUEFCFJDGPBE-UHFFFAOYSA-N 470.576 4.876 50 10 JJGE CC(C)(C)OC(=O)NCC1CC([S@@](C)(=O)=NC[C@@H](CBr)c2ccccc2)C1 2192628659 ZBRBKYQCCQHBRR-COEHAYNSSA-N 459.450 4.566 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CC[C@H](Cl)C(F)(F)CC1 2207265164 NUHPIQXJDZQMCM-NSHDSACASA-N 478.502 4.532 50 10 JJGE CCN(C[C@](C)(CI)OC1(C2CCCCC2)COC1)C(=O)OC(C)(C)C 2272935440 PMEBJVAGJYIEPZ-IBGZPJMESA-N 481.415 4.803 50 10 JJGE CC[C@@H](Br)[C@@H](CC)NC(=O)Cc1cc(Br)cc(Br)c1 2277934492 AENKGSWAYUVIHY-CHWSQXEVSA-N 456.016 4.822 50 10 JJGE C[C@H]1CCCN(C(=O)c2ccc(Cl)c(I)c2)[C@@H]1CCBr 2283670050 RBXHNTXMXPWBIK-IINYFYTJSA-N 470.576 4.970 50 10 JJGE COc1ccccc1OCCOc1ccc(Br)cc1C=C(C#N)C(=O)NCc1ccco1 2293366979 JNSPNESWSUHIOR-UHFFFAOYSA-N 497.345 4.732 50 10 JJGE N#CC(=Cc1cccc(OC(=O)c2ccccc2Cl)c1)C(=O)NCc1ccc2c(c1)OCO2 2295672677 PPOVVGPTZSVVLM-UHFFFAOYSA-N 460.873 4.511 50 10 JJGE CC(C)(CBr)CCNCc1ccc(I)c(Br)c1 2306219812 QGMLSKYIMADNMT-UHFFFAOYSA-N 475.006 4.955 50 10 JJGE COc1ccc(CCN2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(F)cc4)cs3)CC2=O)cc1OC 2331343768 RFRRRHBPRADEIF-GOSISDBHSA-N 493.560 4.850 50 10 JJGE O=S1(=O)CCC[C@H]1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2337093715 HVDQRLRYBUXYEY-OIBJUYFYSA-N 454.970 4.861 50 10 JJGE COc1ccc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1COc1ccc(Cl)cc1 10038803 LPTOVSOYXKXQGH-MZJWZYIUSA-N 484.936 4.717 50 10 JJGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2OCCc2ccccc2)cc1 10509348 IOCAPQHWWDOHTB-UHFFFAOYSA-N 459.546 4.512 50 10 JJGE O=C(N/N=C/c1cc(Cl)ccc1O)c1cccc(NC(=O)c2ccccc2Br)c1 20494746 RIUJZHCPNJVZHE-WYMPLXKRSA-N 472.726 4.824 50 10 JJGE COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 31901789 AOAJOSPEVZMIRN-PXNMLYILSA-N 463.377 4.934 50 10 JJGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)c(Oc3ccccc3F)nc12 33363224 MVKCTRWGFMXBPS-AQTBWJFISA-N 495.919 4.926 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@@H]1c1ccc(F)cc1 38652497 CSMOEZCFOPIMPM-QHCPKHFHSA-N 495.304 4.791 50 10 JJGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)c1 38684508 JVIVRXLRUYJFOC-VWLOTQADSA-N 454.482 4.697 50 10 JJGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 39993168 MDPWOUBACRMIMF-NBVRZTHBSA-N 454.461 4.788 50 10 JJGE CCn1c(NNC(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccs2)nc2ccccc2c1=O 46538879 JQNXFSJMBKKFKU-CCEZHUSRSA-N 496.596 4.546 50 10 JJGE C/C(CCc1ccccc1)=N/NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 59383056 JVVFIYGWUKVRQW-OOAXWGSJSA-N 484.021 4.969 50 10 JJGE C[C@@H]1CCCN(C(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)C1 100935276 UALGXJUZIFPPRB-LZJQFABFSA-N 486.086 4.931 50 10 JJGE CCCCCCCCOc1ccc(/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 101341442 QBDABGVTSSAMQP-HAVVHWLPSA-N 496.604 4.980 50 10 JJGE CCC(CC)N(CCBr)S(=O)(=O)c1cc(Cl)c(Br)s1 125891222 HJBCORAQIUYTSF-UHFFFAOYSA-N 453.649 4.738 50 10 JJGE C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)O)C/C=C\C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 169319183 OJCKRNPLOZHAOU-MNKIFKDHSA-N 489.653 4.636 50 10 JJGE COC(=O)COc1ccc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)cc1Br 252602105 FFLHBEKGEIXWLZ-UHFFFAOYSA-N 481.302 4.664 50 10 JJGE CCOC(=O)COc1ccc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)cc1Cl 254593919 QMICIIWECZGGDQ-UHFFFAOYSA-N 450.878 4.945 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccc(O)c(Br)c2)C1 382728189 RYJWEZHEGOFAHW-VXGBXAGGSA-N 482.156 4.540 50 10 JJGE O=C(CBr)c1cc(I)c(C(F)F)cc1Br 575686980 SODXLSPJDTVWQH-UHFFFAOYSA-N 453.846 4.569 50 10 JJGE C[C@@H](Cl)[C@@H]1CCCN(C(=O)c2cc(I)ccc2Br)C1 689044760 VHLWDZYNUNNYKA-NXEZZACHSA-N 456.549 4.533 50 10 JJGE Cn1cc(CC(CBr)(CBr)Cc2ccccc2)c(Br)n1 714090598 YANMHAYEEGTAGX-UHFFFAOYSA-N 465.027 4.744 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)c(-c2ccccc2)n1 914471449 BKPWXVMQVVVBGB-KQQLFIIESA-N 467.529 4.567 50 10 JJGE O=C(NN=Cc1ccccc1OCc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 1084118305 FCHUQZGTFVLGSH-UHFFFAOYSA-N 454.280 4.700 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccccc2OCc2cccc(F)c2)cc1 1084636164 UEZMVURJARUZJZ-DEOSSOPVSA-N 450.510 4.767 50 10 JJGE CC(=O)N1CCC[C@H](CNC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc4ccccc34)c2C)C1 1586568995 UEMGHMIFKCRDBL-BHSKHCGUSA-N 454.574 4.529 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC)ccc1OCc1ccc(C)cc1 1865687958 FAFKIXUMMCIURT-DEOSSOPVSA-N 458.562 4.970 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1 1865694707 ZRGZORROZYXRIH-SFHVURJKSA-N 458.415 4.706 50 10 JJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2cc(-c3ccco3)on2)cc1 1866644447 NLPYHQUIUAQMSG-LJQANCHMSA-N 476.489 4.627 50 10 JJGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCNC(=O)[C@@H]2c2ccc(F)cc2)n1 1868387928 CRLUGFWXSGQERL-QHCPKHFHSA-N 462.554 4.562 50 10 JJGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@H]1C[C@@H]1Br 1887726335 YUUKOTMLKPZOHO-RNJXMRFFSA-N 457.512 4.863 50 10 JJGE C[C@H]([C@H](Br)c1c(Br)sc(Br)c1Cl)S(C)(=O)=O 1923070563 CGUHTTIYOCQSSZ-WUJLRWPWSA-N 475.449 4.796 50 10 JJGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1cc(CCl)ccc1F)Cc1ccccc1 1946826554 IBAHIXHTICCIKR-UHFFFAOYSA-N 461.002 4.887 50 10 JJGE CCN(C[C@](C)(CI)OC[C@H]1C[C@@H]1C1CCC1)C(=O)OC(C)(C)C 2022600326 XWQSXRZPBXWNCO-MDZRGWNJSA-N 451.389 4.890 50 10 JJGE C[C@H]1C[C@H](Br)CCN(C(=O)c2cc(Br)c(Br)s2)C1 2041566438 KJBQHEDMMOQADQ-JGVFFNPUSA-N 460.029 4.909 50 10 JJGE O=C(N[C@@H](CBr)c1cscn1)c1scc(Br)c1Br 2055479396 MBGFNUZIBVXWAZ-LURJTMIESA-N 475.025 4.596 50 10 JJGE CCOc1ccccc1-n1nc(CBr)c(I)c1C(F)(F)F 2079261413 WIZADTDJYOUMCV-UHFFFAOYSA-N 475.046 4.789 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@H]2C[C@H]1CC[C@@H]2Br 2092334467 HZEFRQLFFNTMBX-KKZNHRDASA-N 451.984 4.600 50 10 JJGE CC(C)(C)OC(=O)NCC1(NC(=O)[C@@H](Cl)c2ccccc2)CCN(Cc2ccccc2)CC1 2130843334 NKVHMZQOXBVQGR-QFIPXVFZSA-N 472.029 4.642 50 10 JJGE COc1cc(CBr)cc(Br)c1OC[C@]1(Br)CC1(F)F 2137785404 BPRZDCBJROQXCU-LLVKDONJSA-N 464.926 4.904 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CCC[C@@H]1CCCCl 2142281979 XJPVBJPQBMEAOR-NSHDSACASA-N 456.549 4.677 50 10 JJGE CCCC(CBr)(CCC)CN=[S@@](C)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 2163059319 SARACARSUOHJLH-HHHXNRCGSA-N 468.502 4.533 50 10 JJGE C[C@@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1ccc(Br)c(CCl)c1 2197750962 AYXNXXZLHUFLND-FQEVSTJZSA-N 472.832 4.948 50 10 JJGE O=C(NCc1cccc(CCl)c1)c1ccc(Br)cc1I 2207269491 SLSMIUYWIYBWHJ-UHFFFAOYSA-N 464.528 4.723 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@H](Br)CCC12CC2 2227504453 FVZFBJAARWAHIA-SNVBAGLBSA-N 451.984 4.744 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@H](Br)[C@H]1CC2 2229872971 MCTOIQFZZSQACC-OUJBWJOFSA-N 498.984 4.584 50 10 JJGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccc(Cl)cc3)c(Oc3ccccc3)nc12 2296718457 HCRWXXNMNMJBRY-UHFFFAOYSA-N 477.929 4.787 50 10 JJGE C[C@@H]1CO[C@@](CBr)(Cc2ccc(I)c(Br)c2)C1 2306226913 KMCWJNMDLNSUDY-TVQRCGJNSA-N 473.974 4.786 50 10 JJGE CCOc1c(Br)cc(C=CC(=O)Oc2ccc(C=C(C#N)C#N)cc2)cc1OC 2314785786 MZWOWMHKHUFWQT-UHFFFAOYSA-N 453.292 4.906 50 10 JJGE Cn1nc(Br)c(Br)c1[C@H](Br)Cc1ccc(Cl)cn1 2316718530 UTXYAQYXLBDYSO-MRVPVSSYSA-N 458.379 4.672 50 10 JJGE O=S(=O)(N[C@H](CCCl)COCc1ccccc1)c1ccc(Br)cc1Cl 2320663417 QMVPNXUVSOTRFA-OAHLLOKOSA-N 467.212 4.595 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2C[C@@H](C(F)(F)F)C2)CC1 2327816405 HNUGVJBPGWWVOI-BETUJISGSA-N 477.305 4.796 50 10 JJGE CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3ccc(F)cc3)sc2c1 2329641350 VRRWHPMZIKIIQD-UHFFFAOYSA-N 486.594 4.792 50 10 JJGE O=C(N[C@@H]1CCCC[C@H]1CBr)c1ccc(Cl)cc1I 2340054794 BLTPTCIORWETOP-TVQRCGJNSA-N 456.549 4.628 50 10 JJGE COc1c(F)cc(CO[C@]2(CBr)CCCN(C(=O)OC(C)(C)C)C2)cc1F 2363443424 VKUCOEGXPCTION-IBGZPJMESA-N 450.320 4.655 50 10 JJGE C=CC[C@@]1(CBr)CCCN1C(=O)c1ccc(Cl)cc1I 2365593863 WBTQBHFWBZZBFI-HNNXBMFYSA-N 468.560 4.890 50 10 JJGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@H]1CN(C[C@@H](CBr)C1CCC1)C2 2370173727 AFSYNCKVMIMTHF-GJYPPUQNSA-N 451.396 4.812 50 10 JJGE Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3C)nc3ccccn3c2=O)cc1C 39993161 KZXNLMIWINZRSD-HMMYKYKNSA-N 450.498 4.958 50 10 JJGE CCOc1c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1Br 58889146 YLHLXUVGFGABMK-MTEVNVADSA-N 484.188 4.574 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCc1ccccc1Br 231319631 DFHGJECDPMNAFY-INIZCTEOSA-N 484.172 4.684 50 10 JJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C(C)C)cc3)cc2)cc1OC 254442588 DTRPWZZYDJHENZ-UHFFFAOYSA-N 476.529 4.576 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccc3c(c2)OCO3)cc1 254520694 NGVNGQSOPNHGPU-UHFFFAOYSA-N 468.513 4.821 50 10 JJGE N#Cc1ccccc1OCC(=O)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 254706031 VEXHCHDMIWFEOF-UHFFFAOYSA-N 481.430 4.566 50 10 JJGE Cc1nc(C)c(C(=O)NN=C/C=C/c2ccccc2)cc1C(=O)NN=C/C=C\c1ccccc1 254870853 HLQDVAVUBDKUEJ-SOXUCIOFSA-N 451.530 4.556 50 10 JJGE Nc1ccc(Cl)cc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382723320 OQVYOQWYIOLWFF-WMLDXEAASA-N 470.738 4.709 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H](C)CCCBr)cc1Br 384689535 IDGPNFKRGIELDM-VIFPVBQESA-N 492.071 4.610 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H]2C[C@@H](Br)CC[C@H]2C1 398739849 OTCMGRWYAHMJAQ-TUAOUCFPSA-N 468.560 4.580 50 10 JJGE C[C@]1(CCl)CCCCN1C(=O)c1cc(I)ccc1Br 723003557 NWMGVUJDSURCDC-CQSZACIVSA-N 456.549 4.677 50 10 JJGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NCc5ccccn5)c(C)c43)coc2c1C 1772751534 FIKAZEJSEZPODR-UHFFFAOYSA-N 484.556 4.675 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(Br)o2)c(Br)c1 1772755804 SMDBHTPBAQDRBV-UHFFFAOYSA-N 458.150 4.631 50 10 JJGE COc1ccc(CC(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)c(OC)c1 1858912732 CMQSBIUQVKXZSX-UHFFFAOYSA-N 477.542 4.747 50 10 JJGE CCCc1nn(CC)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688197 MWTFIWVSLFKINW-XMMPIXPASA-N 458.562 4.704 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)c(OC)c1 1865708230 RBUIKXPVUFTXLE-KRWDZBQOSA-N 476.842 4.780 50 10 JJGE CC[C@@H](NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)Nc1ccc(SC#N)cc1 1867047889 RFEFQUNPGOCUJI-HXUWFJFHSA-N 450.589 4.849 50 10 JJGE Fc1cc2c(cc1I)nc(CCl)n2Cc1csnc1Br 1926874641 ZIHQKLOWOFJXKF-UHFFFAOYSA-N 486.535 4.786 50 10 JJGE CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCCSSCCNC(=O)OC(C)(C)C 2010826499 CKSWOKSZSQHNJU-MSOLQXFVSA-N 477.737 4.908 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCC12CCN(C(=O)OC(C)(C)C)CC2 2014116816 OGUKXGVOJBKSRT-QGZVFWFLSA-N 475.721 4.662 50 10 JJGE O=C(NC[C@@H](Br)CC(F)(F)F)c1csc(Br)c1Br 2055497379 NJFKRWCIJDNBSB-BYPYZUCNSA-N 473.934 4.719 50 10 JJGE FC(F)(F)Oc1cc(I)cc(CCl)c1I 2060231282 ATFUEXDVTHWOCI-UHFFFAOYSA-N 462.374 4.533 50 10 JJGE C[C@H]1CC[C@@](CBr)(NC(=O)c2csc(Br)c2Br)C1 2074206268 UADDPPIBRSVGDP-JVXZTZIISA-N 460.029 4.957 50 10 JJGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CCn3ncnc3C2)c1Br 2108969163 LXNSIYXEHXSQQV-XCBNKYQSSA-N 470.028 4.872 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2CCC[C@H](C1)C2Br 2111477789 IBVVOFHYSUYPEL-OQJHAAMPSA-N 472.040 4.909 50 10 JJGE C[C@H]1C[C@H](CBr)CCN1C(=O)c1cc(Br)ccc1Br 2115841310 DORSXSZFGORBBE-VHSXEESVSA-N 454.000 4.847 50 10 JJGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)n(C)c1 2123237462 PKWCWGKWISTNSC-HNNXBMFYSA-N 453.427 4.934 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC2(CBr)CCC1CC2 2178885363 AGPWYMMDQIKDQQ-UHFFFAOYSA-N 466.011 4.991 50 10 JJGE COC[C@H](Br)Cc1sc(Br)c(Br)c1Br 2209976990 OTSKBHLVCSNSRQ-SCSAIBSYSA-N 471.834 4.988 50 10 JJGE C[C@@H]1C[C@@H](Br)[C@@H](C)N(C(=O)c2cc(Cl)ccc2I)C1 2227595835 XJRGLPAOLTVRHI-KBVBSXBZSA-N 456.549 4.579 50 10 JJGE Cc1ccc(I)c(C(=O)N(C[C@@H](C)Br)CC(C)(C)C)c1 2288076441 UAIMYCLPZUITAO-GFCCVEGCSA-N 452.174 4.871 50 10 JJGE CS(=O)(=O)[C@H]1C[C@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288354650 MGBNRRVWNDAVKW-OXOINMOOSA-N 496.993 4.749 50 10 JJGE CS(=O)(=O)[C@H]1C[C@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288354653 MGBNRRVWNDAVKW-VGIXGZPDSA-N 496.993 4.749 50 10 JJGE FC(F)(F)[C@@H](Br)COCc1cc(I)ccc1Br 2302645572 APDCBZNYOQCPPH-VIFPVBQESA-N 487.879 4.896 50 10 JJGE CC(NNC(=O)c1ccccc1Br)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 2313682662 IDGDTRXABKPHSK-UHFFFAOYSA-N 493.336 4.548 50 10 JJGE COc1cccc(NC(=O)C(C#N)=Cc2c(Oc3cc(C)cc(C)c3)nc3c(C)cccn3c2=O)c1 2314531700 CWUPKSVYIYQCBY-UHFFFAOYSA-N 480.524 4.966 50 10 JJGE Cc1ccc2c(c1)nc(C(C#N)=Cc1cc(Br)c(O)c(Br)c1O)n2C 2331018499 BIXHDFIRNOWTMQ-UHFFFAOYSA-N 463.129 4.882 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1OC 2331242460 FBRICTSODBEZEF-GOSISDBHSA-N 461.543 4.669 50 10 JJGE CCN(C[C@@](C)(CBr)OCc1cc(Cl)cnc1OC)C(=O)OC(C)(C)C 2340193971 QVWBPKLDITWKEA-GOSISDBHSA-N 451.789 4.671 50 10 JJGE CCCO[C@@H]1[C@@H](Cl)C[C@H]1OCc1cc(I)ccc1Br 2341838826 SKWMMKOPYHYEIW-BFHYXJOUSA-N 459.549 4.745 50 10 JJGE CC(C)(C)OC(=O)N1CC[S@@](=O)(=NC[C@@](C)(CBr)C(C)(C)C)C(C)(C)C1 2352090220 SGIWHLDTCPVGES-BCHFMIIMSA-N 453.487 4.931 50 10 JJGE COc1ccc(C[C@H](Br)c2c(Br)c(Br)nn2C)cc1F 2364031262 HWUAUOCNSRGOBZ-QMMMGPOBSA-N 470.962 4.772 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1C[C@@H]2CCC[C@]2(CBr)C1 2365596628 AMDSHCKZEXXAPK-BONVTDFDSA-N 468.560 4.582 50 10 JJGE Cc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 12490969 DCMFEACUUHYBAD-UHFFFAOYSA-N 492.167 4.513 50 10 JJGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 14035345 SKDXMLZXQUAJKL-UHFFFAOYSA-N 461.996 4.539 50 10 JJGE CCOc1cc(/C=N\NC(=O)COc2ccc3ccccc3c2)ccc1OC(=O)c1ccccc1 33773384 QGGCHHOMEHWQHY-MIXAMLLLSA-N 468.509 4.987 50 10 JJGE C=CCc1ccc(OCCOc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)c(OC)c1 34805458 WFVVQCXHIFBULA-JWGURIENSA-N 458.514 4.698 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@H]1c1ccc(Cl)cc1Cl 38688268 NYOMDPQMLSPGEF-DHIUTWEWSA-N 495.318 4.957 50 10 JJGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3cccc4cccnc34)c(C)c21 40813237 GLGNFBWZNULCLS-NDZAJKAJSA-N 468.513 4.868 50 10 JJGE CCOC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)CC[C@@H](O)c3ccccc3)c2C)sc(C)c1C 58890530 ACGUAIGTIAYWLG-TVYAFPLLSA-N 481.618 4.913 50 10 JJGE CN(Cc1cc(Br)cs1)S(=O)(=O)c1ccc(CCl)cc1Br 91271709 FIQAQJJQFAHMOH-UHFFFAOYSA-N 473.639 4.833 50 10 JJGE CCCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1 100153718 RCNGQMGCKVGFHO-UHFFFAOYSA-N 477.399 4.947 50 10 JJGE CCCOc1c(Cl)cc(/C=N\NC(=O)c2cccn(Cc3ccccc3)c2=O)cc1Cl 169919651 HIRZIANKKNOBQE-WGARJPEWSA-N 458.345 4.756 50 10 JJGE Cc1cc(Oc2ccccc2)ccc1N(C(=O)CCl)[C@@H](C(=O)N1CCN[C@@H](C)C1)c1cccs1 205187708 QZNZEEVDEXBNPK-UQBPGWFLSA-N 498.048 4.982 50 10 JJGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1 206432983 SRSIATLZKZBTPV-CUBOCRIMSA-N 472.497 4.529 50 10 JJGE CCCOc1ccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc1 254341118 NBNKTCDGSNLGEU-UHFFFAOYSA-N 486.597 4.725 50 10 JJGE N#C/C(=C/c1ccccc1)C(=O)N=C1N=C2C=CC(I)=CN2Cc2ccccc21 254631820 LIMWAYWRTQGEAX-FYJHPUIUSA-N 490.304 4.627 50 10 JJGE O=C(NN=Cc1ccccc1OCc1ccccc1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 254712031 YUAKPZFDUORZNO-UHFFFAOYSA-N 492.535 4.607 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc3ccccc3c2)ccc1OC(=O)/C=C/c1ccccc1 254812697 SVGUVUZGAPSRFW-YKSDROHASA-N 480.520 4.996 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=C/C=C/c3ccco3)n2-c2ccc(C)cc2)cc1 254896859 YPAYYSGACJUCIS-LPSDHVPZSA-N 473.558 4.752 50 10 JJGE C[C@H]1[C@H](I)[C@@H](CI)C[C@@H](C)N1Cc1ccccc1 307490058 AATRYUVDDFYFQU-OSRDXIQISA-N 469.148 4.524 50 10 JJGE CC(=O)N(c1ccc(F)cc1)c1nc(C=NNC(=O)[C@@H](C)Nc2nc3ccccc3s2)cs1 917544467 HGBTZKADOPQUKH-CYBMUJFWSA-N 482.566 4.527 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)c(-c2ccccc2)n1 920297059 GHQNIGWOHUGCIP-QPUOQCKDSA-N 465.557 4.655 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(C)c([N+](=O)[O-])c3)c2C)cc1 1084302590 QJNNUQINFQWZRT-RUZDIDTESA-N 478.549 4.673 50 10 JJGE COc1cc(C=NNC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl 1084538205 XDUZTRAABUKFFT-UHFFFAOYSA-N 490.318 4.809 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)cc1OC 1865694768 BAFBMXHWCOLNBV-NRFANRHFSA-N 450.926 4.714 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)c1 1865712041 ONVPJLKORCJOOY-QGZVFWFLSA-N 460.843 4.830 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)CCc1cc(F)ccc1Br 1905343495 PCDAYILWPWLNFW-LBPRGKRZSA-N 455.121 4.581 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CN(C(=O)OC(C)(C)C)C12CCCCC2 2017324140 UZNVDDOAZXDYCQ-KRWDZBQOSA-N 475.721 4.804 50 10 JJGE FC(F)(F)c1c(I)ccc(CBr)c1I 2060235691 KXTSDWDQAUZNAE-UHFFFAOYSA-N 490.826 4.810 50 10 JJGE O=C(NC[C@@H]1CCCC[C@@H]1Br)c1c(Br)cccc1Br 2094088632 NEYBQTOKKIYVNS-UWVGGRQHSA-N 454.000 4.895 50 10 JJGE O=C(c1cccc(Br)c1Br)N1[C@H]2CC[C@H]1[C@H](CBr)C2 2100992021 QDESYNMUFGDYQQ-AUTRQRHGSA-N 451.984 4.600 50 10 JJGE CN(C(=O)c1ccc(Br)cc1I)C1(CCl)CCCC1 2142288381 RXCQLUCXBYGJRS-UHFFFAOYSA-N 456.549 4.677 50 10 JJGE CN(C[C@@H]1C[C@H]1Br)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(C(F)(F)F)c1 2196913150 CAEIITZBOHBJNK-WCQYABFASA-N 451.283 4.908 50 10 JJGE O=C(NC[C@H]1C[C@H](Cl)C12CCC2)c1ccc(Br)cc1I 2207270304 AIYKLJHARROCLI-RNCFNFMXSA-N 468.560 4.581 50 10 JJGE CC(C)N(C[C@H]1CCCN(CCCCCI)C1)C(=O)OC(C)(C)C 2214705026 MGTHFZUNYUSOTB-KRWDZBQOSA-N 452.421 4.949 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OC2CCC(C(F)(F)F)CC2)C1 2217090087 FIDGAOUZVIZYSC-TYUFSLCMSA-N 463.278 4.547 50 10 JJGE CCN(c1ncc(C(F)(F)F)cc1I)[C@H]1CCC[C@H]1Br 2232617770 KOCZTSJMBPLRRL-KOLCDFICSA-N 463.079 4.847 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CCC[C@@H](CCCBr)C1 2283650754 AZHZOMYHZDMSNT-LLVKDONJSA-N 470.576 4.972 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H]2CC[C@H]1C[C@@H]2Br 2315424527 CIKHKQFPKRYCPA-CSMHCCOUSA-N 458.013 4.661 50 10 JJGE CN(Cc1c(Br)cccc1Br)C1=NC[C@H](CBr)S1 2318205370 HGOUBDFYVTXUPQ-QMMMGPOBSA-N 457.029 4.510 50 10 JJGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)CC1=O 2331286638 SYCFJGFSCHFQDM-ZDUSSCGKSA-N 481.480 4.721 50 10 JJGE CS(=O)(=O)c1cccc([C@@H](Br)c2sc(Cl)cc2I)c1 2338628008 AAJBKKSHXLWVMD-LLVKDONJSA-N 491.597 4.894 50 10 JJGE Cc1sc(C(=O)NCC(F)(F)C(F)(F)CI)c(C)c1Br 2361675870 XDSSZGDRWSLUEW-UHFFFAOYSA-N 488.082 4.563 50 10 JJGE N#C/C(=C/c1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)c1ccccc1 31900080 LSCQIULPLNQLOS-NKFKGCMQSA-N 458.539 4.754 50 10 JJGE O=[N+]([O-])c1ccc(OC[C@H](Br)[C@@H](Br)c2cccc([N+](=O)[O-])c2)cc1 33353116 NQBPCVDHXBOJGT-GJZGRUSLSA-N 460.078 4.782 50 10 JJGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2OC)c1 38658946 VQGXIEIUSSGQQX-DEOSSOPVSA-N 472.497 4.540 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@@H]1c1cccc2ccccc12 38688538 CCRDYMHBYAGHCS-SVBPBHIXSA-N 476.488 4.803 50 10 JJGE CCOc1ccc(-c2csc(/C(C#N)=C\Nc3cc(OC)c(OC)cc3C(=O)OC)n2)cc1 102416025 ZHHULYUHNQDLHT-SSZFMOIBSA-N 465.531 4.989 50 10 JJGE CCn1c(SCC(=O)NN=C/C(Br)=C/c2ccccc2)nnc1-c1ccc(C)cc1 254345807 LETSWLGQMDGFEH-PXWWHBEFSA-N 484.423 4.904 50 10 JJGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2cccc3ccccc23)cc1)c1ccccc1 254738009 CVDWBHLIMVPVNU-UHFFFAOYSA-N 457.555 4.570 50 10 JJGE O=S(=O)(Oc1cc(Br)c(CBr)cc1Br)c1ccccc1 585667387 GNIMHOZOZCTAAA-UHFFFAOYSA-N 484.991 4.874 50 10 JJGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc2c(c1)OCO2 1084083918 YKXWYBIEMUHKHH-DEOSSOPVSA-N 472.541 4.687 50 10 JJGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)C(=O)Nc2ccccc2Br)c1C 1084592802 PAPBXAYNQMGXBV-UHFFFAOYSA-N 467.367 4.562 50 10 JJGE C[C@@H](Oc1cccnc1NC(=O)Nc1ccc(SC#N)cc1)C(=O)Nc1ccc(F)cc1 1858840077 VMKGJEMUUZLQQU-CQSZACIVSA-N 451.483 4.844 50 10 JJGE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684597 SRUQVIGBOUKGKV-LJQANCHMSA-N 455.743 4.874 50 10 JJGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1 1865701903 HSFTVKAIXTZIKX-XMMPIXPASA-N 462.557 4.999 50 10 JJGE CC(C)(C)OC(=O)NC[C@@](C)(CBr)OCc1ccc(F)cc1Br 1994982357 XEVJQDDORZAVCX-MRXNPFEDSA-N 455.162 4.783 50 10 JJGE CCc1nn(C)c(C(=O)N(Cc2ccccc2)C[C@@H](Br)CC)c1Br 2017376075 HDJFGQNCWBCIRR-AWEZNQCLSA-N 457.210 4.561 50 10 JJGE COc1ccc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1CCl 2034752142 RXANVOPRPGEWCH-UHFFFAOYSA-N 473.038 4.757 50 10 JJGE Cc1cc(Br)c(CBr)c(N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1 2053219216 NRAQPSKZLILTOI-QGZVFWFLSA-N 463.217 4.867 50 10 JJGE C[C@@](CI)(OC1C(F)(F)C1(F)F)c1ccccc1Br 2126307630 PHEFDKZYMLPWLS-JTQLQIEISA-N 453.011 4.769 50 10 JJGE CCn1ncc(Br)c1CC(CBr)(CBr)c1ccccc1 2150682366 JCFOYOZGYNIWOF-UHFFFAOYSA-N 465.027 4.936 50 10 JJGE Cc1ccc(-n2c(CCl)nc3cncc(Br)c32)cc1I 2151789088 FPDYVNJJMQEYRE-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE CN(C[C@H](Cl)C1CCCC1)C(=O)c1cc(Br)ccc1I 2167648578 WRZAUQYIYRXCPC-ZDUSSCGKSA-N 470.576 4.923 50 10 JJGE CCc1ccc(S(=O)(=O)N(C)[C@H]2CC[C@H]2OCc2ccccc2)cc1CBr 2179862579 YJGCYUHXYJJCTF-LEWJYISDSA-N 452.414 4.512 50 10 JJGE CC1(C)OCCC[C@@H]1[C@H](Br)c1cc(I)cc2c1OCC2 2187009762 JRYAVFAELNQYIG-ZIAGYGMSSA-N 451.142 4.867 50 10 JJGE Cc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2CCBr)ccc1I 2207104136 QQNNMCVCXAZCMQ-ABAIWWIYSA-N 450.158 4.625 50 10 JJGE O=C(NC1(CCCl)CCSCC1)c1ccc(Br)cc1I 2207258513 GZILMLWTIPGCHZ-UHFFFAOYSA-N 488.616 4.678 50 10 JJGE Cc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2CCBr)cc1I 2232832633 FDRAVTLPPIJULN-DOMZBBRYSA-N 450.158 4.625 50 10 JJGE COc1cc(C=C(C#N)C(=O)Nc2ccc3ccccc3c2)c(Br)cc1OCC(=O)O 2294149861 HTUZDYAOJODJHB-UHFFFAOYSA-N 481.302 4.620 50 10 JJGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCCc2ccccc2)cc1 2296543520 JRHXETXHEBTWPR-UHFFFAOYSA-N 478.552 4.624 50 10 JJGE Cc1ccc(C(=O)N[C@H](CCBr)COCc2ccccc2)cc1Br 2303544906 JVWSWANSKXPBKD-QGZVFWFLSA-N 455.190 4.858 50 10 JJGE C[C@H](Br)CCCN(C)C(=O)c1cc(Br)ccc1I 2314598557 MHIMKEZMGHUQGS-VIFPVBQESA-N 488.989 4.689 50 10 JJGE CCOc1ccc(CCNC=C(C#N)C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1OCC 2324904378 RADFRIMMKHJJTH-DLHGZHJBSA-N 465.638 4.745 50 10 JJGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OC(=O)c4ccc(F)cc4)cc3)nc2c1 2331046374 LTYWTEOOZZPAMB-UHFFFAOYSA-N 469.428 4.544 50 10 JJGE C=CC[C@@H](Br)[C@H]1CCN1C(=O)c1cc(Br)ccc1Br 2335810244 LLSJHSOFIMVAQB-CHWSQXEVSA-N 451.984 4.766 50 10 JJGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1C 12492732 UFWBTHIYTZKMAL-UHFFFAOYSA-N 474.399 4.543 50 10 JJGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(Cl)cc1C 14768572 YMMCFEQPFBPMMX-QFIPXVFZSA-N 452.938 4.699 50 10 JJGE O=C(N/N=C/c1c[nH]c2ccccc12)c1cccc(NC(=O)c2cccc(Br)c2)c1 27520205 VIRJOEWYTNJHSO-VULFUBBASA-N 461.319 4.947 50 10 JJGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3F)nc3ccccn3c2=O)cc1C 39858726 LYZUJLJUDKRZSI-JXAWBTAJSA-N 454.461 4.788 50 10 JJGE Cc1cccc2sc(Nc3ncnc(NNC(=O)c4cccc5ccccc45)c3[N+](=O)[O-])nc12 40650416 PQSBDYVSFZRTCB-UHFFFAOYSA-N 471.502 4.957 50 10 JJGE CC(C)(C)c1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(Br)o1 40912235 GUIZLSYYDXOLMZ-AWQFTUOYSA-N 458.150 4.631 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCC)c(OCC)c2)c(OC)c1 40971365 OECNEGYKDIEPBW-KJNJSDGNSA-N 492.572 4.935 50 10 JJGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)C1=O 101334380 VSZQVTGSGXQZLW-WORIPGKHSA-N 466.541 4.939 50 10 JJGE O=S(=O)(c1ccc(CCCCl)cc1)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 110525213 NHBREHFMXIDZAK-GOSISDBHSA-N 463.962 4.615 50 10 JJGE C[C@H](Br)CCN(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 135768021 XOJFUBQOBZVUAS-ZETCQYMHSA-N 454.011 4.550 50 10 JJGE O=C1NCCCc2ccc([C@H](Br)c3csc(I)c3)cc21 228229447 IHMMGFZRHBGTCY-AWEZNQCLSA-N 462.150 4.513 50 10 JJGE O=C(N[C@H](CCl)c1ccccc1)c1cc(I)ccc1Br 236038989 GNADOVSTRVOHKM-CQSZACIVSA-N 464.528 4.764 50 10 JJGE O=C(NN=Cc1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)c1cc(O)cc(O)c1 254792639 YMMWNPCNRPTLFL-UHFFFAOYSA-N 453.420 4.884 50 10 JJGE ClCCc1nc2cc(I)ccc2n1Cc1coc(Br)c1 378926647 SQTZSWIBNUMGFJ-UHFFFAOYSA-N 465.516 4.826 50 10 JJGE COc1cc(F)c(Br)cc1[C@H](Br)c1cn(C)c(Br)n1 710769113 DCKDIWURDBJECA-NSHDSACASA-N 456.935 4.577 50 10 JJGE C#C[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C)C1CCOCC1 1529522368 UWWCVFMXJDBOEL-PSXBWXLBSA-N 456.373 4.853 50 10 JJGE Cc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1[N+](=O)[O-] 1614696545 ZHNKERDVQKZCCO-ZWKOTPCHSA-N 480.302 4.690 50 10 JJGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697219 PTOPBXLILPDUPI-QHCPKHFHSA-N 462.525 4.647 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1ccc2c(c1)OCCO2 1865697805 CFJASJIVZJTBRY-XMMPIXPASA-N 462.509 4.588 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1ccc2c(c1)OCCO2 1865698456 UJQIZGJCEQVWRM-DEOSSOPVSA-N 480.499 4.727 50 10 JJGE O=C(CBr)c1cc(Br)c(C(F)F)c(I)c1 2054781616 PPQAOOBJVISLFP-UHFFFAOYSA-N 453.846 4.569 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2CC[C@]2(CBr)C1 2078147736 PIRWKKATKQMLSR-MADCSZMMSA-N 458.013 4.520 50 10 JJGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Cl 2123211205 UOYBNLKGMPQXEA-UHFFFAOYSA-N 460.821 4.852 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CCC([C@H](F)CBr)CC1 2163246810 SMFVCNTVDUQLGD-CYBMUJFWSA-N 471.990 4.797 50 10 JJGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)C[C@H]1CCCO1 2179861292 FOTDDHNMESOKOX-LJQANCHMSA-N 472.832 4.913 50 10 JJGE Cc1c([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c(Br)nn1C 2188140485 DWJPLGYUOSJOBX-LBPRGKRZSA-N 464.983 4.673 50 10 JJGE FC(F)[C@@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cncc(Br)c21 2193246198 SFMKLPJWOYUYSF-CZUORRHYSA-N 455.734 4.871 50 10 JJGE Cc1cccc(C(=O)N2CCCC[C@H]2CCCBr)c1I 2206674228 GFCBCOJGIQXDLK-ZDUSSCGKSA-N 450.158 4.769 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](O[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 2217090326 INIGMMCKXUXBLY-WUHRBBMRSA-N 463.278 4.547 50 10 JJGE Cn1nc(Br)c([C@H](Br)c2cc(Cl)c(Br)cc2F)n1 2219806404 MMVQFWLHOGHHAI-MRVPVSSYSA-N 462.342 4.617 50 10 JJGE Cc1ccc(I)c(C(=O)N(C[C@H](C)Br)CC(C)(C)C)c1 2288076442 UAIMYCLPZUITAO-LBPRGKRZSA-N 452.174 4.871 50 10 JJGE O=C(COc1ccc(Cl)c2ccccc12)NN=Cc1ccccc1I 2297707852 SAUYYHDZZGVDNF-UHFFFAOYSA-N 464.690 4.627 50 10 JJGE Brc1cc(I)cnc1N1CC[C@H]2C[C@H](Br)CC[C@H]21 2310757448 JWJMWVWOQUZNEX-YGOYTEALSA-N 485.989 4.591 50 10 JJGE CCCCOc1ccc(C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 2314617195 SMHHZGKKJDTDCN-UHFFFAOYSA-N 474.557 4.718 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1OC 2314634552 HZWMCFDIKOJWGA-NDEPHWFRSA-N 498.535 4.939 50 10 JJGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NCC(C)C)c(=O)oc3c2)cc1 2314751129 ROIHNNQIVLABRP-UHFFFAOYSA-N 488.540 4.870 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCc1ccc(Cl)cc1 2314790192 IJHATMGCCRWUQG-UHFFFAOYSA-N 464.905 4.703 50 10 JJGE CC(C)(CO[C@](C)(CI)CNC(=O)OC(C)(C)C)Cc1ccccc1 2316846237 WSRKKNGSZFJUNW-HXUWFJFHSA-N 461.384 4.990 50 10 JJGE CCN(C[C@@](C)(CI)OCc1ccc(COC)s1)C(=O)OC(C)(C)C 2319547613 DEPIUTLMAPTUNY-GOSISDBHSA-N 483.412 4.862 50 10 JJGE FC1(F)CN(Cc2ccc(Cl)cc2I)CC[C@@H]1CBr 2341049976 MSEFYPAJSPLXHF-SNVBAGLBSA-N 464.519 4.797 50 10 JJGE CC(C)[C@H]1C[C@H](Cl)CN1C(=O)c1cc(Br)ccc1I 2344598588 AIHFYIOXJIEJRG-GXFFZTMASA-N 456.549 4.532 50 10 JJGE COc1ncc(Br)c(C)c1CO[C@H]1CCCCC[C@@H]1I 2368200518 WOUICHUUXXMQFG-KBPBESRZSA-N 454.146 4.814 50 10 JJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2[C@@H](C)CC)cc1 14029057 JITFIXQSRWWGQD-IBGZPJMESA-N 485.650 4.874 50 10 JJGE CCCOc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1Br 14647410 SRIXGZDEGWJAJL-OAHLLOKOSA-N 471.351 4.620 50 10 JJGE O=C(NN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccc(Cl)cc1 15462475 AIZIXFZVGZRPSJ-LJQANCHMSA-N 459.289 4.516 50 10 JJGE COc1ccc(CC(=O)Oc2ccc(/C=C(/C#N)c3ccc(OC)c(OC)c3)cc2OC)cc1 31902058 LFEWFLMKMVRBII-BKUYFWCQSA-N 459.498 4.933 50 10 JJGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)cc1 33422552 WYSROVSRWUJOBB-RGEXLXHISA-N 475.501 4.581 50 10 JJGE C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cccc(/C=C(/C#N)C(=O)N[C@H]2CCCC[C@H]2C)c1 35242046 YEXSDQJWSVTYMB-KVEKBHHKSA-N 458.606 4.890 50 10 JJGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1OC 38650087 CXYFQESXKVDORF-RUZDIDTESA-N 456.498 4.921 50 10 JJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)c1 38659971 OEXKZYBCAZSOLZ-VWLOTQADSA-N 476.916 4.723 50 10 JJGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1 38687144 PBTFMHMZEFMTCW-CLJLJLNGSA-N 482.536 4.948 50 10 JJGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc(C)c1)CCC2 40811411 FWMAASHCRQMXMI-XHLNEMQHSA-N 473.529 4.796 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(OCC)cc3)c2C)cc1 58894514 MFTYUVSHIFJLIP-CUVDRZIWSA-N 463.578 4.855 50 10 JJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21 59160979 KYKWDPDCPIHYJM-QMXTYCMNSA-N 468.340 4.828 50 10 JJGE COc1cc(/C=N\NC(=O)c2ccncc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59462980 MUFNGNUPMJSVFY-ZRGSRPPYSA-N 460.368 4.573 50 10 JJGE COc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Br)cc1 252606343 GRKWWUUBYNXFFB-UHFFFAOYSA-N 484.306 4.709 50 10 JJGE CC(=NNC(=O)c1cc2c(s1)C[C@@H](C)CC2)c1cccc(NS(=O)(=O)c2ccccc2)c1 254790303 BTSKPFXSPASMKW-INIZCTEOSA-N 467.616 4.828 50 10 JJGE Cc1cc(Br)c(NCC(=O)NN=Cc2ccccc2Cl)c(Br)c1 263632139 FMEWPERIJDGREZ-UHFFFAOYSA-N 459.569 4.736 50 10 JJGE CNc1ccccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382734255 WEQCLEHZLLJILK-AEFFLSMTSA-N 450.320 4.516 50 10 JJGE Oc1c(Br)cccc1[C@@H]1CN(Cc2ccccc2)C[C@H]1CI 394777218 FOTUCUBOHXAQJN-GDBMZVCRSA-N 472.164 4.805 50 10 JJGE C[C@H]1CC[C@@H](CCl)CN1C(=O)c1cc(Br)ccc1I 688694127 CSPTVINUUVWDPT-UWVGGRQHSA-N 456.549 4.533 50 10 JJGE Fc1cc2c(cc1I)nc(CCl)n2CC1CN(Cc2ccccc2)C1 716239482 RTBKCJPFYPGUCB-UHFFFAOYSA-N 469.729 4.651 50 10 JJGE O=C(NNC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1ccccc1OCc1ccc(F)cc1 786087711 WTWGXCWVYWAVOV-UHFFFAOYSA-N 498.436 4.684 50 10 JJGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNc1ccc(F)cc1)CCC2 1772750982 RRAZVQHYVLATMT-UHFFFAOYSA-N 454.889 4.608 50 10 JJGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705832 GUGGJBFVZPTTRA-GOSISDBHSA-N 456.289 4.868 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)c(OC)c1 1865707628 BREMKZYDSDUHLR-HSZRJFAPSA-N 450.498 4.775 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865709819 HKMLMEQJKQMJHR-XMMPIXPASA-N 482.515 4.973 50 10 JJGE COCc1cc(Br)c([C@@H](Br)c2c(Br)c(C)nn2C)s1 1877180181 DCBOZZIJJLIRLU-JTQLQIEISA-N 473.028 4.946 50 10 JJGE CC(C)(CI)COCc1ccc(Cl)cc1I 1904662926 GCDJTHBOFULERZ-UHFFFAOYSA-N 464.512 4.922 50 10 JJGE O=C(c1cc(Br)sc1Br)N1[C@H](CBr)[C@H]2CC[C@@H]1C2 2058366713 RAQVKRJCTSMFDP-LKEWCRSYSA-N 458.013 4.661 50 10 JJGE O=C(N[C@@H]1CC[C@@H]2C[C@]21CBr)c1csc(Br)c1Br 2068355072 OHUIFKXMNGZIBF-GFJAWQGPSA-N 458.013 4.567 50 10 JJGE O=C(N[C@H](CBr)C1CCCC1)c1c(Br)cccc1Br 2094090301 GGENMXWOYUEIGD-GFCCVEGCSA-N 454.000 4.895 50 10 JJGE CN([C@@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CCl)c(Br)c1 2100208659 WOSTVZZWWCVCHA-MOPGFXCFSA-N 458.805 4.556 50 10 JJGE FC1(F)CN(Cc2ccc(I)c(Cl)c2)CC[C@@H]1CBr 2142951247 YMONFUQCTVKMEP-SNVBAGLBSA-N 464.519 4.797 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H](CBr)[C@@H](C(F)(F)F)C1 2163358463 KPIXFPOKAKUADN-FSPLSTOPSA-N 499.972 4.919 50 10 JJGE O=C(NCC1CC2(CC[C@@H]2Cl)C1)c1ccc(I)c(Br)c1 2195358173 MRCREZFAVNKNOW-MEXZMNCTSA-N 468.560 4.581 50 10 JJGE CN(C[C@@H]1C[C@@H]1Br)C(=O)c1c[nH]c2cc(Br)c(Br)cc12 2196914043 JJOKSKBFTWUPRQ-XVKPBYJWSA-N 464.983 4.548 50 10 JJGE COc1ccccc1[C@H](CI)OC1CCN(Cc2ccccc2)CC1 2259461835 CAMVLOLCESSPQY-NRFANRHFSA-N 451.348 4.853 50 10 JJGE N=[S@@](=O)(C[C@H]1C[C@@H](Br)C1)c1cc(I)ccc1Br 2300852937 ZXAFOULYMHDFIB-QTDQWHRXSA-N 493.002 4.633 50 10 JJGE COc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314592999 FONUKJKVKOKBKK-QFIPXVFZSA-N 493.972 4.684 50 10 JJGE CC1([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)CS(=O)(=O)C1 2335286575 VEYYNPQIFLFDKW-SNVBAGLBSA-N 454.970 4.766 50 10 JJGE CC[C@@]1(C)[C@@H](Br)CCN1C(=O)c1ccc(I)c(Cl)c1 2336765358 WRSWPFQOVRSFKV-JSGCOSHPSA-N 456.549 4.723 50 10 JJGE CC(C)(C)OC(=O)Nc1cccc([S@](C)(=O)=NC[C@@]2(CBr)CC2(F)F)c1 2351885495 KPRAMSBAJBWSRP-QMTYFTJSSA-N 453.349 4.911 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)NCc2ccco2)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 6177776 GJKONBOSFIRXRL-STZFKDTASA-N 473.533 4.809 50 10 JJGE CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 9872800 UBWDSMMZOOWZAD-GJZGRUSLSA-N 480.392 4.841 50 10 JJGE CC[C@@H](C)Oc1ccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 10292265 GLRVRIYWFQTRIE-OAHLLOKOSA-N 463.372 4.590 50 10 JJGE Cc1ccc2c(O)nc(/C(C#N)=C/c3cc([N+](=O)[O-])ccc3OCC(=O)Nc3ccccc3)nc2c1 35519588 GIIFDCAOAHHYPZ-LDADJPATSA-N 481.468 4.634 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1OC 38658575 OEHKUBCVVUCUQT-HHHXNRCGSA-N 486.524 4.523 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)c1OC 38658855 BRBLAWMVYHBUNE-VWLOTQADSA-N 486.524 4.523 50 10 JJGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1Nc1cccc(Br)c1 40793441 FRJZWOLWYIWQSJ-UHFFFAOYSA-N 468.142 4.629 50 10 JJGE COc1ccc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1OCc1cccc(Cl)c1 98063478 BMAWTNPCLGZBPB-UKWGHVSLSA-N 476.916 4.880 50 10 JJGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(OC)cc1 101241718 RQNXYCDBHVIDHE-ZNCVUUBVSA-N 488.396 4.730 50 10 JJGE O=S1(=O)CCCC[C@@H]1[C@@H](Br)c1cc(Br)ccc1Br 169021689 NPAAVXADTLGDOA-NEPJUHHUSA-N 461.013 4.615 50 10 JJGE O=C(COc1cccc2ccccc12)NN=Cc1ccccc1OCc1ccc(C(=O)O)cc1 263632249 RSNWBYQKMKHGQZ-UHFFFAOYSA-N 454.482 4.646 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CCl)[C@H](c2ccccc2I)C1 382685817 IZXLIHFPEDADFJ-DOTOQJQBSA-N 455.723 4.882 50 10 JJGE Cc1csc([C@@H](C)NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)n1 727669514 MHNUBYFEHJSHLH-ZXMBATIKSA-N 450.955 4.666 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)NC[C@H]2CCN(c3ccccc3)C2)c(-c2ccc(Cl)cc2)n1 915198112 HEHGCAIVVIKOGQ-AREJXAQWSA-N 484.991 4.667 50 10 JJGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)c1 1594436455 APWGXMSKMLOBLV-NRFANRHFSA-N 453.926 4.598 50 10 JJGE COc1ccc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1OC 1772754475 IHFNUOYNZNGWHE-UHFFFAOYSA-N 469.335 4.662 50 10 JJGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)c3cccc(Br)c3)n2)cc1 1860551710 URQGCQUNJDRJRW-UHFFFAOYSA-N 453.321 4.922 50 10 JJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1 1865709515 WYXYJXLEHZEBAZ-MRXNPFEDSA-N 474.826 4.549 50 10 JJGE COc1ccc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 1885382577 IBIIMUYNGCPQBV-UHFFFAOYSA-N 460.393 4.981 50 10 JJGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1CC(Br)C1 1888778431 GXFJQDVAAVDPCH-WTOQYCPUSA-N 471.395 4.593 50 10 JJGE CC[C@H](C[C@@H](C)Br)NC(=O)c1ccc(Br)cc1I 2086154052 QDPRNEICOCIYKS-PSASIEDQSA-N 488.989 4.736 50 10 JJGE C[C@@]1(CCBr)CCN(C(=O)c2c(Br)cccc2Br)C1 2131894660 JDUWZLLWZSWCMN-CQSZACIVSA-N 454.000 4.849 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@@H](CBr)C(F)(F)C1 2146376309 YINKHGIFDPKYED-VIFPVBQESA-N 475.953 4.704 50 10 JJGE BrC[C@@H]1CCc2nc(-c3ncc(Br)cc3Br)ncc2C1 2187361771 UFDSVWHGAKSVNX-MRVPVSSYSA-N 461.983 4.563 50 10 JJGE O=C(O)C=Cc1cc(Br)cc(Br)c1OC[C@H]1C[C@H](Br)C1 2196932618 AKHSYOXOFSDUPA-CZMCAQCFSA-N 468.967 4.862 50 10 JJGE COCCOC[C@H](Cl)Cc1sc(Br)c(Br)c1Br 2216422423 VSLAKTAXQLFCJW-ZCFIWIBFSA-N 471.436 4.849 50 10 JJGE C[C@H]1C[C@H](C(F)(F)F)N(CCCCCI)CCN1C(=O)OC(C)(C)C 2220215475 NVBITEVZFIABEU-UONOGXRCSA-N 478.337 4.854 50 10 JJGE CCN(C(=O)c1cc(Br)ccc1I)[C@H]1CCC[C@@H]1Cl 2224410611 PLDJLNCNOOZXHI-AAEUAGOBSA-N 456.549 4.676 50 10 JJGE C=CC[C@@]1(CBr)CCCCN1C(=O)c1csc(I)c1 2272177961 XRDQLYRBUIDZKM-AWEZNQCLSA-N 454.171 4.689 50 10 JJGE COc1ccc([C@H](Br)C2CC3(CC(OC)C3)C2)cc1I 2284996832 CMJLEDDCDRDFMM-WYDTTWCOSA-N 451.142 4.941 50 10 JJGE COc1cc(OC)c([C@@H](Br)c2csc(I)c2)cc1OC 2289382473 CDLJBKHTXOQHEK-AWEZNQCLSA-N 469.138 4.863 50 10 JJGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccccc2)c1 2296543668 WJOLDWQADMNGJK-UHFFFAOYSA-N 471.538 4.750 50 10 JJGE BrCC1CCN(Cc2ccc(I)c(Br)c2)CC1 2306219966 RSOALSCGAMZVPA-UHFFFAOYSA-N 472.990 4.661 50 10 JJGE COc1ccc(NC(=O)C(C#N)=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 2313511174 ROVYLYODNIDNFZ-UHFFFAOYSA-N 490.428 4.858 50 10 JJGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OCc2cccc(Cl)c2)c1 2328799889 MIAZSIPDFWTDNU-NRFANRHFSA-N 459.974 4.918 50 10 JJGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2cccc(Cl)c2)cc1 2328799937 ZOWQTGQLPLNIRV-NRFANRHFSA-N 459.974 4.918 50 10 JJGE O=C(c1cc(I)ccc1Br)N1C[C@H]2CC(Cl)C[C@@H](C2)C1 2364236686 SKMLMLHSIQDPSW-NXEZZACHSA-N 468.560 4.533 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2cc(C(C)(F)F)ccn2)C1 2381515006 MAXQTECEWBLVLR-LJQANCHMSA-N 496.336 4.915 50 10 JJGE CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)c(O)c1 27519243 CQKDFTXHGVSGQD-JVWAILMASA-N 464.953 4.908 50 10 JJGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Br)cc1 38651576 BHVZNOVCHSKGAX-QFIPXVFZSA-N 477.314 4.895 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@H]1c1ccc(F)cc1 38653265 JTQDIFSBDQZABK-HSZRJFAPSA-N 450.853 4.682 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1cccs1 38656199 ZCXRKWPJALKOBP-IBGZPJMESA-N 453.317 4.948 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1OC 38658331 LOCJJWZQPGWPFM-HSZRJFAPSA-N 462.889 4.795 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1c(F)cccc1Cl 38680349 SVXFDKMICTZYHW-QFIPXVFZSA-N 495.850 4.590 50 10 JJGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NCc1ccco1)[C@@H]2Br 100869355 ANFYVWNUDDZRRJ-ONERCXAPSA-N 484.026 4.582 50 10 JJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3cc(Cl)ccc3Cl)C2=O)cc1OC 101232872 GNNGKRBXUCCOSP-QGOAFFKASA-N 486.355 4.758 50 10 JJGE CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C(C)C)cc1 101240565 IAIBOLAKGBMFON-LBMWUGKUSA-N 484.419 4.745 50 10 JJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(O)c(OCC)c2)sc2c1CC[C@@H](C)C2 209405610 XQGJZQOFXZXWDZ-VQCBNXJZSA-N 454.548 4.700 50 10 JJGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)C(=O)Nc2ccccc2Sc2ccccc2)c1 217243665 ZTBYJVRHUBCZQC-VLGSPTGOSA-N 487.537 4.869 50 10 JJGE O=C(NN=Cc1ccccc1)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 254836981 WUBLGSZCIOEOFF-UHFFFAOYSA-N 483.593 4.842 50 10 JJGE Nc1ccc(Cl)cc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382723319 OQVYOQWYIOLWFF-RHSMWYFYSA-N 470.738 4.709 50 10 JJGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1C#N 725412938 LVAIALKXQKEBHC-HSZRJFAPSA-N 477.948 4.763 50 10 JJGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772750930 CWNCALNMOROSOP-UHFFFAOYSA-N 483.484 4.767 50 10 JJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865684296 WAWFLJUOQFSPSR-HSZRJFAPSA-N 468.488 4.914 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1c[nH]c2ccccc12 1865699811 CXVZSDAPYLGVNJ-SFHVURJKSA-N 453.399 4.789 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)c(OC)c1 1872755591 VLDPJHVEFPIOND-DJUDNFEDSA-N 461.543 4.669 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2CC[C@@H](Br)[C@H]2C1 2027643587 UNOKTJUJIDOEPY-BIIVOSGPSA-N 458.013 4.519 50 10 JJGE CC[C@@H](CCCBr)NC(=O)c1cc(I)ccc1Br 2036514103 QXYJLIOVURZKHC-JTQLQIEISA-N 488.989 4.737 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CC2(CC2)C[C@H]1CBr 2037826675 CKGRIMHZXWSSDQ-ZETCQYMHSA-N 458.013 4.663 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2CC[C@H](C1)C2Br 2048826726 JFFSYXFSQVGCDU-UZRSXYIYSA-N 458.013 4.519 50 10 JJGE CC[C@@H](CCCBr)NC(=O)c1ccc(Br)cc1I 2086145743 QSDNLUACNZBWCS-JTQLQIEISA-N 488.989 4.737 50 10 JJGE Cc1c(Br)c(C[C@@H](CBr)c2ccccc2Br)nn1C 2093835537 TVNIFXDUMZJSQR-JTQLQIEISA-N 451.000 4.975 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](Br)CC12CCC2 2099387047 UZSKUSSVUYGPTJ-JTQLQIEISA-N 498.984 4.586 50 10 JJGE CCCN1CCC[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2)S1(=O)=O 2145782389 UPVURFLZBJSARY-NHCUHLMSSA-N 452.414 4.906 50 10 JJGE COC1CC(CC[C@H](Br)c2cc(I)cc3c2OCC3)C1 2160944794 UGVUIXIELSLZKD-KHXKVGHRSA-N 451.142 4.867 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CCCC[C@H]1CBr 2277930728 VFMXTMLRERCTMG-ZDUSSCGKSA-N 454.000 4.530 50 10 JJGE CC[C@H](C[C@@H](C)Br)NC(=O)Cc1cc(Br)cc(Br)c1 2277935569 PXOGTPFYMQAPQJ-NOZJJQNGSA-N 456.016 4.822 50 10 JJGE CC1(C)C[C@@H](CBr)CN(C(=O)c2ccc(Cl)c(I)c2)C1 2283655838 KMQBCSZIFLXAMV-JTQLQIEISA-N 470.576 4.828 50 10 JJGE N#CC(C(=O)NCc1ccco1)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 2293039141 IDOYFWYOZMMFSU-NRFANRHFSA-N 481.936 4.815 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@@H](Br)CC(F)(F)F 2295312072 SSACBTGIOVZIBT-JTQLQIEISA-N 481.932 4.586 50 10 JJGE N#CC(C(=O)NCc1ccco1)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 2296834936 DMJDLZHLYSTYBE-OAQYLSRUSA-N 481.936 4.815 50 10 JJGE CC1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CS(=O)(=O)C1 2299505342 WDLPSMHUEGVYJW-KRWDZBQOSA-N 474.214 4.899 50 10 JJGE O=S1(=O)CC[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299529423 BKLUDEZASCDWJY-KBXCAEBGSA-N 474.214 4.899 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H]2CC[C@H]1C[C@H]2Br 2315424528 CIKHKQFPKRYCPA-GJMOJQLCSA-N 458.013 4.661 50 10 JJGE CN([C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12)S(=O)(=O)c1csc(CBr)c1 2357090936 DXUXZLLBIPPWIF-JSJNYSNDSA-N 470.454 4.647 50 10 JJGE O=C(c1ccc(Cl)cc1I)N(CCBr)c1ccccc1 2365589604 XLMPXLWZGQLNLV-UHFFFAOYSA-N 464.528 4.986 50 10 JJGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)CCC(=O)Nc1ccc(C)cc1C 10683064 KALCTRXJGUAPSR-AVRDEDQJSA-N 453.583 4.541 50 10 JJGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 14031878 XSQFTVDCZNZIAR-GOSISDBHSA-N 479.602 4.512 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)c1 38650183 NVFBNZZABVZHET-XMMPIXPASA-N 462.889 4.551 50 10 JJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1 38683633 IWNYHELYNYPMPV-QFIPXVFZSA-N 460.873 4.564 50 10 JJGE Cc1ccnc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)c1 40813492 WXNHCLLNDKRWHE-JVWAILMASA-N 481.896 4.576 50 10 JJGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 40844442 RVPMXAHATWXUOE-UHFFFAOYSA-N 461.946 4.802 50 10 JJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(F)c(F)c1 59261929 GDMWCAQYWIRNMQ-YOGAUDJFSA-N 490.967 4.639 50 10 JJGE C/C(N)=C(\C#N)C(=O)CSC1=N/C(=C\c2ccc(C(C)C)cc2)C(=O)N1c1ccc(C)cc1 104386236 SSJXGNRWJVKUAZ-JTYGVNNCSA-N 458.587 4.921 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CCC[C@@H](CCCl)C1 236039352 OQVOILRQJIMALR-JTQLQIEISA-N 456.549 4.535 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1Cl 254308190 PQJBXDPOSKNPQM-UHFFFAOYSA-N 473.312 4.750 50 10 JJGE CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)C(=NNC(=O)c3ccc4ccccc4n3)c3ccccc32)C1 254412278 MDLPSNBGVDNIDV-AFJIDDCJSA-N 481.600 4.574 50 10 JJGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)ccc1O 254441795 OALWAKFNABZJKR-UHFFFAOYSA-N 487.585 4.589 50 10 JJGE CC(C)C(=O)[C@H](Br)Cc1cc(I)ccc1Br 300885316 AIMLKVJDYSIIJB-LLVKDONJSA-N 459.947 4.585 50 10 JJGE Cc1cccc(C(=O)N2CCCC[C@H]2C[C@H](C)Br)c1I 312410428 RNQFQWNXTNPTGQ-STQMWFEESA-N 450.158 4.768 50 10 JJGE ClCc1nc2cc(I)ccc2n1Cc1ccc(Br)o1 380931485 VIGQKHMMQMSLMS-UHFFFAOYSA-N 451.489 4.784 50 10 JJGE C[C@@H]1CCCN(C(=O)c2ccc(I)c(Cl)c2)[C@@H]1CBr 688677684 CLKPORGLPWDLRS-NOZJJQNGSA-N 456.549 4.580 50 10 JJGE Cc1cn(C)nc1CC(CBr)(CBr)c1ccc(Br)cc1 723935638 RRTBBSSXIITLQK-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE O=C(NN=Cc1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1cccc(Cl)c1 1084408214 AMQGNRXRKQIOBQ-UHFFFAOYSA-N 486.753 4.770 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CCl)[C@H](c2ccc(Br)c([N+](=O)[O-])c2)C1 1614620875 FHNNJNNYPWOVRI-HOTGVXAUSA-N 453.720 4.948 50 10 JJGE CC(C)c1ccc(OCC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 1772752443 MRCTXKCRWWZQTE-UHFFFAOYSA-N 461.949 4.910 50 10 JJGE COCCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)C)n2)C[C@@H]1C 1868231378 FIGZLPWKHVIBAI-OALUTQOASA-N 454.644 4.852 50 10 JJGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1CC(Br)C1 1888778430 GXFJQDVAAVDPCH-LGHDPPOTSA-N 471.395 4.593 50 10 JJGE Cc1c(Br)sc([C@H](Br)[C@@H]2CO[C@H]3COC[C@H]23)c1Br 2040327896 ZWSZAVDTVBGWIJ-BDNRQGISSA-N 461.013 4.679 50 10 JJGE CCCN1CC[C@H]([C@H](Br)c2cc(Br)sc2Br)S1(=O)=O 2089535754 OAONNAQDGXDIAR-PSASIEDQSA-N 496.084 4.523 50 10 JJGE F[C@H]1CCO[C@H]1CC(CBr)(CBr)c1cccc(Br)c1 2122535261 WAPYMHGBPCNAFY-STQMWFEESA-N 458.991 4.994 50 10 JJGE CCn1cc(Br)c(COc2ccc(Br)c(CBr)c2)n1 2124750990 UPKSAOZVAAGYCQ-UHFFFAOYSA-N 452.972 4.902 50 10 JJGE CCC(CC)[C@@H](Cl)CNC(=O)c1ccc(Br)cc1I 2142285856 VPJGGWVJQDHOMJ-LBPRGKRZSA-N 458.565 4.827 50 10 JJGE COc1cc(C[C@H](Br)c2ccc(Br)cc2I)ncn1 2142285950 WVKQECLDGDGQNN-NSHDSACASA-N 497.956 4.531 50 10 JJGE C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Cl)c(CBr)c2)CN1Cc1ccccc1 2179793290 RPRMWPODLARGLS-YJBOKZPZSA-N 471.848 4.518 50 10 JJGE O=C(O)C=Cc1cc(Br)c(OCC2CC(Br)C2)c(Br)c1 2196931763 LVNCIGMYPKTDEU-UHFFFAOYSA-N 468.967 4.862 50 10 JJGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)Cc1ccc(Br)cc1 2210632719 HVWORAZGOKWLNF-AWEZNQCLSA-N 461.219 4.565 50 10 JJGE CCc1cc([C@H](Br)c2cnn(C)c2I)sc1Br 2248006526 ZQYIARYBQLCJPV-SECBINFHSA-N 490.002 4.895 50 10 JJGE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(CCCCI)CC2 2248241480 OEDWCPXDBYSQRS-INIZCTEOSA-N 450.405 4.559 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CCCC[C@H]1CCBr 2268359613 UMXTWJRLXWTHBF-NSHDSACASA-N 456.549 4.724 50 10 JJGE BrCc1cnc(Oc2cc(Br)cc(I)c2)nc1 2301070584 DUOPJZHNZIFSHS-UHFFFAOYSA-N 469.902 4.531 50 10 JJGE CC(C)(C)[C@H](CBr)NCc1ccc(I)c(Br)c1 2306223629 HQTKWIDWNMQVGQ-LBPRGKRZSA-N 475.006 4.953 50 10 JJGE O=C1NC(=O)N(c2cccc3ccccc23)C(=O)C1=Cc1ccc(N(CCCl)CCCl)cc1 2313547809 CKNBSEUQMQYTRB-UHFFFAOYSA-N 482.367 4.790 50 10 JJGE Cl[C@@H]1C[C@H]2CC[C@H]1[C@H](NCc1ccc(I)c(Br)c1)C2 2349831703 NTMZUOABJCOTAV-ZTYOMDHBSA-N 454.577 4.939 50 10 JJGE CCC[C@@H](Br)c1cn(Cc2ccc(I)c(Br)c2)nn1 2349921015 OQSTUBDOFYRXAA-SNVBAGLBSA-N 498.988 4.930 50 10 JJGE CCCO[C@H]1[C@@H](OCc2cc(I)ccc2Cl)C[C@H]1Br 2352249797 YRMGSQUNCISMTH-KWCYVHTRSA-N 459.549 4.792 50 10 JJGE C[C@H]1CC2CC(CO[C@H](CI)c3ccccc3Br)(C2)O1 2368121601 VHGJTMAXZGKRLG-RRFBRVDKSA-N 451.142 4.899 50 10 JJGE COc1cccc(CN2c3ccccc3C3=C([C@H](c4ccc(C)cc4)C(C#N)=C(N)O3)S2(=O)=O)c1 20132070 MWAAUHDJRZTGQZ-XMMPIXPASA-N 485.565 4.530 50 10 JJGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccccc1F)c1nc3cc(Cl)c(Cl)cc3nc12 33366335 YPSBFRNPPODHNM-RPWUZVMVSA-N 487.362 4.866 50 10 JJGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccs2)ccc1Cl 38656497 JICLSOJQCPGTMN-QFIPXVFZSA-N 452.919 4.913 50 10 JJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1 38658165 FROWZVUYNNRLHD-WGDIFIGCSA-N 486.499 4.982 50 10 JJGE O=S(=O)(c1cc(Br)ccc1Br)N1CCCC[C@H]1CCBr 160429961 GIMZURYMAWMRSU-NSHDSACASA-N 490.055 4.540 50 10 JJGE CCOc1ccc(CCN/C=C(/C#N)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1OCC 217203095 NFMYFSSDZRSYQH-BZSPEZQHSA-N 461.606 4.780 50 10 JJGE CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1I 303741441 NGQMGHJQJKNJQJ-NQNKBUKLSA-N 451.389 4.887 50 10 JJGE COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)c1Cl 382696086 BAURDLOCJVQSBT-AAEUAGOBSA-N 451.732 4.734 50 10 JJGE CC[C@H]1[C@@H](CBr)CCN1C(=O)c1scc(Br)c1Br 705423052 CWNAYXHGYQQONI-APPZFPTMSA-N 460.029 4.909 50 10 JJGE CN(C[C@H]1CCC[C@@H]1Br)C(=O)c1cc(Br)cc(Br)c1 708325010 FGSINMDRWTYORT-RNCFNFMXSA-N 454.000 4.847 50 10 JJGE O=C(NN=C(/C=C\c1ccccc1)/C=C\c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 1084111441 KDOVEMDATATEFM-XSYHWHKQSA-N 458.430 4.721 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OC 1084432676 HLHVKDTUJVAECP-LICLKQGHSA-N 468.351 4.604 50 10 JJGE Cc1cccc(NCCCC(=O)NN=Cc2cc(Br)cc(Br)c2O)c1 1084574497 RJZRKHBPBBYNQH-UHFFFAOYSA-N 469.177 4.568 50 10 JJGE O=C(NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1ccccc1Cl 1084620081 LPBPCLPAONOTOO-UHFFFAOYSA-N 486.728 4.923 50 10 JJGE C=CCN1CCC(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)CC1 1144417824 KACGDIZQSYRAHO-XSFVSMFZSA-N 456.512 4.787 50 10 JJGE C[C@H](COc1ccccc1F)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 1321947235 AVQXUIJBWYKPKE-HNMKQIAWSA-N 477.927 4.747 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccccc2)C(C#N)=C(N)O3)cc1 1865680441 KZALBKPLVRTMFR-QHCPKHFHSA-N 452.489 4.964 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)ccc1OC(C)C 1865696875 SRGGFRTVGGFPKX-QFIPXVFZSA-N 450.926 4.848 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865709882 JIMFHIAWTGBLSK-JOCHJYFZSA-N 465.469 4.674 50 10 JJGE CC(C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)OCO3)cs1)N1C(=O)c2ccccc2C1=O 1872752533 IGXYCHSAWBHXCT-DGNXNODXSA-N 473.510 4.652 50 10 JJGE C[C@H]1CC[C@@](CBr)(NC(=O)c2c(Br)cccc2Br)C1 1880882671 PUIYUBRBJJQZEM-LKFCYVNXSA-N 454.000 4.895 50 10 JJGE O=C(c1cccc(F)c1I)N(CCCBr)Cc1ccccc1 1914605447 JQCARIZXJPCQAR-UHFFFAOYSA-N 476.127 4.858 50 10 JJGE COc1cc(F)c(Br)cc1[C@H](Cl)c1cc(I)sn1 2056487414 LCBJTZIKIOWCMC-NSHDSACASA-N 462.509 4.986 50 10 JJGE CCC[C@@H](Cl)c1cn(-c2cc(I)cc(I)c2)nn1 2057427170 NPBOTGLNGYKDGK-LLVKDONJSA-N 487.510 4.557 50 10 JJGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br 2059265503 WLJSNYURJDAJBC-UHFFFAOYSA-N 495.233 4.555 50 10 JJGE CCc1nc(C(=O)N[C@H](C)CCCCCI)c(Br)s1 2117882743 QHABTDXECWPFRB-SECBINFHSA-N 459.191 4.582 50 10 JJGE O=S(=O)(N[C@@H](CBr)c1ccsc1)c1cc(Cl)c(Br)s1 2119045578 PECLGOSPDFOUOY-QMMMGPOBSA-N 465.641 4.640 50 10 JJGE CN(C(=O)c1cccc(Br)c1Br)[C@H](CCBr)C(F)F 2122008330 HFDFCZSLZQPYLJ-SECBINFHSA-N 463.942 4.702 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1ccc(Br)cc1Br 2204561725 GWMUIKWNVOIQQC-VWBVRBGYSA-N 466.011 4.894 50 10 JJGE CC(C)(C)OC(=O)NCC(F)(F)[C@@H]1CCCCN1CCCCCI 2214707676 FBWQAHFKUKAIFB-AWEZNQCLSA-N 460.347 4.606 50 10 JJGE CO[C@@H]1CC([C@@H](Br)Cc2cc(Br)cc(Br)c2)C[C@H]1OC 2295329726 LZUBKMWKTPYOCN-RRFJBIMHSA-N 471.027 4.958 50 10 JJGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C(C#N)=Cc1ccc(O)c(OC)c1 2296833284 UBTXIXBXVYJYLH-UHFFFAOYSA-N 478.526 4.860 50 10 JJGE COc1ccc(CCN2C(=O)C(=CNc3ccc(Cl)c(Cl)c3)C(C)=C(C#N)C2=O)cc1OC 2314585548 DIXKGUJEKBRAPF-UHFFFAOYSA-N 486.355 4.758 50 10 JJGE FC(F)(F)[C@@H]1C[C@@H](Cl)CCN1c1ncc(I)cc1Br 2336386592 FVERUCNVVVYPPM-RCOVLWMOSA-N 469.470 4.587 50 10 JJGE CN(Cc1c(Br)c(Br)nn1C)c1nc(Cl)c(CBr)s1 2338947001 JJVPYIAQYBDLBU-UHFFFAOYSA-N 493.450 4.586 50 10 JJGE Cc1nc(Br)c([C@H](Br)c2cc(Br)cc3c2OCC3)n1C 2362482940 KLQZUUFXROYYJW-LLVKDONJSA-N 464.983 4.673 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(C[C@]3(CBr)CC3(F)F)C2)C1 2379981062 CPMYMQUKCJUGEY-TXPKVOOTSA-N 451.396 4.766 50 10 JJGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(C#N)=C\c2ccc(C(C)C)cc2)c(OC)c1 34896132 PMKKFLZTYRICAT-BWENGSMDSA-N 455.514 4.540 50 10 JJGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OC)c(OC)c1 38658648 OKRXEFCJUWVWJF-VWLOTQADSA-N 472.497 4.540 50 10 JJGE COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)c1 39858799 GSGKDMUXUJWSIN-RGEXLXHISA-N 466.497 4.658 50 10 JJGE O=C(NNc1ncnc(Nc2ccccc2F)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40627685 YXSQJJLYQWMLAU-UHFFFAOYSA-N 458.453 4.543 50 10 JJGE CCn1c(C)nc2cc(C(=O)N/N=C(/C)c3ccc(OC)c(CSc4ncccn4)c3)ccc21 96682415 BTINVDVCAMHWIF-MWLSYYOVSA-N 474.590 4.610 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CCC[C@@H](CCBr)C1 161199477 QWLGAXPXDNXKMN-JTQLQIEISA-N 454.000 4.849 50 10 JJGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1 206272278 RAIXTCMHASXUDQ-HKWRFOASSA-N 494.573 4.817 50 10 JJGE Nc1ccc(Cl)c([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1 382697131 SSLQQRUCTSECCY-WMLDXEAASA-N 470.738 4.709 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CCC(CCBr)CC1 400957744 JZZVBAIGJLKRPD-UHFFFAOYSA-N 460.029 4.910 50 10 JJGE CCn1cc([C@@H](Br)c2cc3c(cc2Br)OCC3)nc1Br 698415125 BFHGCXLHSNAHSA-ZDUSSCGKSA-N 464.983 4.847 50 10 JJGE Cc1ccc(C(CBr)(CBr)Cc2cn(C)nc2Br)cc1 714088926 KTQZXHJFMRCKMC-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE COc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c(OC)c1 1083915661 GTDCITFUTDCPGN-UHFFFAOYSA-N 489.359 4.507 50 10 JJGE C#C[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C)C1CCOCC1 1131258254 WSXCTFRVTAVDJG-BXDIUNCMSA-N 455.480 4.565 50 10 JJGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccn2)CCC3)cc1 1772748050 XRLLGXVTUTWUIG-UHFFFAOYSA-N 460.534 4.885 50 10 JJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)cc1OCC 1865688142 KNAKGUBJNAXFET-RUZDIDTESA-N 458.562 4.954 50 10 JJGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccccn1 1865694411 XWVCSNSRKBZCRU-JOCHJYFZSA-N 465.513 4.560 50 10 JJGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cn(C)c3ccccc13)C(C#N)=C(N)O2 1865699663 ZJXXBJGMDDAFOD-OAQYLSRUSA-N 474.362 4.907 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1 1865713101 QSFFSRREEFUQRQ-MRXNPFEDSA-N 491.267 4.880 50 10 JJGE Cc1cc(Br)c(C(=O)N[C@@H](CCBr)COCc2ccccc2)s1 1902796253 KFHPBYIMQVHBPS-AWEZNQCLSA-N 461.219 4.919 50 10 JJGE CC1(C)[C@@H](CBr)CCN1C(=O)c1cc(Br)c(Br)s1 2034127628 XJVOCMNKPJEPRI-SSDOTTSWSA-N 460.029 4.909 50 10 JJGE COCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2059289970 WEEFYPGYKNPSHB-UHFFFAOYSA-N 467.212 4.726 50 10 JJGE CC(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1cc(Br)sc1Br 2062177107 BJADCMAMRRKFFM-WCBMZHEXSA-N 460.029 4.907 50 10 JJGE COc1ccc(C)c(Cn2nc(CBr)c(I)c2C(F)(F)F)c1 2079251718 XHONAFUMENPTIS-UHFFFAOYSA-N 489.073 4.767 50 10 JJGE C[C@H]1C[C@@H](CCl)CCN1C(=O)c1cc(Br)ccc1I 2115836897 PACSOURSCWTFRM-UWVGGRQHSA-N 456.549 4.533 50 10 JJGE O=S(=O)(c1ccc(CBr)cc1Cl)N1CCC[C@@H](OCc2ccccc2)C1 2129813546 CTMVYJDANGQMPU-QGZVFWFLSA-N 458.805 4.605 50 10 JJGE Cc1ncc(CC(CBr)(CBr)c2ccccc2Br)n1C 2172228398 XUEMCPYEKUFMEK-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE CC1(C)C[C@H](N(Cc2ccccc2)S(=O)(=O)c2cc(CBr)ccc2Cl)CO1 2179787706 SRHQLNYIORUXMK-KRWDZBQOSA-N 472.832 4.993 50 10 JJGE CN(C(=O)c1ccc(I)c(Cl)c1)[C@@H](CBr)CC1CC1 2226160139 LSUWTQAAOHUHKA-LLVKDONJSA-N 456.549 4.580 50 10 JJGE Cc1c([C@@H](Br)c2ccc3c(c2Br)CCO3)c(Br)nn1C 2238075133 YGYMVQRGQBEXCP-ZDUSSCGKSA-N 464.983 4.673 50 10 JJGE O=C(c1sccc1I)N1CCC(CCCCBr)CC1 2267921892 GMHUEAYVBUZQRK-UHFFFAOYSA-N 456.187 4.770 50 10 JJGE O=C(N[C@H]1CCCC[C@H]1CBr)c1ccc(Cl)c(I)c1 2268351041 VASZOXIDALCEBG-GWCFXTLKSA-N 456.549 4.628 50 10 JJGE COc1ccc(C=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1OCc1ccccc1C 2295669868 CIXPCSWOERXEFL-UHFFFAOYSA-N 456.498 4.900 50 10 JJGE CN(Cc1ccc(I)c(Br)c1)C[C@H]1C[C@H](Br)C1 2306209043 BIJXEQVUYHHELS-XYPYZODXSA-N 472.990 4.659 50 10 JJGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCC 2313566940 DXTRKGQYEZTWNA-UHFFFAOYSA-N 480.406 4.832 50 10 JJGE CCc1cnccc1CO[C@@](C)(CI)CN(CC)C(=O)OC(C)(C)C 2317844470 WBSIEQWNPJXMEB-IBGZPJMESA-N 462.372 4.611 50 10 JJGE COc1ccc(CCNC(=O)C(C#N)=CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC 2324718780 GTDFOKRSNWQVHN-UHFFFAOYSA-N 487.400 4.920 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@H]2C[C@]1(CBr)C2 2336795022 HEPCFSHQKHFZJC-DEZZCRIOSA-N 451.984 4.601 50 10 JJGE CC[C@H]1[C@@H](CBr)CCN1C(=O)c1ccc(Cl)cc1I 2340058669 PTMUMAPIMQSKPU-RNCFNFMXSA-N 456.549 4.580 50 10 JJGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1c(O)ccc2ccccc12 12482813 SUYSYCZKMXPWST-AUEPDCJTSA-N 492.167 4.908 50 10 JJGE O=C(Cc1cccc2ccccc12)NNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 12570308 AQHLSZCEYLMQPK-UHFFFAOYSA-N 490.412 4.570 50 10 JJGE Cc1ccc(NCC(=O)NN=Cc2cccc(OC(=O)c3cccc(Br)c3)c2)cc1 16671414 BWVLOFXAYMTREL-UHFFFAOYSA-N 466.335 4.539 50 10 JJGE CCOc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1OC)CCC2 40813128 FOJPXSQHNPCPSY-TURZUDJPSA-N 461.518 4.718 50 10 JJGE CC(C)c1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(Br)cc1 40950864 YNLHGWSWBQTLGP-UFFVCSGVSA-N 454.162 4.864 50 10 JJGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 214324463 SNGLCPVZUMWNFZ-ZSRGTNOTSA-N 496.542 4.758 50 10 JJGE O=C(NN=Cc1ccc(Cl)cc1Cl)c1ccn(Cc2cccc(Br)c2)n1 252606802 GVKDNOYKLZHFIB-UHFFFAOYSA-N 452.139 4.765 50 10 JJGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=Cc3cccnc3)n2-c2ccccc2)cc1 254391086 HOHCGQMGLRFWOJ-UHFFFAOYSA-N 470.602 4.869 50 10 JJGE Nc1ccc(Cl)c([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1 382697129 SSLQQRUCTSECCY-RHSMWYFYSA-N 470.738 4.709 50 10 JJGE Nc1ccc(Cl)c([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1 382697133 SSLQQRUCTSECCY-YOEHRIQHSA-N 470.738 4.709 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2C[C@H](Br)C[C@H]1C2 709823534 WLFXGBOAHUSNKQ-INTQDDNPSA-N 451.984 4.600 50 10 JJGE CC(C)c1ccc(OCC(=O)NN=Cc2cc(Br)ccc2O)c(Br)c1 1083859592 PZYWSOXSCWDHIG-UHFFFAOYSA-N 470.161 4.570 50 10 JJGE O=C(NN=Cc1cccc(OCc2c(Cl)cccc2Cl)c1)C(=O)Nc1ccc(F)cc1 1084016774 CWZBOUMZWDTFRH-UHFFFAOYSA-N 460.292 4.800 50 10 JJGE O=C(NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 1084055068 PCZSLABAMXVQLB-UHFFFAOYSA-N 484.468 4.523 50 10 JJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1cccs1 1084291359 NDHBLIVAQVIYMN-UHFFFAOYSA-N 468.170 4.955 50 10 JJGE C=C(C)[C@H](NC(=O)NNC(=O)COc1ccccc1-c1ccccc1)c1ccc(F)c(F)c1 1226646993 NFLVBSXHEZERRP-DEOSSOPVSA-N 451.473 4.658 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@H](c2ccc(Br)cc2[N+](=O)[O-])C1 1614689567 BMYXWZZMDUZYBI-ZWNOBZJWSA-N 464.154 4.703 50 10 JJGE C=CC[C@@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C)C(=O)OCC 1624932107 VTEFJWYBNMFJFJ-SARUNTBLSA-N 459.468 4.644 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(F)cc1)C(C#N)=C(N)O2 1865707955 KHBNJMGBJIEVFH-LJQANCHMSA-N 453.315 4.945 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865712756 HAZJRKBSLFQIPP-HSZRJFAPSA-N 479.496 4.733 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 1865713322 WMDKCRQUEPLAOY-FQEVSTJZSA-N 467.888 4.803 50 10 JJGE CC(C)[C@@H]1C[C@@H]([C@@H](CBr)NC(=O)OC(C)(C)C)CN1C(=O)OCc1ccccc1 1892831326 CIYFTWSIPGNQDN-QRVBRYPASA-N 469.420 4.958 50 10 JJGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccccc1I 1914213019 XAASKEVHONWXEP-CYBMUJFWSA-N 458.137 4.717 50 10 JJGE O=S1(=O)CCC[C@H]([C@@H](Br)c2cc(Br)sc2Br)C1 1942228931 VSJKTBIGORLQPA-IMTBSYHQSA-N 467.042 4.534 50 10 JJGE O=C(NC[C@H]1CCC[C@@H]1CBr)c1csc(Br)c1Br 2032953021 BBTIHAVTFGTPIG-HTQZYQBOSA-N 460.029 4.814 50 10 JJGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Cl)c1c(Br)sc(Br)c1Br 2054225756 FWTDQVYTOWSFSW-ORKRIWSOSA-N 499.471 4.606 50 10 JJGE O=C(N[C@H]1CCC[C@H]1CCBr)c1cc(Cl)ccc1I 2090571518 IUILEIHGJWVRRD-ZANVPECISA-N 456.549 4.628 50 10 JJGE C[C@H]1CC[C@H](CBr)CN1C(=O)c1c(Br)cccc1Br 2094095405 LTZIBMYRZKTJRP-VHSXEESVSA-N 454.000 4.847 50 10 JJGE CC1(C)CC[C@H](CBr)N1C(=O)c1ccc(I)c(Cl)c1 2140849768 IWYIDLKULPVUAT-SNVBAGLBSA-N 456.549 4.723 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 2148749419 HUTJZKHCQQZAIF-GARJFASQSA-N 466.011 4.847 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CC2(CCC(Cl)CC2)C1 2207263050 VHELWAQGZVOZIL-UHFFFAOYSA-N 468.560 4.677 50 10 JJGE COCCN1C[C@@H](c2sc(Br)c(Br)c2Br)[C@@H](Cl)C1 2222446948 CRFOVWJAIITDTQ-RQJHMYQMSA-N 482.463 4.689 50 10 JJGE C[C@H]1[C@H](Cl)C[C@@H](C)CN1C(=O)c1ccc(I)c(Br)c1 2227600923 ODYIMDWNGINSPS-VDDIYKPWSA-N 456.549 4.532 50 10 JJGE CC(C)(C)OC(=O)N[C@H]1CCN(CCCCCI)[C@H](C(F)(F)F)C1 2247410762 IIXKEWOEZKVLDG-STQMWFEESA-N 464.310 4.512 50 10 JJGE O=C(NC[C@]1(CBr)C[C@@H]1C(F)(F)F)c1scc(Br)c1Cl 2279175607 LIYMPXDTFOYHEF-QUBYGPBYSA-N 455.521 4.857 50 10 JJGE C=CC[C@@]1(CBr)CCCN1C(=O)c1ccc(I)c(Cl)c1 2287793290 QVJOWOITFHETQW-HNNXBMFYSA-N 468.560 4.890 50 10 JJGE COC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)c(OC)c1 2296244665 CEROJWLJXBYNAP-UHFFFAOYSA-N 464.301 4.847 50 10 JJGE C[P@@]1(=O)C[C@H](Cc2ccc(I)c(Br)c2)[C@@H](Br)C1 2306217991 VUPKUMCVKJKHDF-LTHLMHMASA-N 491.929 4.982 50 10 JJGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2)cc1 2314634246 MRJWGPMESVSZMZ-AREMUKBSSA-N 454.482 4.541 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C(C)C)cc2)c(OC)c1 2314790146 GMLSOZWUFYUUBL-UHFFFAOYSA-N 450.535 4.626 50 10 JJGE COc1ccc(C=C(C#N)C(=O)Nc2ccc3c(c2)C(=O)N(c2c(C)cccc2C)C3=O)cc1 2329617895 ZYLNQKRGIJBSEZ-UHFFFAOYSA-N 451.482 4.658 50 10 JJGE O=S1(=O)CC[C@@H]([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)C1 2337090095 IVIFFCGIIKLWAX-GPXNAGAYSA-N 454.970 4.719 50 10 JJGE CN(CC1CC(Br)C1)[C@@](C)(C(=O)O)c1cc(Br)c(Br)s1 2374320092 MZIKGLKYFMHVGQ-KTRLOWJHSA-N 490.055 4.678 50 10 JJGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 12493986 QPVIHQJBGUSEKA-UHFFFAOYSA-N 466.365 4.598 50 10 JJGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc21 38681902 LDEDGIMDPSKCOE-XMMPIXPASA-N 471.469 4.821 50 10 JJGE CCn1c(SCCCC(=O)N/N=C/c2cc(Br)ccc2O)nc2ccccc21 58990135 PWFAMVCSWGOERS-LPYMAVHISA-N 461.385 4.547 50 10 JJGE Cc1cc(NC(=O)N/N=C/c2cc(Br)c(N3CCCC3)o2)ccc1Br 59679423 GGPGHJIHUSOSBT-KEBDBYFISA-N 470.165 4.869 50 10 JJGE CC(=O)OC[C@]12CC[C@@]3(CC[C@@H]4C(C)(C)C[C@H](Br)C(=O)[C@@]4(C)[C@@H]3C[C@H]1OC(C)=O)C2 85341154 BXYWSXMYOVDBRM-YGEIMMASSA-N 483.443 4.837 50 10 JJGE COc1ccc(/C(C)=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c(OC)c1 97729839 BUGXAPKYWYCFQH-JFLMPSFJSA-N 451.910 4.764 50 10 JJGE CC(C)Oc1ccc(/C=N\NC(=O)c2cccn(Cc3ccc(Cl)c(Cl)c3)c2=O)cc1 169920453 LGOCZZNUJJFGEG-ZMFRSBBQSA-N 458.345 4.755 50 10 JJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)c1 205649533 FXWXBCANUCMARJ-KYJNCLHHSA-N 468.509 4.849 50 10 JJGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)cc1 210035138 FKDJRTZWAYVKQL-QRVIBDJDSA-N 469.522 4.915 50 10 JJGE N#C/C(=C/Nc1cc(Cl)ccc1O)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216495503 XOYJFNVAOIWEAO-QOCHGBHMSA-N 472.976 4.799 50 10 JJGE Cn1cc(CCC(CBr)(CBr)c2ccccc2Br)cn1 230928151 ZNBWGKKTHYPCBB-UHFFFAOYSA-N 465.027 4.843 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CCCC[C@H]1CCBr 232453804 OPPAZPCNIPTWRW-ZDUSSCGKSA-N 454.000 4.991 50 10 JJGE Cc1cccc(OCC(=O)NN=Cc2ccc(OC(=O)c3cccc(Br)c3)cc2)c1C 252589909 AOKOCZFXTORISC-UHFFFAOYSA-N 481.346 4.814 50 10 JJGE COc1ccc(C(=O)Oc2cccc(C=NNC(=O)CSc3nc4ccccc4s3)c2)cc1 252590685 AUQRWFFGGVUUAG-UHFFFAOYSA-N 477.567 4.767 50 10 JJGE Cc1nnc(CC(CBr)(CBr)c2ccccc2Br)s1 698597344 MNNITPGDJMCCSK-UHFFFAOYSA-N 469.040 4.879 50 10 JJGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 1084326261 AJHDFYLUACGZAO-QFIPXVFZSA-N 497.935 4.800 50 10 JJGE C=CC(=O)Nc1cc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)ccc1F 1465685500 SDQPJRAIHHEIFM-UYRXBGFRSA-N 458.493 4.912 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2cccc(OC(F)(F)F)c2)C1 1614693470 MLIPAJXKGFEFSV-JSGCOSHPSA-N 471.257 4.971 50 10 JJGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696449 NFLNYOZYXIOPRE-LJQANCHMSA-N 485.769 4.833 50 10 JJGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696781 KIUOMWNVLUTPTL-XMMPIXPASA-N 474.561 4.847 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)c1 1865712384 XCHHNUGUSOHRHR-HSZRJFAPSA-N 452.489 4.964 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1[C@H]2CC[C@@H]1C[C@@H](Br)C2 2098699674 QTRMDCPXCXNUJF-RTCCRHLQSA-N 451.984 4.742 50 10 JJGE CC(C)[C@H](Br)c1cn(Cc2cc(Cl)ccc2I)nn1 2121063813 HWSXYQLMEUGGIN-ZDUSSCGKSA-N 454.537 4.676 50 10 JJGE COCCCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1F 2123267648 IFOOLCGALZCFDU-UHFFFAOYSA-N 464.784 4.601 50 10 JJGE CC[C@H]1[C@H](CCl)CCN1C(=O)c1ccc(Br)cc1I 2142284993 KCDBTHJYFWZSBI-ZANVPECISA-N 456.549 4.533 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2ccc(CBr)cc2)C[C@H]1C(F)(F)F 2182845306 OPYIRRFWRIBQEO-HZPDHXFCSA-N 451.327 4.717 50 10 JJGE O=C(NC[C@@]1(CCl)CC12CCC2)c1ccc(Br)cc1I 2207265543 SHXWGBLWOMAANT-HNNXBMFYSA-N 468.560 4.583 50 10 JJGE C[C@@H](CBr)CC1CN(C(=O)c2cc(Br)ccc2Br)C1 2230534542 CNBXSNMLFJYNQL-SECBINFHSA-N 454.000 4.705 50 10 JJGE Cc1ccc(I)c(C(=O)N2CCC[C@@H](C)[C@H]2CCBr)c1 2240925923 ROCPJLSBVILOCV-IUODEOHRSA-N 450.158 4.625 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCCCN(C(=O)OC(C)(C)C)CC1 2244840948 BVNKKQVNIGDAMJ-KRWDZBQOSA-N 463.710 4.662 50 10 JJGE O=C(N[C@@H]1CCCC[C@H]1CBr)c1ccc(Cl)c(I)c1 2268351043 VASZOXIDALCEBG-GXFFZTMASA-N 456.549 4.628 50 10 JJGE COc1ccc([C@H](Br)[C@@H]2C[C@H](OC)C23CCC3)cc1I 2285001639 HKUQHXMYYCYQSN-CQDKDKBSSA-N 451.142 4.941 50 10 JJGE Cc1c(F)ccc(CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)c1Cl 2301346663 SZQSQFVHMIETRG-ZIAGYGMSSA-N 469.722 4.727 50 10 JJGE Cc1c(C=NNC(=O)c2cc(-c3ccccc3)nc(N3CCCCC3)n2)c2ccccc2n1C 2323758657 WGKIUZSZGMCBLA-UHFFFAOYSA-N 452.562 4.698 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H]2CC[C@H]1[C@@H](Br)C2 2325289950 PFPXDHRVWVTISG-ZKWXMUAHSA-N 458.013 4.661 50 10 JJGE CCCCCCn1c(=O)c(C(=O)NN=Cc2cccc(Br)c2)c(O)c2ccccc21 2328625550 LGQOJDNERDDBQC-UHFFFAOYSA-N 470.367 4.814 50 10 JJGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(c4ccccc4C(=O)OC)C3)n2)cc1 2331305447 DSXQKZRRAHMZTK-KRWDZBQOSA-N 489.553 4.841 50 10 JJGE CC[C@]1(C)[C@@H](Br)CCN1C(=O)c1cccc(Br)c1Br 2336767870 YNPHKEXHNXPHBO-SMDDNHRTSA-N 454.000 4.990 50 10 JJGE CC(C)[C@@H](Br)C(C)(C)NC(=O)c1ccc(Cl)cc1I 2340410393 LLJFSDBZJYEILP-GFCCVEGCSA-N 458.565 4.873 50 10 JJGE O=C(NCC(F)(F)C(F)(F)CI)c1cccc(Cl)c1Br 2361677962 WCSSJDXPGCPYTK-UHFFFAOYSA-N 488.444 4.538 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@@H]2CCOc3ccc(F)cc32)C1 2364438749 SKBCNGZCVWEDNZ-XLIONFOSSA-N 491.341 4.871 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CO[C@H]2COC[C@H]12 2365187486 AURYENWJNCMJTM-CUKVJPMHSA-N 472.974 4.757 50 10 JJGE CC(C)[C@@H](Br)C(C)(C)CNC(=O)c1cc(I)ccc1F 2365995773 QEPPXNYCMZNXBG-CYBMUJFWSA-N 456.137 4.606 50 10 JJGE CC[C@@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1cc(Br)ccc1OC 1947243 QNIQOZHFAZTTDR-BTZNOAQDSA-N 469.177 4.561 50 10 JJGE Cc1nnc(SCC(=O)NN=Cc2cn[nH]c2-c2ccc(Cl)c(Cl)c2)n1-c1ccccc1 2097245 XGSYZHYSSXWHPZ-UHFFFAOYSA-N 486.388 4.515 50 10 JJGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 14667007 LNYQGIBTQCKJID-UHFFFAOYSA-N 490.398 4.543 50 10 JJGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1OC 31901132 IJYBBXHREYFXBH-NVMNQCDNSA-N 475.413 4.804 50 10 JJGE Nc1c(NNC(=O)c2cccc3ccccc23)ncnc1Nc1ncc(C(F)(F)F)cc1Cl 40793387 USGYWCJKPZNUFM-UHFFFAOYSA-N 473.846 4.780 50 10 JJGE COc1ccc(N2C[C@@H](C(=O)N/N=C/c3c(OCc4ccccc4)ccc4ccccc34)CC2=O)cc1 59383817 ITLGRQNBBHUJEA-DXFLJZLASA-N 493.563 4.931 50 10 JJGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 101334734 BUWXDJBMLBPXFW-YDZHTSKRSA-N 481.512 4.696 50 10 JJGE O=C(N[C@H](CBr)C1CCCC1)c1cc(Br)ccc1Br 386332298 KDHJIUFBPHWLOB-CYBMUJFWSA-N 454.000 4.895 50 10 JJGE CCOc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1Br 725388468 YLHLXUVGFGABMK-KRWDZBQOSA-N 484.188 4.574 50 10 JJGE O=C(NN=Cc1ccc(OCc2ccc(I)cc2)cc1)c1cccs1 1083989106 FLYXOADSDCVBIP-UHFFFAOYSA-N 462.312 4.696 50 10 JJGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1ccco1 1084006202 IAIFDIVMQBTEOD-UHFFFAOYSA-N 459.575 4.668 50 10 JJGE N#C/C(=C/c1ccc(OCc2ccccc2F)c(Br)c1)C(=O)NCc1ccco1 1084247194 KNZBBJSXFJUYLS-YVLHZVERSA-N 455.283 4.984 50 10 JJGE CCOc1c(Cl)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 1084282540 SOJLWBJNBYQMEL-SFQUDFHCSA-N 474.786 4.757 50 10 JJGE O=C(NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1cccc([N+](=O)[O-])c1 1084572235 YAHOYZABTVBEBZ-UHFFFAOYSA-N 476.492 4.865 50 10 JJGE CCCCOc1ccc(C=NNC(=O)COc2ccc(Br)cc2Br)cc1 1772754193 FAZIPPGFAHJKCN-UHFFFAOYSA-N 484.188 4.920 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1cccc(O)c1 1865681420 MXAXMTGQMJKZAL-HNNXBMFYSA-N 477.240 4.577 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865704545 YIMMWCOAYXIXSH-QHCPKHFHSA-N 496.498 4.662 50 10 JJGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(F)cc1 1865710252 SDJITUHCUTZYFN-HSZRJFAPSA-N 452.489 4.964 50 10 JJGE C=CCOc1ccccc1OCC(=O)NNC(=O)c1ccc(-c2ccc(Cl)cc2Cl)nc1C 1865759510 DOVLAIQYBRSPLJ-UHFFFAOYSA-N 486.355 4.769 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2nc(C3CC3)n3ccccc23)cc1 1866860971 WHRZFNDKUMOZMS-QFIPXVFZSA-N 481.581 4.765 50 10 JJGE CSCC[C@@H](NC(=O)CCC(=O)c1ccc(C)cc1C)C(=O)Nc1ccc(SC#N)cc1 1867090770 GKUYMEWFMFHSFR-OAQYLSRUSA-N 469.632 4.716 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC[C@]1(NC(=O)OC(C)(C)C)CCC[C@H]2C[C@H]21 2010825918 SYQWLOLADAUPJR-GSHUGGBRSA-N 475.721 4.566 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[C@H](CI)O2)C(F)(F)CC1 2020325598 AAHDRWRCARUJRP-CJNGLKHVSA-N 459.315 4.786 50 10 JJGE C[C@H](NCCSSCCNC(=O)OC(C)(C)C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 2023578568 ABFHKFBOVHMPRQ-BZSNNMDCSA-N 477.737 4.954 50 10 JJGE O=C(c1scc(Br)c1Br)N1CC[C@H](Br)[C@H]1C1CC1 2067019156 BVGPZCIBLCCHDK-OIBJUYFYSA-N 458.013 4.661 50 10 JJGE CC[C@@H](Br)CN(C(=O)c1cc(Br)ccc1Br)C1CC1 2107406718 KKTZKSSQNYGYBS-SECBINFHSA-N 454.000 4.990 50 10 JJGE Fc1ccc(N2CC[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c(CBr)c1Cl 2185515103 PJEFLCDPHWFQGA-UXHICEINSA-N 453.783 4.854 50 10 JJGE C[C@]1(CCBr)CCN(c2ncc(C(F)(F)F)cc2I)C1 2188434462 JIGCDPOTVWTYFU-LBPRGKRZSA-N 463.079 4.706 50 10 JJGE Cc1cc(Br)c([C@H](Br)C2(S(C)(=O)=O)CC2)c(C)c1Br 2227353126 RYJHOKGNFSZFFI-LBPRGKRZSA-N 475.040 4.842 50 10 JJGE O=C(c1cc(Br)ccc1I)N1C[C@@H](Cl)CC12CCCC2 2241027283 STOLYJDFCBGSIU-NSHDSACASA-N 468.560 4.820 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@@H](Cl)Cc1cc(Br)cc(OC(F)(F)F)c1 2250866051 BOFPTQTWJJXPEM-LBPRGKRZSA-N 462.649 4.794 50 10 JJGE CC1(C)C[C@@H](CBr)CN1C(=O)c1ccc(Cl)c(I)c1 2268343473 BHCLYSAXDPPHQH-VIFPVBQESA-N 456.549 4.580 50 10 JJGE C[C@]1(CNC(=O)c2ccc(Br)cc2Br)CCC[C@H]1Br 2271298701 RTCXTPAZOQLQRY-TZMCWYRMSA-N 454.000 4.895 50 10 JJGE CC1(C)[C@H](Br)CCCN1C(=O)Cc1cc(Br)cc(Br)c1 2295312663 ZWDDMFCHOKYMJW-CYBMUJFWSA-N 468.027 4.919 50 10 JJGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(C)cc2)cc1 2297318721 YHGPLHOSCXMDOS-UHFFFAOYSA-N 471.538 4.750 50 10 JJGE CC(C)(CI)CN(CC1CC1)C[C@@H]1CCCN1C(=O)OC(C)(C)C 2306819461 VBYKEFDVPPPWRB-INIZCTEOSA-N 450.405 4.559 50 10 JJGE CCOCCCN1C(=O)C(=Cc2ccc(OCCC(C)C)c(OCC)c2)C(C)=C(C#N)C1=O 2314618124 HQJJLCNNSBYSGY-UHFFFAOYSA-N 454.567 4.529 50 10 JJGE CCOc1ccc(C=C(C#N)C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1OC 2314730765 PBVMWHHOJHZWAY-UHFFFAOYSA-N 454.939 4.735 50 10 JJGE BrC[C@@H]1[C@H]2CCN(Cc3ccc(I)c(Br)c3)C[C@H]21 2325208308 UYOREKLSZQRUKJ-IJLUTSLNSA-N 485.001 4.517 50 10 JJGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc(OC)c1OC 2331412513 FLUGHWIFYJKCMV-UHFFFAOYSA-N 484.530 4.812 50 10 JJGE Fc1cc(CBr)c(N2CC[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cc1Cl 2362385302 IGFLAWJZKMHDBX-NHCUHLMSSA-N 453.783 4.854 50 10 JJGE C[C@@H]1C[C@@H](C(F)(F)F)N(C[C@@]2(CBr)CC2(F)F)CCN1C(=O)OC(C)(C)C 2379988217 VREPWJOMBKATKE-XUJVJEKNSA-N 465.301 4.669 50 10 JJGE COc1ccc2cc([C@H](C)C(=O)NNC(=O)COc3ccccc3-c3ccccc3)ccc2c1 17202084 NNDWSAURBMHBAP-IBGZPJMESA-N 454.526 4.845 50 10 JJGE N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccccc1Sc1ccccc1 33765924 QZSYSCILNWZQFF-LDADJPATSA-N 458.495 4.655 50 10 JJGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)c1 38654048 ZFLUSNRYVBHLBS-XMMPIXPASA-N 471.469 4.821 50 10 JJGE Cc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccc(F)cc2)nc2c(C)cccn2c1=O 39858704 HGGOZHKSFKDHKP-JXAWBTAJSA-N 454.461 4.788 50 10 JJGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc21 40530365 ACHNPYNZEDVKFX-RUZDIDTESA-N 480.476 4.629 50 10 JJGE O=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1cc2c(nc3sccn32)s1 45573782 MXUIHOWLAOAOKH-UHFFFAOYSA-N 484.566 4.538 50 10 JJGE O=C(CSc1ccccc1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 59147308 VOICWXKOLNUYOK-LPYMAVHISA-N 452.448 4.538 50 10 JJGE O=S(=O)(Nc1ccc(CCCl)cc1)c1cc(Br)ccc1Br 96873104 IJRLGXKLCZTQTN-UHFFFAOYSA-N 453.583 4.794 50 10 JJGE COc1cc(F)c([C@@H](Br)c2cccc(I)c2)cc1OC 109885158 MSQHEVCCQORPTK-HNNXBMFYSA-N 451.073 4.932 50 10 JJGE COc1ccc(CCN/C=C(/C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 217249204 LRRNXVXVIHCNDZ-OWBHPGMISA-N 453.848 4.554 50 10 JJGE N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc(C=NNC(=O)c2cccc(Br)c2)c1 252628685 SVNSQPWZOWNYQE-UHFFFAOYSA-N 465.263 4.785 50 10 JJGE COc1ccc(C)cc1N(CC(=O)NN=Cc1cccc2ccccc12)S(=O)(=O)c1ccccc1 254736074 GSROAVQQYRQBRS-UHFFFAOYSA-N 487.581 4.502 50 10 JJGE COc1cc(C=NNC(=O)c2cccc3ccccc23)ccc1OS(=O)(=O)c1ccc(C)cc1 254825624 LRCJTPZBZYOEGP-UHFFFAOYSA-N 474.538 4.688 50 10 JJGE COc1csc([C@H](Br)c2cc(I)cc3c2OCC3)c1 388658774 NUIIQYDWTNMBQU-CYBMUJFWSA-N 451.123 4.781 50 10 JJGE C[C@@H]1[C@H](CBr)CCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 395177745 UDQHEZPTFBWYQV-SFYZADRCSA-N 466.022 4.550 50 10 JJGE C[C@@H]1CCCN(C(=O)c2cc(Br)ccc2Br)[C@H]1CBr 688678397 IJHXRPBNRBBGQM-RNCFNFMXSA-N 454.000 4.847 50 10 JJGE C[C@H]1CCN(C(=O)c2cc(Br)sc2Br)C[C@@H]1CBr 700420947 XRUFAXADZRJTPD-YUMQZZPRSA-N 460.029 4.766 50 10 JJGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1ccccc1C#N 725430103 DHSCATJUAZDBEW-AREMUKBSSA-N 483.568 4.838 50 10 JJGE C#CCCN1CCC(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc4ccccc34)c2C)CC1 1444692630 WDBCXCVQHMPLPR-NCELDCMTSA-N 450.586 4.758 50 10 JJGE Cc1ccnc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)c1 1772751785 YIQDSHVRTUTOKU-UHFFFAOYSA-N 453.502 4.562 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccccc2)C(C#N)=C(N)O3)cc1 1865680805 WJZDNHVZEGEHLL-HSZRJFAPSA-N 452.489 4.964 50 10 JJGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865693583 XAZBHPYSVLBYAX-NRFANRHFSA-N 480.952 4.722 50 10 JJGE CC(C)c1ccc([C@@H](CC(=O)N[C@H](CO)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866741440 MPOBWGFAXRWUQA-XZOQPEGZSA-N 453.608 4.629 50 10 JJGE O=S(=O)(c1ccc(Br)c(CBr)c1)N(Cc1ccccc1)CC(F)F 2009710835 OUROTUXQCBCRDL-UHFFFAOYSA-N 483.172 4.800 50 10 JJGE FC(F)(F)Oc1ccc(CBr)c(Br)c1I 2054837630 VMPCKIJTIFWXCH-UHFFFAOYSA-N 459.825 4.847 50 10 JJGE Cc1sc(Br)c(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c1C 2061267960 MDHSYFIOLXVYBM-UHFFFAOYSA-N 469.492 4.763 50 10 JJGE CC1CC(CCl)(N(C)C(=O)c2ccc(I)c(Br)c2)C1 2108308485 JUIOHZMJHSHMLW-UHFFFAOYSA-N 456.549 4.533 50 10 JJGE C[C@H](Br)CCc1cn(-c2ccc(Cl)c(I)c2Cl)nn1 2132756828 MFEBPHNEUWFADO-ZETCQYMHSA-N 474.955 4.895 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@H](Br)[C@@H]2CC[C@H]21 2133723443 PPXMQKYXOGBHHL-RWMBFGLXSA-N 451.984 4.600 50 10 JJGE F[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1cc(Cl)ccc1I 2134110185 FSNLAQZFOWFZSQ-HBJVGIJOSA-N 458.540 4.783 50 10 JJGE O=C(N[C@H]1CCCC[C@@H]1CCl)c1ccc(Br)cc1I 2142284846 IKKRQKJREKYYCI-RNCFNFMXSA-N 456.549 4.581 50 10 JJGE Clc1cc(CN2C[C@@H](CBr)C3(CCC3)C2)ccc1I 2142943094 JMDRNAWBOLNNDN-GFCCVEGCSA-N 454.577 4.942 50 10 JJGE O=C(c1ccc(F)cc1I)N(CCBr)Cc1ccsc1 2171085446 OGHGACZRVBHTGT-UHFFFAOYSA-N 468.129 4.529 50 10 JJGE CO[C@@H]1CCC[C@H]([C@@H](Br)c2cc(I)cc3c2OCC3)C1 2182759703 BLNJCZIGOXUEFI-PSOPSSQASA-N 451.142 4.867 50 10 JJGE Cc1ccc(C(=O)N2CCCC(C)(C)[C@@H]2CBr)cc1I 2232838312 DWNHTSOKCDAKMI-AWEZNQCLSA-N 450.158 4.625 50 10 JJGE O=C(N[C@@H]1CCCC[C@@H]1CCBr)c1c(F)cccc1I 2282810805 XEONJTPCASCZBU-ZWNOBZJWSA-N 454.121 4.504 50 10 JJGE CCN(C[C@](C)(CI)OC[C@@](C)(F)C(C)(C)F)C(=O)OC(C)(C)C 2307651174 APZPICWQMPRTAG-DLBZAZTESA-N 463.347 4.930 50 10 JJGE Cc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc([N+](=O)[O-])cc1 2313556677 ICGMIJLAMIOHLZ-UHFFFAOYSA-N 453.502 4.750 50 10 JJGE CCOc1cc(C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314618465 OBWLYSMLEGGKOC-QFIPXVFZSA-N 490.531 4.575 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCCC)c(OC)c2)cc1 2314777676 PHWQWESBVHAGBC-UHFFFAOYSA-N 462.546 4.926 50 10 JJGE FC1(CBr)CCN(Cc2ccc(I)c(Br)c2)CC1 2325227383 ZKAJHGNISCAMJS-UHFFFAOYSA-N 490.980 4.753 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc4ccccc4oc3=O)n2)c(OC)c1OC 2331412976 YGHDNQIBVFZISC-UHFFFAOYSA-N 462.483 4.892 50 10 JJGE CN(C(=O)c1ccc(Cl)cc1I)[C@@H](CBr)C(C)(C)C 2340057882 OTHJCFWMUSRMIL-LBPRGKRZSA-N 458.565 4.826 50 10 JJGE COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1CN1CCCc2ccccc21 3064468 WJVZOVNVVIQLCI-LQKURTRISA-N 463.965 4.831 50 10 JJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccccc1-c1ccccc1 13979947 HCDYGNCLJWSCEL-OAHLLOKOSA-N 459.329 4.654 50 10 JJGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(\C#N)C(=O)NCc2ccccc2)cc1 16739738 IFGMCQPCSDIBKI-BSSRNLCFSA-N 471.557 4.877 50 10 JJGE O=C(N/N=c1\oc2ccccc2cc1C(=O)Nc1ccccc1)c1cccc(Br)c1 27519134 KEBPUQIFHSDJDA-VYIQYICTSA-N 462.303 4.693 50 10 JJGE COc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccc(Br)cc2)cc1OC 27528115 SJGQFIXISGZBOE-AFUMVMLFSA-N 469.335 4.809 50 10 JJGE CC(=O)Nc1sc(/C(C#N)=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)nc1-c1ccccc1 34983042 WMIAYBXEBOTCCI-QGOAFFKASA-N 490.566 4.740 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1 38685803 PNNTUAUBIFKDDJ-AREMUKBSSA-N 456.498 4.596 50 10 JJGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)c1 66201452 MYJWZTOLIXBDBO-UHFFFAOYSA-N 467.610 4.934 50 10 JJGE CCn1c(SCC(=O)NN=C(C)c2ccccc2O)nnc1-c1ccc(C(C)(C)C)cc1 254295335 UTMWDRIBBHWVEX-UHFFFAOYSA-N 451.596 4.601 50 10 JJGE COc1ccc(/C=C(/C#N)C(=O)N=C2N=C3C=CC(Br)=CN3Cc3ccccc32)cc1 254488127 ROBKIEPIALALFX-ORQZCMOFSA-N 473.330 4.596 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)NC2CCN(Cc3ccccc3)CC2)c(-c2ccc(Cl)cc2)n1 899869672 HJCOEIAVEBHUDS-QJOMJCCJSA-N 499.018 4.805 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCN(c3ccccc3)C2)c(-c2ccc(Cl)cc2)n1 915198111 HEHGCAIVVIKOGQ-AHFVYKFHSA-N 484.991 4.667 50 10 JJGE COc1c(C(=O)NN=C2C(=O)N(Cc3ccccc3F)c3ccccc32)ccc2ccccc12 1084046607 SXEFZIQMDORDEH-UHFFFAOYSA-N 453.473 4.668 50 10 JJGE CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)c3cccc(Br)c3)c2C)cc1 1084199431 DZURRLUPDWBDLB-UHFFFAOYSA-N 468.351 4.797 50 10 JJGE Cc1ccsc1C=NNC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 1084624012 KMGOHSWELBOCDZ-UHFFFAOYSA-N 482.414 4.709 50 10 JJGE C/C(=C\c1ccccc1Cl)C(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 1544389042 WDNUSDHZDIIAEP-DQJRMYJUSA-N 459.977 4.518 50 10 JJGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1Cl 1858683581 VDEJEPNXCXWSTN-UHFFFAOYSA-N 477.260 4.925 50 10 JJGE N#CSc1ccc(NC(=O)C2CCN(C(=O)CCc3ccccc3Br)CC2)cc1 1860607072 PQDBMRHWEUVRIK-UHFFFAOYSA-N 472.408 4.832 50 10 JJGE Cc1ccc(O)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)c1 1865687453 RNXZUBBJIZEIJF-QGZVFWFLSA-N 460.843 4.836 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)c1OC 1865701259 QOJKSXQOPLWILU-QHCPKHFHSA-N 464.525 4.834 50 10 JJGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865702199 PDWBILOYGSSHAW-XMMPIXPASA-N 457.578 4.898 50 10 JJGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865707252 RUUYEGUHFGMYCE-JOCHJYFZSA-N 464.953 4.773 50 10 JJGE COc1ccc(-c2ccc(C(=O)NNC(=O)/C=C/c3ccc(Cl)cc3Cl)c(C)n2)cc1OC 1865758199 NVNKYSGPTILQAR-IZZDOVSWSA-N 486.355 4.855 50 10 JJGE Cc1oc(-c2cccc(Cl)c2)nc1CC(=O)N[C@H](C)C(=O)Nc1ccc(SC#N)cc1 1866663339 QXHCUCBTRAMGFM-CYBMUJFWSA-N 454.939 4.563 50 10 JJGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2Cc2ccccc2F)c2ccccc2)cc1 1866916421 CACWDTHKGVHFHT-DQEYMECFSA-N 488.588 4.859 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 2010828904 NRFCLRKZMCHJDU-HTAPYJJXSA-N 475.721 4.662 50 10 JJGE CCCn1cc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1CCl 2034746856 AEMHODUCYSFAMY-UHFFFAOYSA-N 474.070 4.960 50 10 JJGE CC(C)c1cnccc1-n1nc(CBr)c(I)c1C(F)(F)F 2078926671 JUKZCZFLUIKPBZ-UHFFFAOYSA-N 474.062 4.909 50 10 JJGE CC1(C)[C@@H](NC(=O)c2scc(Br)c2Br)CC[C@H]1Br 2086012816 UKDNKUUGPRTMGZ-SFYZADRCSA-N 460.029 4.955 50 10 JJGE CCn1cc(Br)c(COc2ccc(Br)cc2CBr)n1 2124749856 QDWZHFRMDOTOSM-UHFFFAOYSA-N 452.972 4.902 50 10 JJGE O=S(=O)(N[C@@H]1CCCC[C@@H]1CCBr)c1cc(Cl)c(Br)s1 2146733093 DJBQSVBWMCFOJU-PSASIEDQSA-N 465.660 4.786 50 10 JJGE CN([C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(CCl)oc1Br 2156445811 YQWAPUWZXJLILN-NVXWUHKLSA-N 476.820 4.785 50 10 JJGE C[C@H]1CN(S(=O)(=O)c2ccc(CBr)c(Cl)c2)[C@@H](C)CN1Cc1ccccc1 2179778758 GLRFQDQZAKFTRO-HOTGVXAUSA-N 471.848 4.518 50 10 JJGE C[C@@](CI)(OCCOCCOCCOCc1ccccc1)c1ccccc1 2236089167 PKPQQBDXHNFUHO-QFIPXVFZSA-N 484.374 4.603 50 10 JJGE C=CC[C@@]1(CBr)CCCN(C(=O)c2sccc2I)C1 2272143608 LYOHBZNOPXZVLU-AWEZNQCLSA-N 454.171 4.546 50 10 JJGE COc1ccccc1NC(=O)COc1ccc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 2293367063 KPEXJWKTODLWDR-UHFFFAOYSA-N 455.514 4.875 50 10 JJGE N#CC(=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1c[nH]c2ccccc12 2293763617 VNSLKTYSOVXYNM-UHFFFAOYSA-N 466.497 4.921 50 10 JJGE CN(C)C(=O)C(C#N)=Cc1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 2313567978 QRKGMFBVGNMTLD-UHFFFAOYSA-N 464.703 4.585 50 10 JJGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)OC 2313568235 QAUKVVREAAQQOW-UHFFFAOYSA-N 469.335 4.584 50 10 JJGE CCOc1ccc(NC(=O)COc2ccc(C=C(C#N)c3nc(O)c4ccccc4n3)cc2OC)cc1 2314433481 NRWRGMGCGZDCFS-UHFFFAOYSA-N 496.523 4.824 50 10 JJGE CCN(CC)C(=O)COc1ccc(C=NNC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)cc1 2321213008 BJISAWYMTHISRY-UHFFFAOYSA-N 478.980 4.722 50 10 JJGE N#CC(=CNCc1ccc(Cl)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324599220 UZWLHAMOYDEOEO-UHFFFAOYSA-N 471.004 4.771 50 10 JJGE COCCOc1ccc(C=C(C#N)C(=O)N[C@H](CC(C)C)C(=O)Nc2ccc3ccccc3c2)cc1 2331117869 UXKQUVSDNNPCSE-HHHXNRCGSA-N 485.584 4.942 50 10 JJGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1ccc(Cl)cc1I 2365587995 DEBVVVVXOGXZDO-LGYCOIBBSA-N 468.560 4.721 50 10 JJGE Cc1cc(C)c(/C=N/NC(=O)COc2c(C)cc(Br)cc2Br)c(C)c1 12482942 OYOVMGRKIHJMNQ-LSFURLLWSA-N 468.189 4.974 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1cccc2ccccc12 38657691 WJDQSKHGJYHFAU-MHZLTWQESA-N 493.475 4.951 50 10 JJGE COC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(-c3ccc(C)cc3)cc2)c(OC)c1 40858975 FPVSHDTWJHBNEP-HYARGMPZSA-N 457.482 4.735 50 10 JJGE N#C/C(=C/Nc1ccccc1C(N)=O)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 102415813 OZJMQRYHXRBHKZ-RAXLEYEMSA-N 493.342 4.754 50 10 JJGE N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1ccccc1C(=O)O 103485558 IBVGDWAMTXBWIF-XFXZXTDPSA-N 482.246 4.861 50 10 JJGE CCCN(CCBr)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 125577409 JRHTWYCQMLMJQL-UHFFFAOYSA-N 454.011 4.552 50 10 JJGE CCCCCCOc1ccc(/C=N\NC(=O)CSc2nc3ccccc3n2C)cc1OC 169876480 DYCHFWMILVYREF-XYGWBWBKSA-N 454.596 4.783 50 10 JJGE COc1ccc(Cc2nc3cc(C(=O)N/N=C\c4ccc(OCC(C)C)cc4)ccc3[nH]2)cc1 169925580 UUTWHRVSJMTACO-NTFVMDSBSA-N 456.546 4.961 50 10 JJGE CCCCOc1ccc(/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OC 214403677 UIGGDFDFTRWNEV-KQWNVCNZSA-N 474.557 4.718 50 10 JJGE C[C@H](CBr)CCCNC(=O)c1cc(Br)ccc1I 228277777 HIBRMRZLFGSFOC-VIFPVBQESA-N 488.989 4.595 50 10 JJGE CC(=NNC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1)c1ccc(C)cc1 253563098 FBCYEPBCODAQBY-UHFFFAOYSA-N 470.602 4.820 50 10 JJGE CCC[C@@H](CCBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 716956200 TUSYUZHEZQFECN-JTQLQIEISA-N 492.071 4.752 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)Oc2ccc(OCc3ccncc3)cc2)c(-c2ccccc2)n1 916849753 GHJDJVIVRDAKEY-QJOMJCCJSA-N 475.508 4.950 50 10 JJGE COc1ccc(OCc2ccc(C=NNC(=O)c3ccc(NC(=O)c4ccccc4)cc3)o2)cc1 1083905369 JKEKUGRKPZESDV-UHFFFAOYSA-N 469.497 4.883 50 10 JJGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCC(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)c1 1084005490 RVCWSSHRNTWPGY-UHFFFAOYSA-N 493.629 4.684 50 10 JJGE COc1ccccc1C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084462703 FALLKMOCCPVALT-UHFFFAOYSA-N 496.223 4.884 50 10 JJGE CC1(C)[C@H]2CC[C@]1(C)C(=NNC(=O)CSc1nnc(-c3ccc(F)cc3)n1C[C@H]1CCCO1)C2 1087755529 DAKXHKNGCPLQTM-SXMMONRFSA-N 485.629 4.674 50 10 JJGE O=[N+]([O-])c1ccc(Cl)cc1[C@@H]1CN(Cc2ccccc2)C[C@@H]1CI 1614614457 ITGPOXXALIJRDJ-WMLDXEAASA-N 456.711 4.899 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccc(Cl)cc2[N+](=O)[O-])C1 1614630623 SERHMXGJZHOSPF-ZWNOBZJWSA-N 466.703 4.634 50 10 JJGE Cc1c(C(=O)Nc2ccccc2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772746830 AMVWOESEHIHMOR-UHFFFAOYSA-N 466.881 4.872 50 10 JJGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 1772752305 SLZYYRVRGKTBEW-UHFFFAOYSA-N 455.511 4.566 50 10 JJGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865707632 BSMQBGUEGVCPBI-NRFANRHFSA-N 468.916 4.522 50 10 JJGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CCc4c(F)cccc4[C@H]3C2)n1 1868389240 UCXPYQUXYVTTDZ-JOCHJYFZSA-N 488.592 4.831 50 10 JJGE C[C@@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)CC1=O 1872752911 YSXRJDODJQFSKW-GPTVKUKTSA-N 459.527 4.941 50 10 JJGE COC(=O)c1c(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)sc(/C(C)=C/C#N)c1C 1873427564 ZXDSXWGOMBKTIS-SDNWHVSQSA-N 491.569 4.951 50 10 JJGE Fc1cc2c(cc1I)nc(CCl)n2C[C@H]1C[C@@H](Br)C1 1887924478 RBMFTZFHJKDFLF-OCAPTIKFSA-N 457.512 4.692 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)NCC(C)(C)[C@@H](C)Br)cc1Br 1913850362 ZGOQXZRHFSOHJU-SECBINFHSA-N 492.071 4.608 50 10 JJGE C[C@H](NC(=O)c1cc(Br)ccc1I)C(C)(C)CBr 2030082236 PNKNUSHZDHIMJD-QMMMGPOBSA-N 488.989 4.593 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNc1ccc([N+](=O)[O-])c(I)c1 2061268707 YPEAJWZFCRQFGD-UHFFFAOYSA-N 499.396 4.517 50 10 JJGE FC1(F)CO[C@H](COc2c(Br)cc(Br)cc2CBr)C1 2088531434 NPDGCLNTXWLNQE-VIFPVBQESA-N 464.926 4.910 50 10 JJGE Clc1ccc(I)c(CN2C[C@H]3[C@H](Br)CCC[C@H]3C2)c1 2094589757 BGJXIGQSCMKBJF-ZLKJLUDKSA-N 454.577 4.940 50 10 JJGE CC1(C)C[C@@H](Cl)CCN1C(=O)c1ccc(I)c(Br)c1 2113587871 AWGUVCKMGHPXGY-JTQLQIEISA-N 456.549 4.676 50 10 JJGE O=C(N[C@H]1CC[C@H](CBr)CC1)c1c(Br)cccc1Br 2118468549 QJTKAVPDNAMRBG-MGCOHNPYSA-N 454.000 4.895 50 10 JJGE CC(C)[C@@H]1[C@@H](Cl)CCN1C(=O)c1cc(Br)ccc1I 2126095024 SEMQGTMAMYEOBV-WCQYABFASA-N 456.549 4.532 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@@H]2CCC[C@H](C1)C2Br 2167777667 GYYGMEQWCUTXLV-XFLKPENQSA-N 466.011 4.847 50 10 JJGE COc1cc(F)c(Br)cc1[C@H](Br)c1c(Br)nn(C)c1C 2188145153 BICURPNJZUYOFJ-LBPRGKRZSA-N 470.962 4.886 50 10 JJGE C[C@H](Br)[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2193587181 SXWLPRXXUDEIHE-CPCISQLKSA-N 466.022 4.692 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1[C@H]2CCC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2257994917 NFWULPTYTLSKAJ-MKQMEDFFSA-N 489.748 4.954 50 10 JJGE O=C(NC[C@]1(CBr)C[C@H]1C(F)(F)F)c1scc(Br)c1Cl 2279175606 LIYMPXDTFOYHEF-LHLIQPBNSA-N 455.521 4.857 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@@H](Br)[C@H]1C1CC1 2295311068 FXKYQDYPMMIWQZ-UKRRQHHQSA-N 466.011 4.529 50 10 JJGE Brc1cc(I)cnc1N1CC[C@H]2C[C@@H](Br)CC[C@H]21 2310757447 JWJMWVWOQUZNEX-HOTUBEGUSA-N 485.989 4.591 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cccc(C(C)C)c2)c(OC)c1 2314785126 PBNLHKVUHKNDQM-UHFFFAOYSA-N 450.535 4.626 50 10 JJGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NN=Cc1ccc(Cl)c(Cl)c1 2320727287 KWQYBGSIQTWFSM-UHFFFAOYSA-N 457.342 4.582 50 10 JJGE BrC[C@H]1CC2(CC2)CN1Cc1ccc(I)c(Br)c1 2325227225 YEFZUQVGMYRRFG-LLVKDONJSA-N 485.001 4.803 50 10 JJGE CC(C)[C@H](C(O)=C(C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)N1C(=O)c2ccccc2C1=O 2331281199 RTBXEKOAKLCAQI-HXUWFJFHSA-N 474.498 4.832 50 10 JJGE CC(C)(C)c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(Cc2ccc4c(c2)OCO4)C3=O)n1 2331306110 LBOCCLNVGCQHEE-UHFFFAOYSA-N 487.537 4.915 50 10 JJGE O=C(NCC(F)(F)C(F)(F)CI)c1cccc(OCc2ccccc2)c1 2336538052 CVMPBWJICZCYRK-UHFFFAOYSA-N 481.227 4.701 50 10 JJGE ClC[C@H]1C[C@@H]2C[C@H](C1)CN(c1ncc(I)cc1Br)C2 2343297946 PXUSINJJYTZULL-JGPRNRPPSA-N 455.565 4.540 50 10 JJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2ccc(Cl)c(I)c2)[C@H]1C 2344521212 SQSRARMQTRBPCK-QXEWZRGKSA-N 456.549 4.579 50 10 JJGE CC(C)(C)OC(=O)NC1CC(C[S@@](C)(=O)=NC[C@](C)(CBr)C(C)(C)C)C1 2352114877 BLSXZARPGIKQTK-OLSJQJHSSA-N 453.487 4.835 50 10 JJGE N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc2c(c1)OCO2 3654444 MLGCSCNCKPVWNB-WINIVTDRSA-N 486.531 4.874 50 10 JJGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccc(OCCC(C)C)c(Br)c1 14645640 VXXHXXOFSGXMDB-UHFFFAOYSA-N 483.790 4.676 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2C)c2ccccc23)cc1 20558717 KWBSLEHFUKMIIA-RUZDIDTESA-N 499.592 4.920 50 10 JJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1 38688570 ZLMUZRSHWFQREH-SANMLTNESA-N 492.487 4.795 50 10 JJGE O=C(NNc1ncnc(N(Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-])c1cccc(Cl)c1 40658602 YPDWTNMMTNFMOQ-UHFFFAOYSA-N 475.896 4.528 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cn(Cc3ccccc3C#N)c3ccccc23)cc1 58893481 CJLKVKKUNPHNAO-ZHORMKCVSA-N 480.568 4.924 50 10 JJGE Cc1ccc(-c2cc(C(=O)NNC(=O)c3ccc[nH]/c3=N/c3cccc(F)c3)c3ccccc3n2)cc1 107909785 NOVHFCUVXGVDHY-UHFFFAOYSA-N 491.526 4.985 50 10 JJGE C=CCC1=CC=C/C(=C\NNC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)C1=O 136331411 YDRJKWJZFWGCIA-CJLVFECKSA-N 470.598 4.631 50 10 JJGE Cc1cc(Oc2ccccc2)ccc1N(C(=O)CCl)[C@@H](C(=O)N1CCN[C@H](C)C1)c1cccs1 205187673 QZNZEEVDEXBNPK-KBMIEXCESA-N 498.048 4.982 50 10 JJGE C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NN=C/C=C2/N(C)c3ccccc3C2(C)C)cc1 254696552 TVDOBZZYSYKFFL-HNYFUWMDSA-N 488.632 4.882 50 10 JJGE CC(C)(C)C[C@H](CBr)NS(=O)(=O)c1cc(Cl)c(Br)s1 393453188 AHZSUGGRYLMTEZ-SSDOTTSWSA-N 453.649 4.642 50 10 JJGE Cc1cn([C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O 504626968 DDLOCFSZSYGOPG-KSZLIROESA-N 470.759 4.957 50 10 JJGE C[C@H](Cl)[C@@H]1CCCN(C(=O)c2cc(Br)ccc2I)C1 689043898 OKAAGBZZXPTENJ-VHSXEESVSA-N 456.549 4.533 50 10 JJGE CC(=NNC(=O)CCC1CCCCC1)c1ccc(NC(=O)C[C@H]2Nc3ccccc3NC2=O)cc1 727260677 UYGLVLCMCNANNW-XMMPIXPASA-N 475.593 4.649 50 10 JJGE CCCCCCCCOc1ccc(OCC(=O)NN=Cc2ccc(OC)c(OC)c2OC)cc1 1084379237 WBANTIJARWKJRK-UHFFFAOYSA-N 472.582 4.981 50 10 JJGE COc1ccc(C=NNC(=O)c2cccc(Br)c2)cc1COc1ccc(NC(C)=O)cc1 1084381765 HACXFTZTJAIYGI-UHFFFAOYSA-N 496.361 4.759 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccc(C(F)(F)F)cc2N)C1 1614642996 PPCRBDBEBSKIDC-ZWNOBZJWSA-N 470.273 4.673 50 10 JJGE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1 1858684966 WIMYAVKKVPITLJ-MRXNPFEDSA-N 464.478 4.878 50 10 JJGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3C)cc1OC 1865691145 KKUJJUPRGYIENH-LJQANCHMSA-N 475.387 4.677 50 10 JJGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865692762 PDMRKVMKPBVHFY-DEOSSOPVSA-N 482.540 4.832 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)ccc1OC(C)C 1865695827 HQJQYHOINLPKLP-QHCPKHFHSA-N 464.953 4.907 50 10 JJGE COc1cccc([C@H](C)CC(=O)N[C@@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)c1 1867111076 MOSZRSVAIOHPBX-IERDGZPVSA-N 457.621 4.639 50 10 JJGE Cn1ncc(Cl)c1[C@@H](Br)c1sc(Cl)cc1I 1900924290 JNIJAZCERROWJY-SSDOTTSWSA-N 451.942 4.877 50 10 JJGE Brc1cc([C@H](Br)[C@H]2CCn3ncnc3C2)c(Br)s1 2046630142 KZIWAUIEQUZKSO-QUBYGPBYSA-N 456.001 4.563 50 10 JJGE Clc1cc2c(c([C@H](Br)c3cc(I)sn3)c1)OCC2 2056488731 YINGEGGNKOYIPP-NSHDSACASA-N 456.530 4.820 50 10 JJGE Cc1cc(C)c(-n2nc(CBr)c(I)c2C(F)(F)F)c(C)n1 2078932748 NTMAJFSWLOSBIY-UHFFFAOYSA-N 474.062 4.711 50 10 JJGE COC[C@]12C[C@]([C@@H](Br)c3cc(Br)c(Br)s3)(CO1)C2 2085222719 PRSZCXASLJMXTA-DLOVCJGASA-N 461.013 4.905 50 10 JJGE C[C@]1(CBr)CCCCN1C(=O)c1cccc(Br)c1Br 2092344137 WYSYXMCPZYMIEJ-CQSZACIVSA-N 454.000 4.991 50 10 JJGE CC1(C)CC(CBr)(NC(=O)c2cccc(Br)c2Br)C1 2107255409 DHAKWLGRRBXINN-UHFFFAOYSA-N 454.000 4.895 50 10 JJGE CC1(C)CN(Cc2cc(Br)ccc2Br)C[C@@H](CBr)O1 2118519474 KKMIFGBTEWDFQJ-GFCCVEGCSA-N 456.016 4.586 50 10 JJGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cn1 2123233741 IBQQZMPUQMNDIJ-HNNXBMFYSA-N 451.411 4.990 50 10 JJGE COc1cc(F)c([C@H](Br)c2nn(C)cc2Br)cc1Br 2138160759 NKVIWJAUOBRYMW-NSHDSACASA-N 456.935 4.577 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@@H](CBr)[C@@H](C(F)(F)F)C1 2163353960 SZJDQHNYCJYPTN-VDTYLAMSSA-N 499.972 4.919 50 10 JJGE CC(C)(C)OC(=O)Nc1ccc([S@@](C)(=O)=NC(=O)[C@@H](Br)C2CCCC2)cc1 2167034375 WONXZBWLQIQNPB-RKOGDMNLSA-N 459.406 4.971 50 10 JJGE CC(C)(C)OC(=O)N1CC2(CCS(=O)(=NCC3(CBr)CCCCC3)CC2)C1 2176122548 FRMTUEVFCBPZGD-UHFFFAOYSA-N 463.482 4.831 50 10 JJGE O=C(NCC[C@H]1CCCC[C@@H]1Br)c1cc(I)ccc1F 2179625647 BUGSCHDXEMBFCJ-MFKMUULPSA-N 454.121 4.504 50 10 JJGE O=C(N[C@H](CBr)[C@H]1CC=CCC1)c1cc(Cl)ccc1I 2196151142 NRNHNGLVCHZQAQ-IINYFYTJSA-N 468.560 4.794 50 10 JJGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2241637982 QORHZXUBNHBLTE-HDICACEKSA-N 485.422 4.937 50 10 JJGE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C=C(C#N)C(=O)Nc1ccc(Br)cc1 2313548160 NJFALSHHJNHTAT-UHFFFAOYSA-N 466.295 4.706 50 10 JJGE COc1cccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c1 2331248931 GSBWYRZLISMBLE-UHFFFAOYSA-N 490.497 4.596 50 10 JJGE O=C(NCC1(CBr)CCCC1)c1ccc(Cl)cc1I 2340054494 NIRGDWOJFPDQAN-UHFFFAOYSA-N 456.549 4.630 50 10 JJGE C[C@@]1(CBr)CC(F)(F)CN1Cc1cc(I)ccc1Cl 2352412183 ZAANEJFSGBZUPX-LBPRGKRZSA-N 464.519 4.939 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CC[C@@H](CBr)C12CCC2 2365595236 HYZMPCGGVMKFTR-JTQLQIEISA-N 468.560 4.724 50 10 JJGE COc1ccccc1[C@@H](CI)OCc1cccc(I)c1 2367351340 BCFFEJDOTGARKB-MRXNPFEDSA-N 494.110 4.993 50 10 JJGE O=C(N[C@H]1C[C@@H](CBr)C12CCC2)c1cccc(Br)c1Br 2379697427 SFHFZFZGCSUIRV-CABZTGNLSA-N 466.011 4.895 50 10 JJGE C[C@@](CI)(OC[C@H]1O[C@H]2CC[C@H]1C2)c1ccccc1Br 2380671122 GDBMQCHGVMYDFR-RKLWJJNISA-N 451.142 4.683 50 10 JJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 12578956 UIVCCEUBWFIMAH-OAHLLOKOSA-N 486.355 4.783 50 10 JJGE COc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(OCc2ccccc2)cc1 20258388 FDZPTRXDSLCESA-AFUMVMLFSA-N 469.335 4.566 50 10 JJGE C[C@H]1CCc2c(sc(NC(=O)/C(C#N)=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2C(N)=O)C1 33537900 FAUMZBJJOAKNFO-WZMONFQBSA-N 476.514 4.686 50 10 JJGE Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 33930028 WWPFTQZUPYEYIM-PDGQHHTCSA-N 472.413 4.576 50 10 JJGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc21 38649954 VDBRPAJZTUJHFJ-DEOSSOPVSA-N 462.889 4.551 50 10 JJGE Cc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C)cc3C)nc3ccccn3c2=O)c1 39858862 JLTIZILJKJDUFT-HKWRFOASSA-N 450.498 4.958 50 10 JJGE COC(=O)/C(C#N)=C/c1cccc(OC(=O)COc2cc(C)c(Cl)c(C)c2Br)c1 40944687 JJJQHYBKXFXVTL-OVCLIPMQSA-N 478.726 4.784 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3C#N)c(OC)c2)cc1 58893148 ZUGIYBXLRJGOIB-NYFJFQCHSA-N 487.556 4.508 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)cc1 58894487 KCPJPZXHDZGTQU-WVOIHLJESA-N 491.588 4.552 50 10 JJGE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)c1 101334751 VNIUAJISWUEXHB-ZVHZXABRSA-N 466.541 4.796 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1cc(C)ccc1C 206399469 LMJMKHUNKMFZCD-UCQKPKSFSA-N 470.525 4.520 50 10 JJGE C[C@@H](CBr)CCCNC(=O)c1cc(Br)ccc1I 228277767 HIBRMRZLFGSFOC-SECBINFHSA-N 488.989 4.595 50 10 JJGE O=C(NC[C@@H]1CCCC[C@@H]1CCl)c1cc(I)ccc1Br 236014955 DCURNOWWUYVGLM-MNOVXSKESA-N 470.576 4.829 50 10 JJGE O=C(NC[C@@H](Cl)c1ccccc1)c1cc(Br)ccc1I 236024904 XYGAQAAWSOUWDL-CYBMUJFWSA-N 464.528 4.764 50 10 JJGE Cc1ccc(-c2ccc(C=NNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)o2)cc1[N+](=O)[O-] 254671531 VTZWLEQDHMEVFG-UHFFFAOYSA-N 480.480 4.782 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H](CBr)C1)c1ccc(I)c(Cl)c1 380155647 YFVPJGTZOKTIDJ-GHMZBOCLSA-N 470.576 4.876 50 10 JJGE CC(C)(C)CN(CCBr)c1ncc(C(F)(F)F)cc1I 686109073 XXKBAGDXKBZVSK-UHFFFAOYSA-N 465.095 4.952 50 10 JJGE CN(C[C@@H]1CCC[C@H]1Br)C(=O)c1ccc(Br)cc1Br 689218072 KZFQGJOQASBOQG-JOYOIKCWSA-N 454.000 4.847 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c(C)n1-c1cccc(Cl)c1 726947665 FBVICDZMTGVTJB-WQRHYEAKSA-N 492.929 4.714 50 10 JJGE C[C@@H]1CCCC[C@H]1OCCNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 916060706 CROZFBAJSQDSSR-BFZGFGPOSA-N 465.985 4.736 50 10 JJGE C[C@@H]1CCCN(Cc2ccccc2CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)C1 918583369 FRVFMUSDLQCYPF-RQFMOZSRSA-N 492.627 4.919 50 10 JJGE Cc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)cc1C 1083947074 JESSHFHUVXFDPL-UHFFFAOYSA-N 467.367 4.562 50 10 JJGE C/C(=C\C(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 1596866916 QHRMCOPBUDAAGQ-PKNBQFBNSA-N 452.376 4.546 50 10 JJGE COc1ccc(C(=O)COc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)c(OC)c1 1858861488 HJXNOOQCFBWSHH-UHFFFAOYSA-N 464.503 4.578 50 10 JJGE CCNCc1cc(Br)cc(Br)c1OC[C@H]1C[C@@H](Br)C1 1887833159 OKDNXAPCMXBJCV-JGZJWPJOSA-N 456.016 4.873 50 10 JJGE Cc1cc(C[C@@H](Br)CN2C(=O)c3ccccc3C2=O)c(C)cc1Br 1905372271 UFQQSBDFDQZJBN-CQSZACIVSA-N 451.158 4.668 50 10 JJGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)c1sccc1Br 1915767949 DZDIQTVVPJFOIH-UHFFFAOYSA-N 467.248 4.875 50 10 JJGE Brc1ccc(CN2C[C@H](Br)C[C@]3(CCCO3)C2)c(Br)c1 1924249287 CBELASQITGYZTG-UKRRQHHQSA-N 468.027 4.730 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCC2(CCC2)N(C(=O)OC(C)(C)C)C1 2010828327 FDBWSLODQHGEPP-KRWDZBQOSA-N 475.721 4.804 50 10 JJGE BrCCN(c1ncc(I)cc1Br)C1CCCC1 2015757990 YHROHJJFMTUWAW-UHFFFAOYSA-N 473.978 4.593 50 10 JJGE CC1(C)[C@H](CBr)CCN1C(=O)c1csc(Br)c1Br 2034118883 DEBGOCNDQGKZJG-ZETCQYMHSA-N 460.029 4.909 50 10 JJGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CO[C@H]2COC[C@H]12 2040324144 CNTTUINQPJHCEK-SPPFEBNGSA-N 481.431 4.977 50 10 JJGE C[C@](CBr)(NC(=O)c1cc(Br)c(Br)s1)C(F)(F)F 2043172017 SRMGNAPEKIQLBF-MRVPVSSYSA-N 473.934 4.719 50 10 JJGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Br)c1c(Cl)sc(Br)c1Cl 2054221301 ZLAXYJMGNGEUPT-UELCQGJWSA-N 455.020 4.544 50 10 JJGE O=C(CBr)c1cc(Br)c(I)c(OC(F)(F)F)c1 2054820876 XODMXYIIWONWKC-UHFFFAOYSA-N 487.835 4.530 50 10 JJGE CN([C@@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Cl 2123201232 UFNFVNVZJPNHBP-QZTJIDSGSA-N 458.805 4.603 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Br)C2 2134109601 CRLYHDKIOZPRSA-UEGXPFIPSA-N 476.003 4.752 50 10 JJGE O=C(N[C@H]1CCCC[C@H]1CCl)c1ccc(Br)cc1I 2142284848 IKKRQKJREKYYCI-ZANVPECISA-N 456.549 4.581 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2CCC[C@]2(CBr)C1 2159407675 GFFKZGYKXSHIPE-BMIGLBTASA-N 466.011 4.849 50 10 JJGE CC(C)(C)OC(=O)N[C@H](C[S@@](C)(=O)=NC(=O)[C@H](Br)C1CCCC1)C(C)(C)C 2167032093 HPSQOEWCWNBWLH-LGRMXARXSA-N 467.470 4.504 50 10 JJGE O=C(NC[C@H]1C[C@H](Cl)C12CCC2)c1cc(I)ccc1Br 2172230641 CXGGNSCJVWLRSH-RNCFNFMXSA-N 468.560 4.581 50 10 JJGE CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cc1Cl 2179795226 PHKSVJHAPWSOFD-GOSISDBHSA-N 471.848 4.520 50 10 JJGE C[C@@H](c1cscc1Br)N(C)S(=O)(=O)c1ccc(CBr)s1 2186582545 WJCWQFUNPCFLOK-QMMMGPOBSA-N 459.250 4.849 50 10 JJGE CC1(C)CC[C@@H](Br)CN1C(=O)c1ccc(Cl)c(I)c1 2268339301 FVJADPKQHWVDML-SNVBAGLBSA-N 456.549 4.723 50 10 JJGE CC[C@@H](C[C@H](C)Br)NC(=O)Cc1cc(Br)cc(Br)c1 2277935573 PXOGTPFYMQAPQJ-ZANVPECISA-N 456.016 4.822 50 10 JJGE N#CC(C(N)=O)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1 2293038660 RRAFFQZLAMNBFJ-INIZCTEOSA-N 497.201 4.667 50 10 JJGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccccn2)cc1 2293735569 DRJZWCZZAQYSFB-UHFFFAOYSA-N 475.980 4.502 50 10 JJGE O=C(NN=C1C(=O)N(CC=Cc2ccccc2)c2ccccc21)c1cccc(Br)c1 2313649689 NWYSBRSSKJUGMR-UHFFFAOYSA-N 460.331 4.643 50 10 JJGE CO[C@@H]1CC([C@@H](Br)c2sc(Cl)cc2I)C[C@H]1OC 2316607828 WEKIBFMJWIVQBA-FXPVBKGRSA-N 465.578 4.882 50 10 JJGE COc1cc(C=NNC(=O)Cc2ccc(N)cc2)ccc1OCc1ccc(Cl)cc1Cl 2323318135 ZDJOUDLHHVDBBI-UHFFFAOYSA-N 458.345 4.856 50 10 JJGE CCCOc1c(Br)cc(C=NNC(=O)Cc2ccc(Cl)cc2)cc1OCC 2323348051 ONMDQFOCAYOPNS-UHFFFAOYSA-N 453.764 4.983 50 10 JJGE FC(F)COCCOc1c(Br)cc(Br)cc1CBr 2328158761 ZXIKSYOFYBCIDY-UHFFFAOYSA-N 452.915 4.767 50 10 JJGE CCOc1cc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCc1ccc(C)cc1 2328799242 RLIAIDDCRZYDDS-QFIPXVFZSA-N 481.593 4.822 50 10 JJGE C[C@@H]1[C@H](Br)CCN(C(=O)c2cc(Br)cc(Br)c2)[C@@H]1C 2344519980 IDWFDIUODZWILX-IGJMFERPSA-N 454.000 4.846 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2CC[C@H]1[C@H](Br)C2 2377485047 OZMGGYJOTVTBGA-FZZIBODNSA-N 466.011 4.529 50 10 JJGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)COc2ccc3ccccc3c2Br)c1 12488059 PRSFRPGYUZWTJG-UHFFFAOYSA-N 485.378 4.639 50 10 JJGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 14652844 RJFFNMKXRWFKPU-OAHLLOKOSA-N 471.351 4.620 50 10 JJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC)c(OCC)c2)sc2c1CCCC2 34719658 LINCCSHGZXSTBV-VBKFSLOCSA-N 454.548 4.757 50 10 JJGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)c1 38684534 BZPZTZYULDMKFZ-HHHXNRCGSA-N 468.509 4.762 50 10 JJGE Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)Cc2ccccc2)cc1 58883619 JDVVLVUFLQOZIX-MTDXEUNCSA-N 477.630 4.634 50 10 JJGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccccc1Cl 58889667 PHBMWYJBAILLIL-IEZSBWOXSA-N 452.938 4.892 50 10 JJGE C[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC[C@@H]1Br 167882321 PWAJXZMLJNXLAY-CBAPKCEASA-N 466.022 4.550 50 10 JJGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccccc2C(C)(C)C)c(OC)c1 207139564 NMJMJNLZJHLJNW-HKWRFOASSA-N 464.562 4.800 50 10 JJGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)C1=O 214227825 GUIXETLZFNRRIT-JLPGSUDCSA-N 466.541 4.940 50 10 JJGE CCC(CC)N(CCBr)C(=O)c1ccc(I)c(Cl)c1 232348169 RXFZMTLZBDYCNF-UHFFFAOYSA-N 458.565 4.970 50 10 JJGE O=C(NC[C@@H]1CCCC[C@H]1Br)c1ccc(I)c(Cl)c1 232349147 MEYYWYYUSONLBR-WDEREUQCSA-N 456.549 4.628 50 10 JJGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2ccccn2)cc1 252627368 RSSCKICJSSNCPU-UHFFFAOYSA-N 484.581 4.549 50 10 JJGE CCN(CC)c1ccc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1 254500250 JCDGCJYURQEPEU-DDZWUUBSSA-N 483.616 4.520 50 10 JJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc4c(c3)OCO4)cc2)cc1 254509085 LGCXXSXZFYHHLD-UHFFFAOYSA-N 460.486 4.577 50 10 JJGE O=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1csc(-n2nc(C(F)(F)F)cc2-c2ccccc2)n1 254704637 SVFXLPPWARJNTR-UHFFFAOYSA-N 486.435 4.687 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CCC[C@@H](CBr)CC1 381081866 AZBPCFYKEYMXLM-SNVBAGLBSA-N 454.000 4.849 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2cc(Cl)ccc2O)[C@@H](CI)C1 382696846 LDKOVUCPAZPMCC-YOEHRIQHSA-N 471.722 4.833 50 10 JJGE CC(C)(C)C[C@H](CBr)NS(=O)(=O)c1cc(Br)ccc1Br 393464314 BHCXKBNEBQUTBT-SNVBAGLBSA-N 492.071 4.690 50 10 JJGE BrCc1ccc(N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)c(Br)c1 404202806 SBJDCTPTEXNEDL-SFTDATJTSA-N 480.244 4.824 50 10 JJGE C[C@@H](Br)[C@H]1CCCCN1c1ncc(C(F)(F)F)cc1I 686107694 XVJIDCCSKOHSRD-LDYMZIIASA-N 463.079 4.847 50 10 JJGE CN(C[C@@H]1CCC[C@H]1Br)C(=O)c1cc(Cl)ccc1I 689220893 ZDUXMDNPBVRUJO-JOYOIKCWSA-N 456.549 4.580 50 10 JJGE O=C(NC1(CCCl)CCSCC1)c1cc(I)ccc1Br 719665464 LQOWGESTWRGUIX-UHFFFAOYSA-N 488.616 4.678 50 10 JJGE CCOc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1Br 725388472 YLHLXUVGFGABMK-QGZVFWFLSA-N 484.188 4.574 50 10 JJGE CCN(CC)c1ccc(C=NNC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 1083891803 HGDXXERDPKCLIB-UHFFFAOYSA-N 483.660 4.615 50 10 JJGE C=CCOc1ccc(Br)cc1C=NNC(=O)[C@@H](C)Oc1ccc(Br)cc1 1084293024 VUJDXFYBWSWHBH-CYBMUJFWSA-N 482.172 4.694 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(Cl)cc1 1084439328 CPCSLFDAZGZXFD-UHFFFAOYSA-N 473.758 4.599 50 10 JJGE CC(=O)c1cc(C(=O)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)ccc1OC(C)C 1135737580 WVTABWMTXBYKNC-UHFFFAOYSA-N 457.486 4.559 50 10 JJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865708408 WGDAKIVWPQAIKF-HSZRJFAPSA-N 468.488 4.914 50 10 JJGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711855 JGQNNIBKAGBKOH-VWLOTQADSA-N 482.540 4.832 50 10 JJGE CC(C)(C)OC(=O)N[C@@H](CBr)[C@@H]1CCCN(C(=O)OC(C)(C)C)CCC1(F)F 1893341702 HOWGLPFTDAQVNB-KBPBESRZSA-N 471.383 4.947 50 10 JJGE CC(C)[C@H](CCl)N(Cc1ccccc1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1915281016 OSJMNTBJSYAKJM-QHCPKHFHSA-N 491.053 4.548 50 10 JJGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)c1cscc1Br 1915754835 DRLCJZFEOFMMLD-UHFFFAOYSA-N 467.248 4.875 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCc2sc(Br)cc21 2010826287 ZMUVEHKUGYAUJD-GFCCVEGCSA-N 453.493 4.994 50 10 JJGE CN(C[C@H]1C[C@H]1Br)C(=O)c1ccc(Br)c(NC(=O)OC(C)(C)C)c1 2020199398 DPMUQAOPURELLA-DGCLKSJQSA-N 462.182 4.652 50 10 JJGE O=C(N[C@H]1CCC[C@@H]1CCBr)c1cc(Br)cc(Br)c1 2090571060 GEUPHYGDMOWDDO-RNCFNFMXSA-N 454.000 4.895 50 10 JJGE O=C(NC[C@H]1CCCC[C@@H]1Br)c1c(Br)cccc1Br 2094088634 NEYBQTOKKIYVNS-ZJUUUORDSA-N 454.000 4.895 50 10 JJGE FC(F)(F)[C@]1(CBr)CCN(c2ncc(Br)cc2Br)C1 2111392816 QMPLEEVKTMTBSM-JTQLQIEISA-N 466.921 4.760 50 10 JJGE BrCCO[C@H]1CCCN(Cc2cc(Br)ccc2Br)C1 2118519163 GYRAKTSAPRKHPS-ZDUSSCGKSA-N 456.016 4.588 50 10 JJGE Cc1oc(C)c(S(=O)(=O)N(CCC(F)(F)F)Cc2ccccc2)c1CBr 2123199818 YFURQLFVOLQFHT-UHFFFAOYSA-N 454.308 4.935 50 10 JJGE O=C(c1cc(Br)sc1Br)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Br)C2 2134115570 YFUZJIVNRTUFHD-RXHUMLQZSA-N 476.003 4.752 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@@H](Br)C2(CCCC2)C1 2174367506 BONMBACXKUOWHB-CYBMUJFWSA-N 466.011 4.991 50 10 JJGE C[C@@H](CCCCCI)NC(=O)Cc1ccc(Br)cc1F 2174524004 PFPDSRPQFMLOOM-NSHDSACASA-N 456.137 4.631 50 10 JJGE O=C(c1c(Br)cccc1Br)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2184576766 FWQIUGQXNXELRH-JGPRNRPPSA-N 466.011 4.990 50 10 JJGE CC1(C)[C@@H](Br)CCCN1c1ncc(C(F)(F)F)cc1I 2196915718 BFJAMLCUBSNRJA-JTQLQIEISA-N 463.079 4.847 50 10 JJGE O=S(=O)(c1cc(CCl)sc1Br)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2234716292 UKCNRXDFJFKULC-IYBDPMFKSA-N 489.888 4.677 50 10 JJGE CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@H](CI)O2)C[C@H]1C(F)(F)F 2252609897 TULSISOLTOZMEQ-TYNCELHUSA-N 463.278 4.691 50 10 JJGE Cc1cc(I)ccc1-n1c(CCl)nc2cc(Br)cnc21 2283579010 FTQGBQYLRCVKLA-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE C=CC[C@@]1(CBr)CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 2287847205 UTXLMVDEQNYYJP-LBPRGKRZSA-N 463.644 4.516 50 10 JJGE COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)C(C#N)=Cc1ccc2c(c1)OCO2)c1ccccc1 2297348622 QPQALJDTIXGDDW-VWLOTQADSA-N 470.481 4.563 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)c(C)c1 2314609967 AZGIVNNJDYLSOR-UHFFFAOYSA-N 466.541 4.857 50 10 JJGE Brc1cc(CN2CC[C@H](Br)CC23CC3)ccc1I 2325203885 JWZCEHPSBLQQMO-NSHDSACASA-N 485.001 4.946 50 10 JJGE FC1(F)C[C@@H](CCl)N(Cc2ccc(I)c(Br)c2)C1 2325212868 HVDGYZYHMZFAHU-VIFPVBQESA-N 450.492 4.502 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1[C@@H](CBr)CCC12CCC2 2365595911 OZLSOSVWZVGSFD-LLVKDONJSA-N 468.560 4.867 50 10 JJGE CC(C)CO[C@H]1[C@@H](OCc2cc(I)ccc2Br)C[C@H]1Cl 2367611459 PIFQXBGNLUVHPC-QLFBSQMISA-N 473.576 4.991 50 10 JJGE N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 9404104 PKRQFSAJZVKBTE-KAMYIIQDSA-N 478.555 4.908 50 10 JJGE Cc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3cccc(C)c3)nc3c(C)cccn3c2=O)c1 39858632 DJAGEYCJXMCPAR-HKWRFOASSA-N 450.498 4.958 50 10 JJGE Cc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 205645385 MMWTWGMSXJVXAZ-CNPINADKSA-N 453.454 4.740 50 10 JJGE O=S(=O)(NCc1ccc(CBr)cc1)c1cc(Cl)c(Br)s1 227508139 GBRKVSWWKSWYOP-UHFFFAOYSA-N 459.612 4.537 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2c(F)cccc2F)C1 382694154 SDQHZAXZQYDOSQ-CABCVRRESA-N 457.258 4.752 50 10 JJGE COc1ccc(Br)cc1[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CI 382711044 YLBFHPMQBHJZOX-SMDDNHRTSA-N 496.183 4.843 50 10 JJGE C[C@H]1[C@H](C)N(S(=O)(=O)c2cc(CCl)sc2Br)C[C@@H](C)N1Cc1ccccc1 404267697 GEEUGPSAISOWDI-ILXRZTDVSA-N 491.904 4.921 50 10 JJGE CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNC(=O)c2cc(C)oc2C)cs1 915904111 ROSKWCHHNQEYTR-UHFFFAOYSA-N 450.442 4.820 50 10 JJGE C=CCOc1ccc(/C=C\C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1OC 1135718754 HHAWJFGIUUAOON-ACAGNQJTSA-N 452.507 4.602 50 10 JJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1OCC 1865691034 HLWMDIHDQZCGAQ-IBGZPJMESA-N 485.466 4.692 50 10 JJGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702489 VZZBCOMGQJPVEW-LJQANCHMSA-N 471.305 4.753 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1OC 1865706836 GOXMISHJDLYRRP-DEOSSOPVSA-N 482.515 4.973 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1OC 1865707488 XXFKGTARBCAWTP-GOSISDBHSA-N 490.869 4.839 50 10 JJGE CCC[C@@H](NC(=O)C[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866732892 ZCXXMQIBTGMHPR-FGZHOGPDSA-N 479.602 4.838 50 10 JJGE N#CSc1ccc(NC(=O)CNC(=O)CCc2ccc3nc(O)c(-c4ccccc4)cc3c2)cc1 1868147473 LBVQRKTUJYWMHQ-UHFFFAOYSA-N 482.565 4.868 50 10 JJGE COc1cccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc(Br)cc4C3=O)n2)c1 1872744448 SKGXJVLJUBMKAX-ZPHPHTNESA-N 496.342 4.670 50 10 JJGE O=S1(=O)CC[C@H]1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 1899892174 JLSRPTQSDDONNG-DLBZAZTESA-N 460.187 4.651 50 10 JJGE CC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CS(=O)(=O)C1 1923073854 BUFWOACNYQGVBQ-LURJTMIESA-N 487.460 4.797 50 10 JJGE CCn1cc(Br)c(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)n1 2010560259 BLCCFTGXZLUJPE-INIZCTEOSA-N 457.210 4.727 50 10 JJGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1cc(CCl)n(C2CC2)c1)Cc1ccccc1 2034751997 QYUSZMNWFTZWLB-UHFFFAOYSA-N 472.054 4.885 50 10 JJGE CN(C(=O)c1ccc(Br)cc1I)C(C)(C)CCBr 2086150736 FHTYIAINBRTEEU-UHFFFAOYSA-N 488.989 4.689 50 10 JJGE CN(C1CC(OCc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)c(Cl)c1 2123271127 PSXWGCHGAPPCME-UHFFFAOYSA-N 458.805 4.603 50 10 JJGE O=C(N[C@@H]1CCCC[C@H]1CCBr)c1ccc(F)cc1I 2146720606 UVJUXHHJTLOXTE-IINYFYTJSA-N 454.121 4.504 50 10 JJGE C[C@H]1Cc2cc([C@@H](Br)c3cc(Br)n(C)n3)cc(Br)c2O1 2150478514 LIUNJYNSRUNYQM-WPPNPWJKSA-N 464.983 4.753 50 10 JJGE CC1CC(CBr)(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 2163541944 XRRHKCMHFYUELG-UHFFFAOYSA-N 466.022 4.598 50 10 JJGE O=C(NC[C@H]1CCCC[C@@H](Cl)C1)c1cc(I)ccc1Br 2163753713 LQZSDJWBBLEJOV-WDEREUQCSA-N 470.576 4.971 50 10 JJGE Brc1cccc(Br)c1CN1C[C@H](Br)C2(CCOCC2)C1 2174368296 JZBKWJLYNHAGII-AWEZNQCLSA-N 468.027 4.588 50 10 JJGE FC(F)(F)c1cnc(N2C[C@@H](Br)CCC23CC3)c(I)c1 2235745569 DMJQNTMHBGEMCM-VIFPVBQESA-N 461.063 4.601 50 10 JJGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CC(CCCBr)C1 2239089192 CWWMNMLSLXFBBM-UHFFFAOYSA-N 466.022 4.552 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2C[C@@H](Br)CC[C@H]2C1 2283660555 CMCJJFPQLJGCJY-TUAOUCFPSA-N 468.560 4.580 50 10 JJGE O=S1(=O)CCCC[C@@H]1[C@@H](Cl)c1c(F)cc(Br)c(F)c1Br 2288353097 JVMWIWKRSOIJGU-LDYMZIIASA-N 452.542 4.737 50 10 JJGE CCN(C)C[C@@H](Br)CCc1ccc(I)c(Br)c1 2306223929 LAIKXKWALAJKIK-NSHDSACASA-N 475.006 4.702 50 10 JJGE COc1cc(C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314610869 NMRYWPITMHIHSS-UHFFFAOYSA-N 450.922 4.928 50 10 JJGE COc1cccc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1OCc1cccc(Cl)c1 2328829460 FQXZSEBEAJVQHA-FQEVSTJZSA-N 487.984 4.777 50 10 JJGE CCOC(=O)c1cnn(-c2ccc(Cl)cc2)c1NC(=O)C(C#N)=Cc1cccc(Cl)c1 2329687558 WHCSDEHYVITMHU-UHFFFAOYSA-N 455.301 4.901 50 10 JJGE FC1(F)CN(Cc2ccc(Cl)c(I)c2)CC[C@H]1CBr 2337225244 JKPXUSABQGVKLS-JTQLQIEISA-N 464.519 4.797 50 10 JJGE Clc1ccc(CN2C[C@H]3[C@@H](Br)CCC[C@H]3C2)c(I)c1 2341059343 KATMQQMVNFFLEF-GDLCADMTSA-N 454.577 4.940 50 10 JJGE C[C@@H]1[C@@H](Cl)CCN(C(=O)c2cc(Br)ccc2I)[C@H]1C 2344510888 WEDKLECHRBIDNA-AUTRQRHGSA-N 456.549 4.532 50 10 JJGE ClCc1nc(OCc2ccc(I)c(Br)c2)ncc1Cl 2350073831 UYMRBOKYNSLIAD-UHFFFAOYSA-N 473.923 4.815 50 10 JJGE COc1cccc(COc2ccccc2/C=N/NC(=O)[C@@H](C)Oc2ccccc2Br)c1 20311546 XJKPSWSOSIVAAM-CIRUFVMISA-N 483.362 4.954 50 10 JJGE CCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c(OCC)c1 33959217 WXKITQJHIVNNNK-WPWMEQJKSA-N 486.565 4.751 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 38655083 KMQNWFXDFZFMGW-OAQYLSRUSA-N 492.831 4.594 50 10 JJGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5cccnc5)c(C)c43)coc2c1 40826949 QALGEBBZVGHHID-TWKHWXDSSA-N 470.529 4.998 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OS(=O)(=O)c1ccccc1 83293388 MODWRIBCPFXRIB-HKWRFOASSA-N 462.527 4.707 50 10 JJGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CC[C@H](CCBr)C1 125210485 YYCHZERSJOQSSO-QMMMGPOBSA-N 466.022 4.552 50 10 JJGE CC(C)(C)c1ccc(Cn2cccc(C(=O)N/N=C\c3ccccc3C(F)(F)F)c2=O)cc1 169921118 MCJJMJQGSWPWON-FDVSRXAVSA-N 455.480 4.977 50 10 JJGE CC(C)(C)[Si](C)(C)O[C@H]1CC[C@]2(C)[C@H]3C(=O)C[C@@]4(C)[C@@H](CC[C@]4(O)C(=O)CO)[C@@H]3CC[C@@H]2C1 204862964 BDSXTAZQULRQBM-VXXVCULFSA-N 478.746 4.891 50 10 JJGE in-vitro Cc1cc(I)ccc1N/C=C(/C#N)C(=O)Nc1ccc(Br)cc1 216781944 NGILDTDJSAJEGD-BENRWUELSA-N 482.119 4.820 50 10 JJGE C=CCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)cc1 254294690 QFLKMALCKKAINC-YXWCMDNCSA-N 456.498 4.643 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3C)cc2OCC)cc1 254797544 JFLLZRYWKFTZSF-UHFFFAOYSA-N 490.556 4.931 50 10 JJGE Cc1ccccc1-n1c(SCC(=O)NN=Cc2c(O)ccc3ccccc23)nc2ccccc2c1=O 254874377 XXQKLOAOFHBEKK-UHFFFAOYSA-N 494.576 4.795 50 10 JJGE Cc1ccccc1NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 782092142 COHNJCBNTLKGBR-SQVRNEIYSA-N 487.947 4.903 50 10 JJGE O=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1scc2c1NC(=O)C2(c1ccccc1)c1ccccc1 888105385 VXGXUSIPKUQXFM-UHFFFAOYSA-N 482.521 4.707 50 10 JJGE O=C(NN=C(CSc1nc2ccccc2o1)c1ccc(Br)cc1)c1cccnc1 1083924604 IQAUHZGSQYTKFV-UHFFFAOYSA-N 467.348 4.912 50 10 JJGE COc1c(C(=O)NN=Cc2cc(Br)cc(Br)c2O)ccc2ccccc12 1083965879 SAGOHMSUIBHQQV-UHFFFAOYSA-N 478.140 4.843 50 10 JJGE Cc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1C 1084486519 KRMQIALHNAVYHD-UHFFFAOYSA-N 456.468 4.819 50 10 JJGE Nc1cc(C(F)(F)F)ccc1[C@H]1CN(Cc2ccccc2)C[C@@H]1CI 1614640011 DLBYSYGCLSMGRW-YOEHRIQHSA-N 460.281 4.938 50 10 JJGE Cc1c(C(=O)Oc2cccnc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772745677 HIWQBQLIIHDMKN-UHFFFAOYSA-N 458.301 4.979 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)cc1O 1865681783 WWPOUPYJHNSRDJ-LJQANCHMSA-N 464.403 4.674 50 10 JJGE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704690 CBNPGZBQDCHEME-RUZDIDTESA-N 480.499 4.816 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865708720 DSTAUAJRJUNWQV-DEOSSOPVSA-N 492.535 4.832 50 10 JJGE Cc1ccccc1COc1ccc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1 1873792437 CVLMVPWEJNMKOO-RWPZCVJISA-N 456.498 4.518 50 10 JJGE O=C(N[C@@H](CSCC1CC(Br)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1883577363 PCGBNASGCKLYOX-XFMWISLNSA-N 490.419 4.885 50 10 JJGE CC1(C)C[C@H](Br)CN(C(=O)c2cccc(Br)c2Br)C1 1923160932 JQTRXWHMBQTPEJ-VIFPVBQESA-N 454.000 4.847 50 10 JJGE O=S(=O)(C1CC(OCc2ccccc2)C1)N(Cc1ccccc1)C1(CBr)CCC1 1958928989 YHKVVRJNNVTJQM-UHFFFAOYSA-N 478.452 4.884 50 10 JJGE O=C(NC[C@]1(F)C[C@H](CBr)C1)c1scc(Br)c1Br 2049524603 UJERWWJAYVAZIT-MHWOZMEASA-N 463.992 4.516 50 10 JJGE O=C(c1c(Br)cccc1Br)N1[C@H](CBr)C[C@@H]2CCC[C@H]21 2164664957 UGQSFTFCAKDYJH-OUJBWJOFSA-N 466.011 4.990 50 10 JJGE BrC[C@@H]1C[C@@H]2OCCN(Cc3c(Br)cccc3Br)[C@@H]2C1 2199764307 CISCPKRAJSFVQQ-VQISRLSMSA-N 468.027 4.586 50 10 JJGE Cc1cc(Br)c(C)c([C@H](Br)C2[C@@H]3CS(=O)(=O)C[C@@H]23)c1Br 2201079331 RTALCXQFTPYDAA-NUPCCRGMSA-N 487.051 4.555 50 10 JJGE O=C(c1scc(Br)c1Br)N1[C@H]2CC[C@H](Br)[C@H]1CC2 2222299131 CVQXVARRQMCQAN-ACLDMZEESA-N 458.013 4.804 50 10 JJGE Cc1ccc(C(=O)N2CCC[C@H](CCBr)CC2)cc1I 2232839383 UNFOMJQNAKJFAK-CYBMUJFWSA-N 450.158 4.627 50 10 JJGE Cc1ccc(I)c(C(=O)N[C@]2(CBr)CCC[C@@H](C)C2)c1 2240912263 HLMSYWAZGPBKHH-MLGOLLRUSA-N 450.158 4.673 50 10 JJGE CC1(C)[C@H](CBr)CCN1C(=O)c1ccc(Cl)c(I)c1 2268346820 PUDABHCZOZGZRW-JTQLQIEISA-N 456.549 4.580 50 10 JJGE O=C(N[C@H](CBr)[C@H]1CC=CCC1)c1ccc(Cl)c(I)c1 2283665475 VXUDUSHEWMFOHO-IINYFYTJSA-N 468.560 4.794 50 10 JJGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCC(=O)OC 2313571108 NNZXEMMIFXUICP-UHFFFAOYSA-N 475.328 4.828 50 10 JJGE COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(C)=C(C#N)C2=O)cc1 2314620773 UUGAUGMHRMTMPT-UHFFFAOYSA-N 483.480 4.698 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H](C)S(C)(=O)=O 2317428024 CHLKQUXIBUVBHC-HZGVNTEJSA-N 466.992 4.528 50 10 JJGE Brc1cc(CN2C[C@H]3CC[C@H]2[C@@H](Br)C3)ccc1I 2325460827 UHYCRNFJIOKJMH-JKOKRWQUSA-N 485.001 4.802 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1C[C@H]2[C@@H](Br)CCC[C@H]2C1 2365593503 ULYLLZDGLKCTGP-BIMULSAOSA-N 468.560 4.580 50 10 JJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccccc3)C(=O)N2c2ccccc2)cc1 33376312 NXZRHGSSGNCXCI-BSSRNLCFSA-N 497.576 4.928 50 10 JJGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c1 39858766 MFSSPDJLUBKLFD-JXAWBTAJSA-N 454.461 4.788 50 10 JJGE O=C(NNc1ncnc(Nc2cccc3cccnc23)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40626353 NIGXWHRAYJDPFF-UHFFFAOYSA-N 470.276 4.740 50 10 JJGE CCCCCOc1ccc(/C=N/NC(=O)COc2ccc(C)cc2Br)cc1OC 40910984 HOVLIDSQDKSLLH-ZVHZXABRSA-N 463.372 4.864 50 10 JJGE COc1cc(Br)c(OC[C@H](Br)C(F)(F)F)cc1Br 118642166 LUAPAWMPYUVLKX-VIFPVBQESA-N 456.878 4.925 50 10 JJGE CN(C)NCC(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1 204833322 AEYAISPYTAVRPR-UHFFFAOYSA-N 456.510 4.645 50 10 JJGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 214248868 QZNJDZQJJXHQQI-SMNNTEATSA-N 478.552 4.863 50 10 JJGE Cc1cccc(C(=O)N(CCBr)Cc2ccccc2)c1I 235901201 WXNILAUQWFSMOB-UHFFFAOYSA-N 458.137 4.637 50 10 JJGE CCCC(=O)[C@@H](Br)Cc1ccc(Br)c(I)c1 300909752 QFNVBHLGOYHAFX-JTQLQIEISA-N 459.947 4.729 50 10 JJGE CC(C)(C)C(=O)[C@@H](Br)Cc1cc(I)ccc1Br 304212638 VQWLEKGJUAGWBN-NSHDSACASA-N 473.974 4.975 50 10 JJGE O=[N+]([O-])c1cc(Br)c(OC[C@H](CBr)C2CC2)c(Br)c1 701852590 AMWBLIRNOWHSOZ-QMMMGPOBSA-N 457.944 4.920 50 10 JJGE CC[C@@H](C[C@H](C)Br)NC(=O)c1cc(I)ccc1Br 716940981 RVPKXGQZHQXZGO-WPRPVWTQSA-N 488.989 4.736 50 10 JJGE O=C(NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc(-c2cccc(Cl)c2)no1 728220471 WHMCQNSCZXEKOW-UHFFFAOYSA-N 468.922 4.553 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)n1-c1ccc(F)cc1 786604902 BSRDHIRTJLQUCX-XDHOZWIPSA-N 487.447 4.842 50 10 JJGE C=CCN(c1ccc(C(=O)NN=C(C)c2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1 1084010432 MSGZXEDMHNIMFT-UHFFFAOYSA-N 467.978 4.875 50 10 JJGE COC(=O)COc1ccc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 1084175056 MFUURXSTTQKYAG-UHFFFAOYSA-N 468.962 4.948 50 10 JJGE C=C(Cl)CSc1nc(C)c(CC(=O)NNc2ccc(F)cc2Br)s1 1636749740 CKIMTPAEHQWYCG-UHFFFAOYSA-N 450.786 4.884 50 10 JJGE CCOc1ccccc1NC(=O)[C@@H](C)Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F 1858687994 SRAGLLXHZJDFOO-CQSZACIVSA-N 484.440 4.545 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)ccc1O 1865680894 ZIHPSADDXULWKO-FQEVSTJZSA-N 457.317 4.810 50 10 JJGE CC[C@@](C)(NC(=O)c1cc(C2CC2)n2nc(C3CC3)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867177459 KGXDLIPWHPDDCZ-RUZDIDTESA-N 474.590 4.594 50 10 JJGE Brc1ccc(I)cc1CO[C@H]1CCC[C@@H]1Br 1902312186 CDXDRSJHFKWLRB-RYUDHWBXSA-N 459.947 4.886 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CCC[C@](F)(CBr)C1 2039795603 XDEJBUXXUBSPTC-NSHDSACASA-N 463.992 4.612 50 10 JJGE C[C@H](Br)[C@@H](NC(=O)c1csc(Br)c1Br)C(F)(F)F 2074715215 DSGQLCGOZQIMHI-BBIVZNJYSA-N 473.934 4.717 50 10 JJGE COc1cc(C[C@@H](Br)c2cccc(Br)c2Br)ncn1 2092335881 RTDZVMFBBXQRLI-LLVKDONJSA-N 450.956 4.689 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NC[C@H](CBr)C2CCC2)C1(C)C 2106787945 LOWIAEBGJPCDOU-YPUXHCPYSA-N 451.471 4.589 50 10 JJGE CC(C)C[C@@H](CBr)CNC(=O)c1c(Br)cccc1Br 2120737607 NBNBRGMTBIDVAT-JTQLQIEISA-N 456.016 4.999 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@@H]2CCC[C@]2(CBr)C1 2159405107 NLIFMGFBGLJPFE-BONVTDFDSA-N 466.011 4.849 50 10 JJGE CN(CC[C@H](Br)c1ccccc1)S(=O)(=O)C1CC(OCc2ccccc2)C1 2168117197 PVVRYSUEKMHLAR-CBNMVNINSA-N 452.414 4.522 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H](Cl)CC12CCC2 2169893543 CZETVRMKKORSMX-LLVKDONJSA-N 468.560 4.820 50 10 JJGE CN(C(=O)c1cc(Br)ccc1Br)[C@H](CCBr)C(F)(F)F 2178514988 IAPAKFICJFABMB-SNVBAGLBSA-N 481.932 5.000 50 10 JJGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@H]1C 2179816894 UUSQGPLTFWCMHF-HRCADAONSA-N 471.486 4.623 50 10 JJGE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCCSSCCNC(=O)OC(C)(C)C 2247948856 CTQBQEXGQFLVGA-ZWKOTPCHSA-N 477.737 4.764 50 10 JJGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2293038592 NJAZWWPWSIPJOG-QHCPKHFHSA-N 457.555 4.639 50 10 JJGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2294005003 HTBHJEGADPBLSN-UHFFFAOYSA-N 453.454 4.690 50 10 JJGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@@H]2CCCO2)cc1 2296540317 RISVCXXVZYKIQE-SANMLTNESA-N 470.573 4.920 50 10 JJGE O=C(CSCc1ccc(Br)cc1)NN=Cc1ccc(OCC=CCl)cc1 2297499767 KKSYFNBPSXRBQB-UHFFFAOYSA-N 453.789 4.964 50 10 JJGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OC[C@@H]1C[C@H]2CCC[C@H]1CC2 2301131587 NTJHZLZYUJUNAQ-IUVQAAGXSA-N 451.389 4.938 50 10 JJGE CCOc1c(I)cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc1OC 2313518071 DMIJFCZIJTYHPG-UHFFFAOYSA-N 476.314 4.861 50 10 JJGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(OC)cc3)ccc21 2314634109 MXEISNZIGQAXSN-HHHXNRCGSA-N 468.509 4.931 50 10 JJGE CCCc1ccc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccccc3)cc2OC)cc1 2314737169 PTARDDFRUJHVJQ-UHFFFAOYSA-N 484.552 4.855 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2c(C)cc(Br)cc2C)cc1 2314785092 FTXCMNGVHBUHCL-UHFFFAOYSA-N 485.378 4.874 50 10 JJGE O=C(CCc1nc2ccccc2[nH]c1=O)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2321687252 PTRDYYHIDFZKOT-UHFFFAOYSA-N 495.366 4.892 50 10 JJGE O=C(NN=Cc1ccc(C(F)(F)F)cc1)c1ccc(Nc2nc(O)c3ccccc3n2)cc1 2323766284 WEWGAYJLUXMVMO-UHFFFAOYSA-N 451.408 4.862 50 10 JJGE CCc1ccc(-c2csc(C(C#N)=C(O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 2331245853 BCBYXUNDYWPGPR-UHFFFAOYSA-N 474.498 4.760 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 2331273762 RINWAGGQHBNOPG-OAQYLSRUSA-N 459.527 4.932 50 10 JJGE CCN(C[C@@](C)(CI)O[C@@H]1CCOc2ccccc21)C(=O)OC(C)(C)C 2340299397 PFVXXSWHEVJIBI-YLJYHZDGSA-N 475.367 4.978 50 10 JJGE CCCOc1ccc(C(=O)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1Br 14647406 SMLSMDNMPMOLGY-UHFFFAOYSA-N 483.362 4.892 50 10 JJGE Cc1ccc2c(O)nc(/C(C#N)=C\c3cc([N+](=O)[O-])ccc3OCC(=O)Nc3ccccc3)nc2c1 35519586 GIIFDCAOAHHYPZ-PDGQHHTCSA-N 481.468 4.634 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)ccc2OC)cc1 38659826 TYONKQUSGHHOBS-AREMUKBSSA-N 486.524 4.930 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)cc(Cl)c1OCc1ccccc1[N+](=O)[O-] 96930659 PNGJYHZJNKODQM-MFOYZWKCSA-N 467.865 4.652 50 10 JJGE CCOC(=O)c1cc(CCC(C)C)n(-c2ccc(C(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)n1 97940682 WHVJKXNXDJLPJH-UHFFFAOYSA-N 451.479 4.765 50 10 JJGE Cc1nn(C)c(C[C@@H](CBr)c2ccccc2Br)c1Br 118665014 ZGQSEKYNXKCXMR-JTQLQIEISA-N 451.000 4.975 50 10 JJGE O=S(=O)(NCC1(CBr)CCCCC1)c1ccc(Br)cc1Cl 131510755 HWTUWWORQGAGDU-UHFFFAOYSA-N 459.631 4.726 50 10 JJGE O=C=NC[C@@H]1CCC[C@H](CNC(=O)NCCc2c[nH]c3cc(OCc4ccccc4)ccc23)C1 170288883 UFCXQRKHXXAHFG-YADHBBJMSA-N 460.578 4.731 50 10 JJGE Cc1ccc(OCCCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)c(C)c1 206741002 ANTRNPBMAKNYBP-JWGURIENSA-N 458.514 4.884 50 10 JJGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(C(C)(C)C)cc2)c(OC)c1 207139706 GOCUEDVXXWABCI-HKWRFOASSA-N 464.562 4.800 50 10 JJGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)NN=Cc1ccccc1Cl 252609880 HWXWUSMZXYDRMS-UHFFFAOYSA-N 476.993 4.775 50 10 JJGE BrCc1cc(Br)ccc1N1CC[C@@]2(CN(Cc3ccccc3)CCO2)C1 717589728 BBEYEIOTGJQRSM-OAQYLSRUSA-N 480.244 4.825 50 10 JJGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3cnn(C)c3Br)c2O1 720052640 NRSYROIATFYRNH-MADCSZMMSA-N 464.983 4.753 50 10 JJGE CC(=O)Nc1cccc2c1CCN(C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C2 918675273 CEVJIYGFBSWGQJ-STZFKDTASA-N 498.974 4.567 50 10 JJGE Cc1ccc(OCC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1Cl 1084243218 BWENWLHEUFIULU-UHFFFAOYSA-N 468.340 4.748 50 10 JJGE COc1cc(C=NNC(=O)c2ccccc2Br)ccc1OCc1ccc(C#N)cc1 1084338832 JZQWDJUXPWPGSN-UHFFFAOYSA-N 464.319 4.672 50 10 JJGE CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1C 1087428349 CCBBBYUCVAUSCS-ZHZULCJRSA-N 459.516 4.575 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1OCC 1865688980 GOVVGZFCXOYGJK-JOCHJYFZSA-N 495.377 4.959 50 10 JJGE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2F)c1 1865701907 HVXYPSXNJUOLDE-OAQYLSRUSA-N 467.342 4.976 50 10 JJGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865715144 XCCKKCSKYKVPFJ-HSZRJFAPSA-N 467.485 4.810 50 10 JJGE CCC[C@H](NC(=O)C[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866732893 ZCXXMQIBTGMHPR-VXKWHMMOSA-N 479.602 4.838 50 10 JJGE COc1ccc(CCC[C@@H](Br)CN2C(=O)c3ccccc3C2=O)c(Br)c1 1901209486 SAJMOUDMLRNARB-CQSZACIVSA-N 481.184 4.840 50 10 JJGE O=S(=O)(c1ccccc1Br)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915169917 MHYPAAMMMQNMFP-QGZVFWFLSA-N 473.230 4.814 50 10 JJGE C=CCN1C(c2ccccc2)=CSC1=C(C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 2042434494 WFPSOLYANZNWNI-UHFFFAOYSA-N 468.586 4.529 50 10 JJGE N#CC(=Cc1cc([N+](=O)[O-])ccc1Cl)c1nc(CCN2C(=O)c3ccccc3C2=O)cs1 2053539346 HDXVSVIKIUIEJJ-UHFFFAOYSA-N 464.890 4.608 50 10 JJGE O=C(NC[C@@H](Br)CC(F)(F)F)c1scc(Br)c1Br 2055499349 FRWHQZKZJDTMEV-BYPYZUCNSA-N 473.934 4.719 50 10 JJGE O=S(=O)(c1ccc(CBr)cc1F)N(CCC(F)(F)F)Cc1ccccc1 2123199495 SVWWPFVYFYPZJH-UHFFFAOYSA-N 454.283 4.864 50 10 JJGE CC1(C)[C@H](Cl)CC[C@H]1NC(=O)c1cc(Br)ccc1I 2142127858 XFEODNKPSWEFGX-VXGBXAGGSA-N 456.549 4.580 50 10 JJGE CC1(C)[C@@H](NC(=O)c2cc(Br)cc(Br)c2)CC[C@H]1Br 2142137131 QCRIHULVTQHTJF-NEPJUHHUSA-N 454.000 4.894 50 10 JJGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@@H]1C[C@H](Br)C2 2142281898 WITPOUBRTYOZLU-JGPRNRPPSA-N 498.984 4.584 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 2150960418 DSQFHWOWANWSAI-GARJFASQSA-N 466.011 4.847 50 10 JJGE C[C@H](Cl)C12CCC(CC1)N2C(=O)c1cc(I)ccc1Br 2153390477 BRWNKQHNAMLOIK-IEBVAXJPSA-N 468.560 4.818 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2164656992 SIHUUGUANRHXKT-HERUPUMHSA-N 466.011 4.990 50 10 JJGE O=C(c1cc(Br)c(Cl)s1)N1CC[C@@](CBr)(C(F)(F)F)C1 2172569320 LRJSOXXQSUGRBD-JTQLQIEISA-N 455.521 4.954 50 10 JJGE Cc1cc(S(=O)(=O)N2CCCC[C@H](N(C)Cc3ccccc3)C2)sc1CBr 2179809215 QZZHKZFKBHJJIQ-SFHVURJKSA-N 471.486 4.627 50 10 JJGE COc1cc(F)c([C@H](Br)c2c(C)nn(C)c2Br)cc1Br 2202901777 HLTGWXFLWBHTJK-LBPRGKRZSA-N 470.962 4.886 50 10 JJGE CCN(C(=O)c1ccc(I)c(Cl)c1)[C@@H]1CCC[C@H]1Br 2224423213 VAHOWWZAYACWLV-ZWNOBZJWSA-N 456.549 4.723 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@@H](Br)CCC12CC2 2227509392 RPUIWBXISARFNN-VIFPVBQESA-N 451.984 4.744 50 10 JJGE BrC[C@]12CCCC[C@@H]1CN(c1ncc(Br)cc1Br)C2 2230598903 CSYNNSLYPDWMDJ-YGRLFVJLSA-N 453.016 4.998 50 10 JJGE C[C@@H](Br)CN(C(=O)Cc1cc(Br)cc(Br)c1)C1CC1 2277935841 IWXPNJUOXKAEJO-SECBINFHSA-N 454.000 4.529 50 10 JJGE O=C(c1scc(Br)c1Cl)N1C[C@H](CBr)[C@@H](C(F)(F)F)C1 2279183644 MQCLFQCJXJAIMM-WDSKDSINSA-N 455.521 4.809 50 10 JJGE CC[C@H](Br)[C@@H]1CCCCN1C(=O)c1c(F)cccc1I 2282782906 DYRVAMDOOJSKCC-GWCFXTLKSA-N 454.121 4.599 50 10 JJGE C[C@H](NC(=O)C(C#N)=C1N=C(NC(=O)c2ccc(Cl)cc2)c2ccccc21)c1ccccc1 2296532687 GORSOGQLXBOOOA-INIZCTEOSA-N 454.917 4.642 50 10 JJGE CCOc1cc(C=C(C#N)c2nn(CCO)c(N)c2C#N)ccc1OCc1ccc(Cl)cc1Cl 2297550663 MLWBFODGNRXQRD-UHFFFAOYSA-N 498.370 4.678 50 10 JJGE Cc1ccc(Br)cc1C(=O)N[C@@H](CCBr)COCc1ccccc1 2303544494 DSVQKNYDHKZAIK-KRWDZBQOSA-N 455.190 4.858 50 10 JJGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(Br)ccc1F 2303547295 RVAWENMMTAAANU-HNNXBMFYSA-N 459.153 4.688 50 10 JJGE C[C@H]1C[C@@H]1N(CCBr)Cc1ccc(I)c(Br)c1 2306227208 KEOGDLHMXFDUGO-ZANVPECISA-N 472.990 4.659 50 10 JJGE CCCN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)CC(C)(C)CI 2306818176 HTAPTUFDSASEGS-MRXNPFEDSA-N 452.421 4.807 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC 2313518632 MGOUDYILLIOOKN-UHFFFAOYSA-N 460.284 4.700 50 10 JJGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593879 VKFIQWBVRUJWBN-QHCPKHFHSA-N 475.545 4.724 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCc2cccc(C(F)(F)F)c2)C1 2327926430 KZUZFERUJZRYEW-KBPBESRZSA-N 471.257 4.645 50 10 JJGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)CNS(=O)(=O)c2ccc(C)cc2)n1 2331376256 PPIMELMAVCVJMK-UHFFFAOYSA-N 469.588 4.515 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(O[C@H](C)CC)c2)cc1 10672425 RGKPBGFOMSZFJS-GOSISDBHSA-N 471.623 4.772 50 10 JJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1 14668253 RCXCNJOWTFLVKJ-MRXNPFEDSA-N 491.426 4.865 50 10 JJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1 38658009 RCGLSODMYUUHGG-VWLOTQADSA-N 454.482 4.697 50 10 JJGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)C(=O)NCCc1ccccc1 39850244 OEZOZLSNJZNMMZ-PXLXIMEGSA-N 462.509 4.534 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(Br)cc2)c1[N+](=O)[O-])c1cccc2ccccc12 40649190 OAJIMKVAUIJACV-UHFFFAOYSA-N 479.294 4.801 50 10 JJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc3cc(Br)ccc3o2)c(OC)c1 41007453 SEHPNAQRFPZZNR-OVCLIPMQSA-N 470.275 4.893 50 10 JJGE Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 59678309 YBMJNKVJWBFAHK-FBCYGCLPSA-N 477.904 4.998 50 10 JJGE O=C(N[C@H]1CCCCC[C@@H]1Cl)c1cc(Br)ccc1I 236049621 MZRDXGWQAQJFST-AAEUAGOBSA-N 456.549 4.724 50 10 JJGE CCOc1c(Br)cc(Br)cc1C=NNC(=O)COc1ccc(Cl)cc1 252626589 RBSCOQJBLLXAQB-UHFFFAOYSA-N 490.579 4.793 50 10 JJGE Fc1ccc([C@@H](Br)c2cc(I)cc3c2OCC3)c(F)c1 312249060 BYAOIKBICKSGFG-CQSZACIVSA-N 451.048 4.989 50 10 JJGE O=C(CBr)c1c(I)ccc(C(F)(F)F)c1Br 575694634 KOEGZQQBXGRZDG-UHFFFAOYSA-N 471.836 4.650 50 10 JJGE CN(C[C@H]1CCC[C@H]1Br)c1ncc(C(F)(F)F)cc1I 686116450 RASGRFGYEAKDGZ-PSASIEDQSA-N 463.079 4.705 50 10 JJGE CC(C)N(C[C@@H](C)Br)C(=O)c1ccc(I)c(Br)c1 721616629 FPLSHMVRKWEGLK-SECBINFHSA-N 488.989 4.688 50 10 JJGE CCCOc1ccc(C=NNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OCC 1084076916 FSSMOSGOKRIMCG-UHFFFAOYSA-N 475.545 4.542 50 10 JJGE O=C(NNC(=O)c1ccc(Br)cc1)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 1322530796 KUABXIKBIQEWGP-KRWDZBQOSA-N 489.370 4.733 50 10 JJGE CCOC(=O)c1c(NC(=O)NN=Cc2ccc(OC)c(Br)c2)sc2c1CC[C@H](C)C2 1772752794 YRFZWOIEXRLFRT-LBPRGKRZSA-N 494.411 4.976 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccc(Cl)c(Cl)c1 1865686062 QLLFDEHKUJAQSW-AWEZNQCLSA-N 452.223 4.811 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc[nH]1 1865710350 WDEONEHGIQARCT-AWEZNQCLSA-N 454.239 4.803 50 10 JJGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cccc(OC)c2)cc1 1865712436 YEYXXBZSVXZKPM-HSZRJFAPSA-N 450.498 4.775 50 10 JJGE CSCC[C@@H](NC(=O)CCc1csc(-c2ccccn2)n1)C(=O)Nc1ccc(SC#N)cc1 1867057167 LXWZIFMHZYGWRA-LJQANCHMSA-N 497.671 4.587 50 10 JJGE COc1cc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OCc1ccccc1Cl 1873793102 WVVZWNUCZKVRSR-VATWTLTGSA-N 490.000 4.927 50 10 JJGE O=C(N[C@@H](CCBr)C(F)(F)F)c1ccc(Br)cc1Br 1918551050 IJRQTIQGVOGOAC-VIFPVBQESA-N 467.905 4.657 50 10 JJGE Brc1csc([C@@H]2CC[C@H](CI)O2)c1Br 1930750834 YVKWXTRKJAXOAQ-VDTYLAMSSA-N 451.949 4.928 50 10 JJGE CC(C)(C)[C@@H](CBr)CNC(=O)c1ccc(Br)cc1Br 2090198351 FXLOXZBEEMKPKX-VIFPVBQESA-N 456.016 4.999 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Br)cc(Br)c2)[C@H](C)C[C@@H]1Br 2093110860 FYZVNVZBECIHOM-KKFJDGPESA-N 454.000 4.846 50 10 JJGE CC[C@H](Br)CN(C(=O)c1ccc(Br)cc1Br)C1CC1 2107406679 KCHKAYGCHYMJOV-VIFPVBQESA-N 454.000 4.990 50 10 JJGE O=S(=O)(c1ccc(F)c(CBr)c1F)N(Cc1ccccc1)CC(F)(F)F 2123271542 RWWQPYSXFAHSBF-UHFFFAOYSA-N 458.246 4.613 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CC[C@@H]2C[C@H](Cl)CC[C@@H]21 2143979065 VDPQWJLVERDAEZ-UDZFHETQSA-N 468.560 4.676 50 10 JJGE O=C(c1cc(I)ccc1Br)N1[C@H](CCl)C[C@@H]2CCC[C@@H]21 2164664157 QDTATUMRMWAXQF-CHIMOYNISA-N 468.560 4.676 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2CCC[C@H](C1)C2Cl 2167772716 HZOVVZBKPVBZSN-BVUQATHDSA-N 468.560 4.533 50 10 JJGE Cc1nccc2c1nc(CCl)n2-c1ccc(I)c(Br)c1 2183320679 QSKXBSXJCNQMRM-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2CCC[C@@H](Cl)[C@H]2C1 2207265283 PEPBLNDUBWDXON-TVYUQYBPSA-N 468.560 4.533 50 10 JJGE Cc1ccc(I)c(C(=O)N2CCC[C@@H](C)[C@@H]2CCBr)c1 2240925922 ROCPJLSBVILOCV-DOMZBBRYSA-N 450.158 4.625 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(OC2(C3CCCCC3)COC2)CC1 2272934208 ANGFRISLIWVEJE-UHFFFAOYSA-N 479.399 4.557 50 10 JJGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1)C(=O)NCc1cccnc1 2295631740 REEKURYVGYOZGE-UHFFFAOYSA-N 453.933 4.870 50 10 JJGE C[C@@H](OC(=O)C(C#N)=Cc1ccc(N(C)C)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2297487110 HLNSKEJQGPGVCV-CYBMUJFWSA-N 465.859 4.902 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc([N+](=O)[O-])c2)sc2c1CC[C@H](CC)C2 2314571837 MZTXCUQDOGTJBY-AWEZNQCLSA-N 453.520 4.894 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 2314736920 BNPFTNKDMITDGR-UHFFFAOYSA-N 491.887 4.699 50 10 JJGE FC(F)(F)[C@]1(CBr)CCN(Cc2sccc2I)C1 2316763170 YYEUGLIKNIIFFT-JTQLQIEISA-N 454.093 4.502 50 10 JJGE N#CC(=CNC1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325385006 SGDFTLCETKLUII-UHFFFAOYSA-N 462.903 4.959 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1C 2331259183 WICCYYGHWXDXEJ-UHFFFAOYSA-N 459.527 4.996 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CCC[C@H]1CCCBr 2340061583 PEGLBLXVBKSEAT-LLVKDONJSA-N 456.549 4.724 50 10 JJGE CCOc1cc(C=NNC(=O)COc2cccc(C)c2)ccc1OC(=O)c1ccccc1Cl 3087392 CWCNHYBJPRUOLX-UHFFFAOYSA-N 466.921 4.795 50 10 JJGE COc1ccc2c(c1)/C(=N\NC(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)N2CC(C)C 38180382 WKESNSXIJGRKSS-HPNDGRJYSA-N 478.376 4.684 50 10 JJGE COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)c1 39858596 UTKJOGZWHIRNNW-SSZFMOIBSA-N 472.888 4.694 50 10 JJGE O=C(CSCc1ccc(Cl)cc1)N/N=C1/C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 59167452 ORIFVJPSBHDAFH-SLEBQGDGSA-N 494.960 4.549 50 10 JJGE C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)Cc1c(OC)ccc3cc(Br)ccc13)C2 100938771 BVNYHXYKQRWKMI-UPCLLVRISA-N 471.395 4.683 50 10 JJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccco2)cc1 102859413 IEZKZRPJOCMDQS-PGMHBOJBSA-N 450.498 4.920 50 10 JJGE CCCOc1ccc(/C=N\NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cc1Cl 169920615 NLJRNTLRECOHSC-WGARJPEWSA-N 458.345 4.756 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCc1ccc(Br)cc1 231319334 MMLRJMQSWMKLMI-INIZCTEOSA-N 484.172 4.684 50 10 JJGE Nc1ccc(Br)cc1[C@@H]1CN(Cc2ccccc2)C[C@@H]1CI 382701187 CQNCTFICFWFNPS-WMLDXEAASA-N 471.180 4.682 50 10 JJGE BrCC(CBr)(CCO[C@H]1CCOC1)c1ccc(Br)cc1 724985074 KKVFOXOKCJZCRT-AWEZNQCLSA-N 471.027 4.672 50 10 JJGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1C 727412224 CEOVZAHPFPCVMM-AXVOBAMPSA-N 495.023 4.847 50 10 JJGE Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 1084392012 IKPCIYCJYOKFEL-UHFFFAOYSA-N 457.921 4.850 50 10 JJGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2ccccc2)cc1)c1cccc(Cl)c1Cl 1084539382 FWFHVJVBRPSGHV-UHFFFAOYSA-N 476.385 4.724 50 10 JJGE C#C[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C)C1CCOCC1 1131258261 WSXCTFRVTAVDJG-CEMPLAKHSA-N 455.480 4.565 50 10 JJGE C#Cc1cccc(NC(=S)NNC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)c1 1558199530 HWUYZVPBGMUZNN-UHFFFAOYSA-N 457.342 4.793 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2ccc(Cl)cc2[N+](=O)[O-])C1 1614629476 JWWGMACKMAOXCQ-RHSMWYFYSA-N 453.720 4.995 50 10 JJGE Cn1cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Cl)c(Cl)c1 1865699584 XKZAFNGJLXSLNB-AWEZNQCLSA-N 454.239 4.755 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@@H](CBr)C2(CCC2)C1 1914493874 SJEMBOMDALKGJT-MRVPVSSYSA-N 472.040 4.910 50 10 JJGE O=C(c1csc(Br)c1Br)N1CC[C@H](Br)[C@H]1C1CC1 2067016957 OQWDKSVMQHVBEF-WCBMZHEXSA-N 458.013 4.661 50 10 JJGE CCc1nn(C)c(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)c1Br 2072300293 JGAAALFPALMMNP-MRXNPFEDSA-N 471.237 4.807 50 10 JJGE CCCN1CCC[C@H]([C@H](Br)c2cscc2OCc2ccccc2)S1(=O)=O 2100080657 XDEIQJXCCIYAJA-RTBURBONSA-N 458.443 4.967 50 10 JJGE CN([C@@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(CCl)ccc1Br 2100208771 XMTGFXCJKMNCKY-QZTJIDSGSA-N 458.805 4.556 50 10 JJGE O=S1(=O)C[C@@H]2CCC[C@]2([C@@H](Br)c2cc(Br)c(Br)s2)C1 2137224493 BMKBYJGOAQCXAJ-JWYUURKGSA-N 493.080 4.924 50 10 JJGE CO[C@@H]1CCC[C@@H]([C@@H](Br)c2cc(I)cc3c2OCC3)C1 2182759704 BLNJCZIGOXUEFI-WDBKCZKBSA-N 451.142 4.867 50 10 JJGE CC[C@H]1CN(c2ncc(C(F)(F)F)cc2I)C[C@H]1CBr 2205684408 RNYNYXZXGZMAPM-DTWKUNHWSA-N 463.079 4.562 50 10 JJGE CCN(C(=O)c1cccc(Br)c1Br)[C@@H]1CCC[C@@H]1Br 2224419626 PQLAKDHMBNYDDI-CMPLNLGQSA-N 454.000 4.990 50 10 JJGE CC(C)(CI)CN1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 2306817929 FIWBHXPNCMXCQO-CVEARBPZSA-N 450.405 4.702 50 10 JJGE C[C@H]1Cc2ccccc2N1C=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324608412 SLEYNDKABXTLMF-QHCPKHFHSA-N 462.597 4.779 50 10 JJGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3cccc(OC)c3OCc3ccccc3)nc2c1 2331046410 RXDKISYLBCXENV-UHFFFAOYSA-N 467.481 4.774 50 10 JJGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c(C)c1 2331394523 QAEVRFQNTISOJO-UHFFFAOYSA-N 474.498 4.732 50 10 JJGE Cl[C@@H]1CCC[C@@H]2CN(Cc3ccc(I)c(Br)c3)C[C@H]21 2349855827 REIOTLLUVFSUTN-YRGRVCCFSA-N 454.577 4.893 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@H]2C[C@H](Br)CC[C@H]21 2353891957 QGKWYVJYMODHIT-IMSIIYSGSA-N 466.011 4.990 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1C[C@H](Br)C2(CCCC2)C1 2365584151 LIBCMKZOFHPEHH-ZDUSSCGKSA-N 468.560 4.724 50 10 JJGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 14030149 MYFAIIQDROOQDM-UHFFFAOYSA-N 498.432 4.667 50 10 JJGE CCCOc1ccc(C(=O)NNC(=O)c2ccccc2OCc2ccccc2)cc1Br 14647408 FLKJWYPYAHCCDR-UHFFFAOYSA-N 483.362 4.892 50 10 JJGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C)cc3C)nc3ccccn3c2=O)cc1 33478182 FMAXGIFEGWPNJH-CYVLTUHYSA-N 466.497 4.658 50 10 JJGE CCOc1ccccc1C(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OC 40869960 VOTUHWNTSRKIPS-RCCKNPSSSA-N 456.498 4.536 50 10 JJGE O=C(NCC1(CBr)CCCC1)c1cc(Br)ccc1Br 161229721 DIZMNNHQNGCLTQ-UHFFFAOYSA-N 454.000 4.897 50 10 JJGE C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC[C@@H]1Br 167882228 PWAJXZMLJNXLAY-APPZFPTMSA-N 466.022 4.550 50 10 JJGE CC[C@H](Br)c1nnc(-c2cc(Br)ccc2I)o1 233988755 ZDMPNIZNNAVPLL-QMMMGPOBSA-N 471.918 4.950 50 10 JJGE C[C@H](CCl)COc1c(I)cc(Cl)cc1I 308942952 FIDIIGJVXASBKA-ZCFIWIBFSA-N 470.903 4.803 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2cc(O)ccc2Br)C1 394761809 WYXZWVHNLOTXOU-ZWNOBZJWSA-N 482.156 4.540 50 10 JJGE Cn1cc(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)c(-c2ccccc2Cl)n1 731165461 VRULYZIROOMYFW-UHFFFAOYSA-N 478.911 4.533 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)c(C)n1CC(C)C 855283725 DRCPSURWCPAEIS-FYYJVHHASA-N 462.594 4.839 50 10 JJGE CCS(=O)(=O)c1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C 914738364 AAEKQIWVOPGVAQ-XMHGGMMESA-N 451.523 4.573 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)NN=C2C(=O)N(C/C=C\c3ccccc3)c3ccccc32)cc1 1084437037 LVXNGFXZFCMVTP-BYRWMUTCSA-N 467.569 4.943 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc([N+](=O)[O-])cc1 1084594373 ICGMIJLAMIOHLZ-STZFKDTASA-N 453.502 4.750 50 10 JJGE Cc1nc2ccccc2n1CC(=O)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 1084629518 JNHNZIFPLWUIDQ-UHFFFAOYSA-N 473.536 4.565 50 10 JJGE CC(=O)N1C[C@H](CI)[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 1614615666 MUJYIAZPHJXLGB-GWCFXTLKSA-N 465.175 4.721 50 10 JJGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682390 NNJRZRZLMOKIQO-DEOSSOPVSA-N 480.524 4.789 50 10 JJGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCC)c(OC)c1 1865695075 JEWCCJXEGHJYQR-QFIPXVFZSA-N 460.534 4.594 50 10 JJGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865699453 UNHGDDJWRFTIMM-XMMPIXPASA-N 465.557 4.781 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1ccncc1 1865700418 SMWGQAATWIBOEK-FQEVSTJZSA-N 470.330 4.915 50 10 JJGE CN(Cc1ccc(I)c(Br)c1)C(C)(C)CBr 1904346226 OSPRWYBSOMJLOM-UHFFFAOYSA-N 460.979 4.659 50 10 JJGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1csc(I)c1 1914213260 ZAICBTIKIROSFG-LLVKDONJSA-N 464.166 4.779 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 2013362162 ABRMTKKBCMDKHD-VGSWGCGISA-N 475.721 4.662 50 10 JJGE CC1CC(CBr)(N(C)C(=O)c2cc(Br)c(Br)s2)C1 2046093435 OFKQXNIQYXEGTL-UHFFFAOYSA-N 460.029 4.909 50 10 JJGE CCC[C@H](Br)c1cn(-c2cc(I)ccc2Br)nn1 2057426759 IWXJCSKIOFGSBL-VIFPVBQESA-N 484.961 4.871 50 10 JJGE CCCN1CC[C@H]([C@@H](Br)c2csc(Br)c2Br)S1(=O)=O 2093944089 DMVRYECETPWGTI-BDAKNGLRSA-N 496.084 4.523 50 10 JJGE Cn1ncc(COc2c(F)cc(Br)cc2CBr)c1Br 2116618779 AXHGIIQDONHGHE-UHFFFAOYSA-N 456.935 4.558 50 10 JJGE CN([C@@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(Br)cc(CCl)c1F 2156442199 LYVROJGLXCMQQV-IAGOWNOFSA-N 476.795 4.695 50 10 JJGE O=S(=O)(c1cc(CCl)ccc1Br)N1CC2(CC(OCc3ccccc3)C2)C1 2165078352 QKBBXQBHIQNQAU-UHFFFAOYSA-N 470.816 4.558 50 10 JJGE COc1cc(F)c(Br)cc1[C@@H](Br)c1nn(C)c(Br)c1C 2168215122 HLDUPDFEVRFVOO-LLVKDONJSA-N 470.962 4.886 50 10 JJGE Cc1cc(Br)sc1CN(C)S(=O)(=O)c1csc(CBr)c1 2179820140 UWLSORJJWDKAOA-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCCS2(=O)=O)c(C)c1Br 2227360665 VFAKRMBQPWQISC-MFKMUULPSA-N 475.040 4.842 50 10 JJGE C[C@@]1(CBr)CCCN1C(=O)Cc1cc(Br)cc(Br)c1 2277934151 DTCDIJIGNUCJON-AWEZNQCLSA-N 454.000 4.530 50 10 JJGE O=C(CSc1nnc(SCc2ccccc2)s1)NN=CC=Cc1ccccc1[N+](=O)[O-] 2293462031 AHHUWLPSBWROLM-UHFFFAOYSA-N 471.589 4.646 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@@H](Br)[C@@H]1C1CC1 2295311067 FXKYQDYPMMIWQZ-HIFRSBDPSA-N 466.011 4.529 50 10 JJGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)cc(I)c2O)cc1 2296376860 NKNNSIMWGABDAV-UHFFFAOYSA-N 483.103 4.613 50 10 JJGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C(C)=C(C#N)C1=O 2314616748 IXBOJQAMVHKQGI-UHFFFAOYSA-N 454.917 4.971 50 10 JJGE COc1ccc(Cl)c(CC(=O)NN=Cc2ccc(OCc3ccc(C)cc3)c(OC)c2)c1 2323675634 FFARWTXZSZVAGO-UHFFFAOYSA-N 452.938 4.937 50 10 JJGE Clc1ccc(CN2C[C@@H]3CC[C@H](Br)C[C@H]3C2)c(I)c1 2341027001 GKWDEOXDVCJYHD-DRZSPHRISA-N 454.577 4.940 50 10 JJGE CC(C)(C)N1C[C@H](Cc2cc(I)ccc2Cl)[C@@H](Br)C1 2352416653 XRXHLMOBKIQPSY-AAEUAGOBSA-N 456.593 4.981 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N(CCCBr)C1CCOCC1 2381012295 OXVSOLAWHBJPRM-UHFFFAOYSA-N 490.055 4.679 50 10 JJGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 12403518 CTXJRQXEJSKIDI-UHFFFAOYSA-N 491.426 4.784 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)cc1OC 38659663 SXRHRPPVNWJBLY-AREMUKBSSA-N 486.524 4.930 50 10 JJGE CC(C)c1ccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2N)cc1 40706248 DSNPPMJELDPVQF-UHFFFAOYSA-N 461.353 4.755 50 10 JJGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812223 CXYSFPPARSTJTH-NHFJDJAPSA-N 472.501 4.560 50 10 JJGE O=C(N/N=C(/CSc1nc2ccccc2[nH]1)c1cccc(Br)c1)c1cccnc1 59460761 BEMWYWNECIQPTE-XHPQRKPJSA-N 466.364 4.647 50 10 JJGE C/C(=N/NC(=O)CSC1CN(C(c2ccccc2)c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 83259221 KFTOZXUMBYDPOF-DIBXZPPDSA-N 474.586 4.642 50 10 JJGE CCOc1cc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc(Br)c1O 169890226 NKZCVTBEKUTECT-MSXFZWOLSA-N 456.340 4.677 50 10 JJGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2OC)cc1 206434059 MXFXPSHEROCZGB-WAQMNQRUSA-N 462.546 4.924 50 10 JJGE CCOc1ccc(C)cc1[C@H](C)NC(=O)/C(C#N)=C\Nc1ccc(I)cc1 217186762 SUNGJMGCOXNZIF-WSTOHFRZSA-N 475.330 4.695 50 10 JJGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cccc3ccccc23)c(OC)c1 252624398 PNHJPOXCRFCKDT-CZNAKBJMSA-N 479.536 4.778 50 10 JJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)Cc3cccc4ccccc34)cc2OC)cc1 263627865 WNBYXIYIHFEVCP-UHFFFAOYSA-N 468.509 4.769 50 10 JJGE Cc1c(F)cccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382689437 LTFUJVGRTYFLTP-SJLPKXTDSA-N 453.295 4.921 50 10 JJGE Fc1cc2c(cc1I)nc(CCl)n2-c1cnn(Cc2ccccc2)c1 389697404 FKTVXPKVEGUYLH-UHFFFAOYSA-N 466.685 4.753 50 10 JJGE FC1(F)C[C@H]1OCCOc1c(Br)cc(CBr)cc1Br 689070332 KIBWTHLMGDDKEK-SNVBAGLBSA-N 464.926 4.910 50 10 JJGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cn(C)c(Br)n1 698452361 YKRBNZYOQQERNI-GFCCVEGCSA-N 452.972 4.746 50 10 JJGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCC 1084108049 RRAGVSKCOUTJIH-JOCHJYFZSA-N 489.410 4.939 50 10 JJGE CCc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1084499343 IYMNAVPBONOOJL-UHFFFAOYSA-N 465.937 4.579 50 10 JJGE O=C(CCc1ccccc1O)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1084608512 YMUBFJPMHQPMOW-UHFFFAOYSA-N 475.548 4.982 50 10 JJGE CC(=O)c1ccc(C(=O)NNC(=O)c2ccc(COc3ccc(Cl)c(C)c3)cc2)c(F)c1 1540394385 DHXCWTWZLHKIIU-UHFFFAOYSA-N 454.885 4.644 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2cc(Cl)ccc2[N+](=O)[O-])C1 1614617369 VLTFCFRQVWHTLY-PBHICJAKSA-N 453.720 4.995 50 10 JJGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772746076 OVBOSBZNGPBNLB-UHFFFAOYSA-N 479.920 4.751 50 10 JJGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772748968 FTMIIKKMKXYJKX-UHFFFAOYSA-N 451.910 4.729 50 10 JJGE COc1ccc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1[N+](=O)[O-] 1772755107 NMBARHQSPPFQQL-UHFFFAOYSA-N 462.940 4.623 50 10 JJGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2OC(C)C)cc1 1865704788 DXBYDRJPPHFKHT-IBGZPJMESA-N 470.451 4.905 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)ccc1O 1865706525 YMFUJKKYEQAGHQ-QGZVFWFLSA-N 476.842 4.536 50 10 JJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 1865710160 PYATXBKHPFFWEA-GOSISDBHSA-N 456.289 4.868 50 10 JJGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)c1 1865712622 CXARIHBUCAGBRW-GOSISDBHSA-N 469.423 4.693 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)C[C@H]2CCCCO2)cc1 1867257299 SMEKNJUMHZVUMT-IRLDBZIGSA-N 469.632 4.576 50 10 JJGE O=C(NCC[C@@H]1CCC[C@H]1Cl)c1ccc(I)c(Br)c1 1913729593 SLVNRYLELYRAOE-JOYOIKCWSA-N 456.549 4.581 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCC12CCN(C(=O)OC(C)(C)C)CC2 2014116812 OGUKXGVOJBKSRT-KRWDZBQOSA-N 475.721 4.662 50 10 JJGE O=C(NC[C@H]1CCCC[C@@H]1Br)c1csc(Br)c1Br 2032953979 UEYZGRYDLUTIJI-APPZFPTMSA-N 460.029 4.957 50 10 JJGE C[C@H](Cl)c1n[nH]c(=Nc2cc(Br)c(Br)c(Br)c2)o1 2034335686 UTCSNFZZXVGEMU-BYPYZUCNSA-N 460.351 4.822 50 10 JJGE CC1(C)OB(c2ccc3cc(P(=O)(c4ccccc4)c4ccccc4)ccc3c2)OC1(C)C 2080751242 MMJLKBCDTFTSCT-UHFFFAOYSA-N 454.315 4.778 50 10 JJGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCCS2(=O)=O)c1Br 2136368550 XPILQTCALWYHCK-ZWNOBZJWSA-N 475.040 4.842 50 10 JJGE CC(C)C[C@@H](CCl)CNC(=O)c1ccc(Br)cc1I 2142277676 SQNFANRBTLHSTK-JTQLQIEISA-N 458.565 4.685 50 10 JJGE C[C@@H]1Cc2cc([C@@H](Br)c3cn(C)c(Br)n3)cc(Br)c2O1 2146615953 LYPSNPWIPVPJQL-JMCQJSRRSA-N 464.983 4.753 50 10 JJGE FC(F)OC1CC(CO[C@@H](CI)c2ccc(Br)cc2)C1 2238443141 FVYKHWIJCYVCJZ-LDUAJXOISA-N 461.084 4.960 50 10 JJGE CC1CC(CBr)(CN2CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C2)C1 2280056835 LRGODRHDTUBPRG-DIODGJHASA-N 457.375 4.823 50 10 JJGE C[C@@H]1CCCN(C(=O)c2ccc(Cl)c(I)c2)[C@@H]1CCBr 2283670054 RBXHNTXMXPWBIK-QMTHXVAHSA-N 470.576 4.970 50 10 JJGE COc1ccccc1NC(=O)C(C#N)=Cc1ccc(OCC(=O)Nc2ccccc2C)c(OC)c1 2294519826 OFTIZDMFALDOSL-UHFFFAOYSA-N 471.513 4.575 50 10 JJGE COc1cc(C=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(OC)c1OC(C)=O 2296790226 XZONJSNIWOWDBC-UHFFFAOYSA-N 451.460 4.725 50 10 JJGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1cc(Br)sc1Br 2310048856 XGLLPPJYLLJBBI-HMJBSVBGSA-N 458.013 4.565 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1cccc(C)c1 2313670618 LAHIAUXXLHCZJZ-UHFFFAOYSA-N 470.525 4.925 50 10 JJGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)CCCOc2ccc(C)cc2Br)c1 2314770679 QJKPJPONMADYDK-UHFFFAOYSA-N 472.335 4.992 50 10 JJGE CCc1ccccc1CO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2316044386 UYOBEIHRDXKMGU-HXUWFJFHSA-N 459.368 4.970 50 10 JJGE CC(=NNC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C)c1ccc2c(c1)N(C)C(=O)CO2 2321281102 GDZCZHVZZWTVID-UHFFFAOYSA-N 483.355 4.873 50 10 JJGE CCOc1cc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1cccc(Cl)c1 2328794865 ANGRUFGARFSSAO-INIZCTEOSA-N 475.973 4.681 50 10 JJGE CCOc1ccc([C@@H](Br)c2c(Br)ncn2C)c(Br)c1 2337272922 OWJYHSLQIPTNRV-LLVKDONJSA-N 452.972 4.828 50 10 JJGE CN[C@H](c1c(C)cc(Br)c(OC)c1Br)[C@H]1C[C@H](Br)C1 2339682346 RLUKRMJZBMHJCO-RVBZMBCESA-N 456.016 4.963 50 10 JJGE C[C@H]1[C@@H](Br)C[C@@H](C)CN1C(=O)c1ccc(Cl)cc1I 2340060301 ASRAOVGRKJUTHX-PTRXPTGYSA-N 456.549 4.579 50 10 JJGE Fc1ccc(Br)c(F)c1CNCC(F)(F)C(F)(F)CI 2361671098 HPZKBUHILRYSLP-UHFFFAOYSA-N 475.996 4.523 50 10 JJGE O=C(NCC(F)(F)C(F)(F)CI)c1cc(Cl)cc(Br)c1 2361679042 HQLIBWGQCYZITE-UHFFFAOYSA-N 488.444 4.538 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1ccccc1Cl 38650982 RQGFSKKDAZINBT-QHCPKHFHSA-N 450.853 4.682 50 10 JJGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(F)cc2)CCC3)cc1 40811925 YYHPGDLGRDPJMC-ZTKZIYFRSA-N 477.492 4.627 50 10 JJGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NCc5cccnc5)c(C)c43)coc2c1 40826878 UULQPFOYBZFVOB-NJZRLIGZSA-N 484.556 4.675 50 10 JJGE O=[N+]([O-])c1cc(Br)c(OCC2(CBr)CCOCC2)c(Br)c1 96870319 XJQSCZOKFVCINQ-UHFFFAOYSA-N 487.970 4.690 50 10 JJGE Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2 208363691 HFTUOXQDKAXKSE-VJSYINPZSA-N 488.613 4.871 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC(C(F)(F)F)C(F)(F)F)C1 301945437 PEBINWOEFOTAKN-GFCCVEGCSA-N 491.210 4.701 50 10 JJGE COc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1F 382686948 JSDGPXBYXPWBHH-SJORKVTESA-N 469.294 4.622 50 10 JJGE BrCc1cc(I)cc(Br)c1Br 575694231 KPPQYTDNMRWCDS-UHFFFAOYSA-N 454.725 4.711 50 10 JJGE CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cc(Br)cnc3O)c2C)cc1 920351191 ABQQGWOHIXWZJD-LICLKQGHSA-N 481.350 4.902 50 10 JJGE O=C(NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(F)(F)C(F)(F)C(F)(F)F 1083917566 SEHNVMMDLPDRPV-UHFFFAOYSA-N 498.267 4.578 50 10 JJGE O=C(NN=Cc1ccc(-c2ccccc2C(=O)O)o1)c1cc2cc(Br)ccc2o1 1084341000 PJGHRQPSWIUADL-UHFFFAOYSA-N 453.248 4.917 50 10 JJGE C#Cc1cccc(NC(=S)NNC(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)c1 1633773595 MHIRLLRAFVOMTR-UHFFFAOYSA-N 450.567 4.752 50 10 JJGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc(CSC3CCCC3)c2)cc1 1674669140 NRQVWIAQJXDGGE-QGZVFWFLSA-N 455.580 4.685 50 10 JJGE CCc1cccc(CC)c1NC(=O)COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1 1858680888 RORDKKFODITTTD-UHFFFAOYSA-N 464.478 4.743 50 10 JJGE Cc1sc2ncn(CC(=O)N/N=C/c3cccc(Cl)c3Cl)c(=O)c2c1-c1ccccc1 1860772864 JQYQUKWGHVPQHZ-NSKAYECMSA-N 471.369 4.891 50 10 JJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865709762 GIFZGGRFXPYGFK-DEOSSOPVSA-N 480.524 4.783 50 10 JJGE O=C(Nc1ccc(F)c(CBr)c1)c1cccc(F)c1I 1924906973 LTOKHDSXWQURDB-UHFFFAOYSA-N 452.036 4.717 50 10 JJGE COCCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2059314299 JDIIQGDLGHGEJM-UHFFFAOYSA-N 467.212 4.726 50 10 JJGE FC(F)(F)c1c(I)cc(I)cc1CBr 2060239629 BWBLAGXLOXOKRA-UHFFFAOYSA-N 490.826 4.810 50 10 JJGE CS(=O)(=O)C1([C@H](Br)c2ccc(Br)cc2Br)CCC1 2083332667 JQKYIBJRWSGPFP-LLVKDONJSA-N 461.013 4.615 50 10 JJGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CCl)cc1Br 2152215107 OUQCVHKAAFJGBE-UHFFFAOYSA-N 473.864 4.721 50 10 JJGE CC(C)(CBr)[C@@H]1CCCN1C(=O)c1ccc(I)c(Cl)c1 2155824231 LQRBVFPKFPRWQD-ZDUSSCGKSA-N 470.576 4.970 50 10 JJGE O=C(NC[C@@]1(CBr)C[C@H]1C(F)(F)F)c1cc(Br)sc1Br 2192581418 PUCRJQWNGJAALX-LDWIPMOCSA-N 499.972 4.966 50 10 JJGE CN(C[C@H]1C[C@@H]1Br)C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2241637313 LDXNFMNXKIUUJT-VFNWGFHPSA-N 471.395 4.546 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1CCC[C@@H]1CCBr 2295314502 YVKSQQNGBXPLPF-BXUZGUMPSA-N 468.027 4.824 50 10 JJGE COc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592141 MMBSOQGWJHFMEF-QHCPKHFHSA-N 473.529 4.899 50 10 JJGE C[C@@H](NC(=O)C(C#N)=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 2324816608 YTEASGBWMGSAOZ-HSZRJFAPSA-N 450.586 4.678 50 10 JJGE CC(C)N1C[C@@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 2325227244 YIIYLGDPHWDHAJ-DGCLKSJQSA-N 487.017 4.700 50 10 JJGE BrC[C@@]12CC[C@@H]1CN(Cc1ccc(I)c(Br)c1)C2 2325232606 DAFXVALHOGPLIB-BXUZGUMPSA-N 485.001 4.661 50 10 JJGE CC(C)(C)c1csc(C(C#N)=C(O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 2331308078 KVOTVQIRFUYEEO-UHFFFAOYSA-N 468.535 4.998 50 10 JJGE O=C(NCC[C@@H]1CCC[C@@H]1Br)c1ccc(Cl)cc1I 2340064752 RLCWASPEFUCEAN-CABZTGNLSA-N 456.549 4.628 50 10 JJGE F[C@@H](CCl)C1CCN(Cc2ccc(I)c(Br)c2)CC1 2349860720 VXQOIBBUXUASEV-ZDUSSCGKSA-N 460.556 4.843 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@@H]2CC[C@H](Br)[C@H]1C2 2355761135 PHEPGTDWQAOUFT-NURSFMCSSA-N 468.560 4.723 50 10 JJGE BrC[C@H]1N(Cc2cc(Br)ccc2Br)CC12CCOCC2 2381040910 LREFUGHORCPQIJ-CQSZACIVSA-N 468.027 4.588 50 10 JJGE N#C/C(C(N)=O)=C1\S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1 16758902 UOGGUPMYBLGQSF-TWQQJCIXSA-N 452.750 4.558 50 10 JJGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(CC)cc2)c(OCC)c1 33378296 DPDZEVCCHIZQJP-PGMHBOJBSA-N 451.519 4.882 50 10 JJGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NCCCOC(C)C)c1 33912126 SOKPKQYQLAYOLJ-PGMHBOJBSA-N 488.588 4.757 50 10 JJGE Cc1ccc(C(=O)NNC(=O)[C@@]23CC[C@@H](c4nc5cc(Cl)c(Cl)cc5nc42)C3(C)C)cc1 39855029 YATBPNOZKDYRKL-LFPIHBKWSA-N 469.372 4.861 50 10 JJGE CN(Cc1csc(Br)c1)S(=O)(=O)c1cc(CCl)sc1Br 91271190 DROWMDLLONZWQJ-UHFFFAOYSA-N 479.668 4.894 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 101339815 LRBMAOCCDABQSE-FSJBWODESA-N 496.494 4.926 50 10 JJGE CCn1cc(CC(CBr)(CBr)c2ccccc2Br)cn1 118878954 NRXSUYUDJKWLNH-UHFFFAOYSA-N 465.027 4.936 50 10 JJGE COc1cc(C=NNC(=O)c2cccc3ccccc23)ccc1OCc1ccc(C(=O)O)cc1 254340933 LLKXVXCNPCVOHK-UHFFFAOYSA-N 454.482 4.890 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)n2-c2ccccc2)cc1 254397814 IHFGDTHJJZQSGW-UHFFFAOYSA-N 482.569 4.667 50 10 JJGE N#Cc1ccc(C=NNC(=O)c2cc(-c3cccnc3)nn2-c2cccc(C(F)(F)F)c2)cc1 254513288 KKTWYNZVDMSPIF-UHFFFAOYSA-N 460.419 4.589 50 10 JJGE CCC(CC)N(CCCl)C(=O)c1ccc(I)c(Br)c1 721511120 RLKBZENMXUMRCX-UHFFFAOYSA-N 458.565 4.923 50 10 JJGE O=C(O)C(CCl)(CCl)CN(N=Nc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 1084271692 RVZKRJLDUVQNBL-UHFFFAOYSA-N 456.242 4.557 50 10 JJGE O=C(CSCc1cccc(Cl)c1)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 1084405821 JQSQNKKILNAPKW-UHFFFAOYSA-N 467.978 4.741 50 10 JJGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1C(=NNC(N)=O)CC(C)(C)C2 1772728835 AMYWTKYCPIAFAR-UHFFFAOYSA-N 456.852 4.857 50 10 JJGE C[C@H]1CN(Cc2ccccc2)C[C@H](C)N(S(=O)(=O)c2cc(CCl)sc2Br)C1 1921421069 WJCKDYPQZJXUCE-GJZGRUSLSA-N 491.904 4.781 50 10 JJGE O=C(c1ncc(Br)cc1F)N(Cc1ccccc1)[C@H](CBr)C1CC1 2002340042 TYDIBPDEFYILLP-MRXNPFEDSA-N 456.153 4.799 50 10 JJGE C[C@H]1CN(C(=O)c2csc(Br)c2Br)C[C@H](C)C1Br 2032953562 LQLZKWFTTXMFNW-BQBZGAKWSA-N 460.029 4.765 50 10 JJGE C[C@@H]1CC[C@@](CBr)(NC(=O)c2cc(Br)sc2Br)C1 2074212907 REKVDDJWQXOGER-JMCQJSRRSA-N 460.029 4.957 50 10 JJGE CC1(C)CC[C@@H](Br)CN1C(=O)c1ccc(Br)cc1Br 2099880856 ZDBAJGYMWZKKLC-SNVBAGLBSA-N 454.000 4.990 50 10 JJGE O=C(c1cccc(Br)c1Br)N1[C@H]2CC[C@@H](C2)[C@@H]1CBr 2122179186 JOVHHEZYFPSJMD-AUTRQRHGSA-N 451.984 4.600 50 10 JJGE N#Cc1ccnc(COc2c(Br)cc(Br)cc2CBr)c1 2143655980 BESOJDYVPIQTCR-UHFFFAOYSA-N 460.951 4.952 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@H]2[C@@H](Br)CCC[C@H]2C1 2150961591 MOCNKZYJLZITPD-WCQGTBRESA-N 466.011 4.847 50 10 JJGE CC(C)(C)C[C@@H](CBr)CNS(=O)(=O)c1cc(Cl)c(Br)s1 2156327910 BTXYDXUQUXKCRD-QMMMGPOBSA-N 467.676 4.890 50 10 JJGE CN(C[C@@H](Br)C1CCCCC1)C(=O)c1ccccc1I 2167654714 ZNIONTRMSSFJJJ-CQSZACIVSA-N 450.158 4.707 50 10 JJGE C[C@@H](Br)C[C@@H]1CCCCN1C(=O)c1cc(I)ccc1F 2169664033 PXAIISQCMSJCHA-PWSUYJOCSA-N 454.121 4.599 50 10 JJGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ccc(CBr)c(Cl)c1 2179778757 GLRFQDQZAKFTRO-CVEARBPZSA-N 471.848 4.518 50 10 JJGE CCN(C(=O)c1ccc(I)c(Cl)c1)[C@@H]1CCC[C@@H]1Br 2224423211 VAHOWWZAYACWLV-GXFFZTMASA-N 456.549 4.723 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2CCC[C@]2(CBr)C1 2283661376 AJLCPULSGQHVSD-ABAIWWIYSA-N 468.560 4.582 50 10 JJGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)ccc1Oc1ccc([N+](=O)[O-])cn1 2294168668 ZDKXJNPHIBBQDH-UHFFFAOYSA-N 450.838 4.990 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@H](Br)[C@H]2CC[C@@H]21 2295314067 SRISVCVIQMOKFN-RDBSUJKOSA-N 466.011 4.529 50 10 JJGE C[C@H]1CCc2c(sc(NC(=O)C(C#N)=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2C(N)=O)C1 2296833130 FAUMZBJJOAKNFO-ZDUSSCGKSA-N 476.514 4.686 50 10 JJGE Cc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(C(=O)O)cc1 2297633526 MNXLXEGCIDJCTP-UHFFFAOYSA-N 452.514 4.540 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2cccc(Br)c2)c(OC)c1 2314776910 ASSFHBVETNFUCR-UHFFFAOYSA-N 457.324 4.500 50 10 JJGE CC[C@H](NC(=O)C(C#N)=CN1CCN(c2cccc(C)c2C)CC1)c1ccc2c(c1)CCCC2 2318467989 ILRZOHAQEYHKRJ-MHZLTWQESA-N 456.634 4.979 50 10 JJGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1c(F)cc(Br)cc1F 2320359510 DMJRFNNTXZENGB-AWEZNQCLSA-N 477.143 4.828 50 10 JJGE COc1ccc(-c2ccc(C(=O)NNC(=O)C=Cc3ccc(C(C)C)cc3)c(C)n2)cc1OC 2321169220 WAPDWVYMECYHNE-UHFFFAOYSA-N 459.546 4.672 50 10 JJGE COc1cc(C=C(C#N)c2nc3cc(C)ccc3n2C)ccc1OCC(=O)Nc1ccccc1 2331018535 KMUGVEWVPFWCAI-UHFFFAOYSA-N 452.514 4.972 50 10 JJGE COc1ccccc1-c1csc(C(C#N)=C(O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 2331282385 NIWRCCMPHOVFGF-UHFFFAOYSA-N 464.503 4.513 50 10 JJGE C[C@@H](Br)CCCN(C)C(=O)Cc1cc(Br)cc(Br)c1 2336059192 IQEHOUNIYKYWFL-SNVBAGLBSA-N 456.016 4.776 50 10 JJGE CC[C@@]1(C)[C@H](Cl)CCN1C(=O)c1cc(I)ccc1Br 2336762280 QEKIZUZJVPQQHX-OCCSQVGLSA-N 456.549 4.676 50 10 JJGE CN(C(=O)c1ccc(Cl)cc1I)[C@@H]1CCCC[C@H]1Br 2340058779 SSPLEYWIRYZJJC-DGCLKSJQSA-N 456.549 4.723 50 10 JJGE CC[C@@H](C)Oc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 10292277 JDIVBQGLCYHXNV-OAHLLOKOSA-N 477.399 4.764 50 10 JJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3cccc(OCCC(C)C)c3)cc2)c1 14644595 RVKMPYUORXCPIT-UHFFFAOYSA-N 459.546 4.747 50 10 JJGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2)cc1 38650396 KQDYCUOYARAJPJ-WGDIFIGCSA-N 470.525 4.849 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@@H]1c1ccc(F)cc1 38653302 JYORKMCOFBQORU-NRFANRHFSA-N 465.824 4.825 50 10 JJGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 38654767 JXLVOLFIIDKKHP-XMMPIXPASA-N 469.453 4.597 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@H]1c1cccc(F)c1 38677811 ZHVBNYJTQOGOTJ-HSZRJFAPSA-N 495.304 4.791 50 10 JJGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 58891824 GVORDVLHZLPPNF-AEJDXJHNSA-N 473.529 4.866 50 10 JJGE CCc1cccc(CC)c1NC(=S)N[C@H](NC(=O)C(Cl)Cl)C(Cl)(Cl)Cl 101118024 OASBEGXUBIBWAJ-ZDUSSCGKSA-N 465.661 4.714 50 10 JJGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1=O 214224526 OGLDKAZYEKTZDR-HAHDFKILSA-N 481.512 4.840 50 10 JJGE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3ccccc3C(F)(F)F)cc2)cc1 254487959 WEWSBBJEKNXTIV-UHFFFAOYSA-N 461.465 4.579 50 10 JJGE Cc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1-c1ccc([N+](=O)[O-])cc1 254763316 KQLJHPZCTJZANF-UHFFFAOYSA-N 493.523 4.621 50 10 JJGE COc1ccccc1NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C 786604829 BKGTXBRUXBJIEE-OFBHVFLISA-N 461.493 4.719 50 10 JJGE COc1ccc2ccccc2c1C=NNC(=O)COc1ccc(Br)cc1Br 1084255121 OLZRKRBVTJAKKM-UHFFFAOYSA-N 492.167 4.903 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865708100 NZCWHHCLRKEQTF-HSZRJFAPSA-N 450.498 4.531 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1 1865712624 DBGNOSRVUCOKOA-KRWDZBQOSA-N 478.833 4.969 50 10 JJGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714578 MVBFWRMYBILSTC-LJQANCHMSA-N 453.315 4.614 50 10 JJGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)Cc1ccc(Br)s1 1865755678 LKMAVGZSGWJENR-UHFFFAOYSA-N 464.772 4.538 50 10 JJGE CCOc1cc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1ccc(Cl)cc1 1873793514 NYNBJFXLBJTADM-HEOQCTJZSA-N 475.973 4.681 50 10 JJGE CN(C[C@@H]1C[C@@H]1Br)C(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 1910143713 PYYWEUSIBDGCIT-GWCFXTLKSA-N 462.182 4.652 50 10 JJGE O=S(=O)(c1ccc(Br)cc1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915170131 OHUXQBDYEMEDBV-GOSISDBHSA-N 473.230 4.814 50 10 JJGE Brc1cccc(CN2C[C@H](Br)C[C@]3(CCCO3)C2)c1Br 1924261795 ZXIBTQADBVFFRQ-IUODEOHRSA-N 468.027 4.730 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@@H](CBr)C2CCC2)CC[C@@H]1C(F)(F)F 1966469320 CPCRHBZJVQROSN-OAGGEKHMSA-N 457.375 4.823 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 2010828396 GEKMLLQTJPXXGU-JKSBSHDWSA-N 475.721 4.518 50 10 JJGE O=C(CBr)c1ccc(OC(F)(F)F)c(I)c1Br 2054836382 OHMGDAYXDUWYJB-UHFFFAOYSA-N 487.835 4.530 50 10 JJGE C[C@@H]1C[C@@H](CBr)CCN1C(=O)c1cc(Br)ccc1Br 2115841311 DORSXSZFGORBBE-ZJUUUORDSA-N 454.000 4.847 50 10 JJGE C[C@@H]1C[C@@H](CBr)CCN1C(=O)c1ccc(I)c(Cl)c1 2115844926 VWLAPBUKJMVBNY-ZJUUUORDSA-N 456.549 4.580 50 10 JJGE CC(C)C[C@H](CBr)CNC(=O)c1cc(Cl)ccc1I 2120743526 WPHCGZFUHHPQCH-SNVBAGLBSA-N 458.565 4.732 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1scc(Br)c1Br 2139715025 QJBFVQKWMBJWMQ-OORONAJNSA-N 472.040 4.955 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CCC(COCCBr)CC1 2167402204 RYGDDZOOWDTLHK-UHFFFAOYSA-N 490.055 4.537 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](Cl)CC12CCC2 2169893544 CZETVRMKKORSMX-NSHDSACASA-N 468.560 4.820 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H](Br)C2(CCCC2)C1 2174367702 DEZLYIXDMMZKKW-CYBMUJFWSA-N 468.560 4.724 50 10 JJGE CCOc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)cc1CBr 2179830821 PHQAUNOBOJPMRG-INIZCTEOSA-N 452.414 4.970 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@H](Cl)C2)c1cc(I)ccc1Br 2204563641 NRKIAQBNKRKZLV-IQDGUBICSA-N 468.560 4.580 50 10 JJGE O=C(N[C@@H](CCl)CC1CCCC1)c1ccc(Br)cc1I 2207267816 NONLKNFVPGNRNZ-GFCCVEGCSA-N 470.576 4.971 50 10 JJGE CC(C)(C)OC(=O)N1CCN(CCCCCI)[C@H](c2ccccc2)C1 2220220563 ULLADMAWAREBPJ-SFHVURJKSA-N 458.384 4.886 50 10 JJGE CC1(C)CN(C(=O)c2ccc(I)c(Br)c2)C[C@H]1CCCl 2238470815 ROEWPBOPRPKJGF-LLVKDONJSA-N 470.576 4.781 50 10 JJGE Cc1ccc(I)c(C(=O)N(C)[C@@H]2CCCCC[C@@H]2Br)c1 2240925430 YGHXQQDCNGWHRM-DZGCQCFKSA-N 450.158 4.768 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 2313681089 GITKJEIUSNMDCL-UHFFFAOYSA-N 457.442 4.758 50 10 JJGE COc1sc([C@@H](Br)c2c(Br)nc(C)n2C)cc1Br 2315600377 QUNJOBXLYLDRPI-MRVPVSSYSA-N 459.001 4.808 50 10 JJGE CCN(C[C@@](C)(CI)OC[C@@H]1C[C@H]2[C@@H](C1)C2(F)F)C(=O)OC(C)(C)C 2320757115 LNRPMAJCNXRGJP-UMPJEAMMSA-N 473.342 4.745 50 10 JJGE C[C@H](NC(=O)C(C#N)=CNCCc1ccccc1Br)c1ccc2c(c1)CCCC2 2325118902 CTGGLXCWPLFIGV-KRWDZBQOSA-N 452.396 4.745 50 10 JJGE Brc1cc(CN2CC[C@H](Br)[C@H]3CC[C@H]32)ccc1I 2325206525 HDBKWJSJCFQGPU-UHIISALHSA-N 485.001 4.802 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)c(OC)c1 2331385668 VLDPJHVEFPIOND-KRWDZBQOSA-N 461.543 4.669 50 10 JJGE CC(C)C[C@H](CBr)CN=S1(=O)CCC2(CC1)CN(C(=O)OC(C)(C)C)C2 2353824974 HDYKGSHOHOSZND-MRXNPFEDSA-N 451.471 4.543 50 10 JJGE O=[N+]([O-])c1cc(Br)c(OC[C@@]2(CBr)CC2(F)F)c(Br)c1 2379916391 RALQRTXQIZBNKZ-JTQLQIEISA-N 479.897 4.919 50 10 JJGE COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1C 10414022 RXHDWKPRKRQEAI-CKMDTHJYSA-N 472.593 4.843 50 10 JJGE C/C(=N\NC(=O)c1cc2c(s1)C[C@H](C)CC2)c1cccc(NS(=O)(=O)c2ccccc2)c1 20572308 BTSKPFXSPASMKW-GUTJXLKISA-N 467.616 4.828 50 10 JJGE CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(C(C)(C)C)cc3)[C@@H]2C1 34782673 HIHVRGDSMSSIEU-FGZHOGPDSA-N 457.578 4.645 50 10 JJGE Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1 39858881 ZMEYIVLGNIDTII-LGMDPLHJSA-N 456.889 4.994 50 10 JJGE CCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)CCC3)cc1 40813005 WWSOBMUPKYINHB-NHFJDJAPSA-N 460.490 4.781 50 10 JJGE CC(C)c1cc(Br)ccc1OCC(=O)N/N=C/c1cccc(Br)c1 40950867 SFRNWZXSIQLXRN-UFFVCSGVSA-N 454.162 4.864 50 10 JJGE COc1ccccc1CN(C(=O)CCl)[C@@H](C(=O)NC1CCCCCC1)c1ccc(F)cc1 97914890 MUSUMCXEHSDJNP-XMMPIXPASA-N 460.977 4.982 50 10 JJGE N#C/C(=C/NCCc1ccccc1Br)C(=O)NC(c1ccccc1)c1ccccc1 216980258 RHLOTWGTMHAUEH-PYCFMQQDSA-N 460.375 4.894 50 10 JJGE C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2ccccc2C(F)(F)F)cc1 254294141 SAJXYSZCOBQYOS-CALCHBBNSA-N 461.484 4.638 50 10 JJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccccc2OC)cc1 254756520 RPHVEGAKGOQQRS-UHFFFAOYSA-N 454.482 4.840 50 10 JJGE C[C@H](Cl)c1nc2cc(I)ccc2n1C[C@H]1CN(Cc2ccccc2)CCO1 312630802 MJOVXGMNVWOHNO-MAUKXSAKSA-N 495.792 4.842 50 10 JJGE CC[C@H]1[C@H](CBr)CCN1C(=O)c1ccc(Br)cc1Br 386325068 UQODULJQBUJCDJ-ZANVPECISA-N 454.000 4.847 50 10 JJGE CC(C)(C)[C@H](CCCl)NC(=O)c1ccc(I)c(Br)c1 721506770 DUOPQKYEPIIPSY-LBPRGKRZSA-N 458.565 4.827 50 10 JJGE O=C(NN=Cc1ccccc1C(=O)O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 1084006802 RXISFNXKGDKCAK-UHFFFAOYSA-N 455.558 4.603 50 10 JJGE C=C(Cl)CSc1nc(C)c(CC(=O)NNc2ccc(Br)c(F)c2)s1 1138310829 QEYJMQSJBWSHQK-UHFFFAOYSA-N 450.786 4.884 50 10 JJGE Cc1c(Cl)cccc1NC(=O)COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1 1858682025 WGOMITACCVIHKO-UHFFFAOYSA-N 456.842 4.580 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1cccs1 1865698075 JTTCDVNHPSAROY-ZDUSSCGKSA-N 467.270 4.933 50 10 JJGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cn(C)c3ccccc13)C(C#N)=C(N)O2 1865699662 ZJXXBJGMDDAFOD-NRFANRHFSA-N 474.362 4.907 50 10 JJGE CCCC[C@@H](NC(=O)CCCc1ccc(OC)c(OC)c1)C(=O)Nc1ccc(SC#N)cc1 1866785140 LDPPOCBCWRCSFZ-OAQYLSRUSA-N 469.607 4.913 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)c(OC)c1OC 1872759679 WFXMVZBPJYGNDO-RGEXLXHISA-N 498.473 4.911 50 10 JJGE Clc1ccc([C@H]2CCC[C@H](CI)O2)c(I)c1 1903699686 OSJWCLMKVFBVAL-BXKDBHETSA-N 462.496 4.990 50 10 JJGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1c(F)cc(F)cc1F 1915300073 LNIPYELKZKLVNV-KRWDZBQOSA-N 450.320 4.714 50 10 JJGE Cc1cccc([C@@H](Br)c2cc(S(C)(=O)=O)cs2)c1I 2093075591 YLANPTVELZVKCS-GFCCVEGCSA-N 471.179 4.549 50 10 JJGE Cc1c(Br)c(C[C@H](CBr)c2ccccc2Br)nn1C 2093835538 TVNIFXDUMZJSQR-SNVBAGLBSA-N 451.000 4.975 50 10 JJGE O=C(c1csc(Br)c1Br)N1CC[C@H](Br)C(F)(F)CC1 2093942404 REEFDJIOQBQFNK-ZETCQYMHSA-N 481.982 4.908 50 10 JJGE O=C(c1c(Br)cccc1Br)N1[C@H]2CC[C@H]1[C@@H](CBr)C2 2100990506 DCPGNNBQAVHTNO-PTRXPTGYSA-N 451.984 4.600 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CCC2(CC(Br)C2)C1 2117404788 ORBBSPOIZPXWHS-UHFFFAOYSA-N 451.984 4.601 50 10 JJGE O=C(N[C@@H](CCl)c1ccsc1)c1cc(I)ccc1Br 2119038964 LKSBTWVGMYSKFC-LBPRGKRZSA-N 470.557 4.825 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2148752614 OXWKIUIKEFHXLF-BREBYQMCSA-N 466.011 4.990 50 10 JJGE C[C@@H]1Cc2cc([C@H](Br)c3cc(Br)n(C)n3)cc(Br)c2O1 2150478513 LIUNJYNSRUNYQM-UHLUBPPHSA-N 464.983 4.753 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CC[C@@H](CCl)C12CCC2 2190347329 NDQHOQAGMAKKQL-JTQLQIEISA-N 468.560 4.677 50 10 JJGE O=C(NC[C@@]1(CCl)C[C@@H]1C(F)(F)F)c1cc(Br)c(Br)s1 2192571231 AKUWCZAOQZWZER-XVKPBYJWSA-N 455.521 4.810 50 10 JJGE O=C(NC[C@@]1(CBr)C[C@@H]1C(F)(F)F)c1csc(Br)c1Br 2192586553 KUROSBOUCJSFIP-WKEGUHRASA-N 499.972 4.966 50 10 JJGE O=C(NC[C@@]12CCC[C@]1(CBr)C2)c1cc(Br)cc(Br)c1 2208039793 NFBZBUKUAGTXTF-CABCVRRESA-N 466.011 4.897 50 10 JJGE CC1(C)CN(C(=O)c2ccc(Br)cc2I)C[C@H]1CCCl 2238462675 GWDZAOOUJGWNEG-SNVBAGLBSA-N 470.576 4.781 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@H]2CC[C@H]1C[C@H]2NC(=O)OC(C)(C)C 2248821347 QEZNCDTZSOBAAF-BSDSXHPESA-N 475.721 4.564 50 10 JJGE COc1ccc([C@@H](Br)CCOCC(F)(F)F)cc1I 2269546985 TXMVVDACMVRWMU-VIFPVBQESA-N 453.036 4.705 50 10 JJGE C[C@H](Br)CN(C(=O)Cc1cc(Br)cc(Br)c1)C1CC1 2277935843 IWXPNJUOXKAEJO-VIFPVBQESA-N 454.000 4.529 50 10 JJGE O=C(NC[C@H]1CCCC[C@@H]1CBr)c1ccc(Cl)c(I)c1 2283651891 NHVULMYTNBJZDB-VXGBXAGGSA-N 470.576 4.876 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@@H]1CCC[C@@H]1CBr 2295314859 DROMJCBVQOVNFI-NEPJUHHUSA-N 468.027 4.682 50 10 JJGE Cc1c(F)ccc(CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)c1Cl 2301346661 SZQSQFVHMIETRG-KGLIPLIRSA-N 469.722 4.727 50 10 JJGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(Br)ccc1F 2303540488 RVAWENMMTAAANU-OAHLLOKOSA-N 459.153 4.688 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1[C@H]2CC[C@@H]1C[C@H]2CBr 2309693946 GKXPFEQBZQZQGO-OOZYFLPDSA-N 458.013 4.661 50 10 JJGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1scc(Br)c1Br 2310046771 IXHAPOAYXSSSBP-AZRUVXNYSA-N 458.013 4.565 50 10 JJGE COc1cc(C=C(C#N)c2nc(O)c3cc(Cl)ccc3n2)ccc1OCC(=O)Nc1nccs1 2314488264 KZGMHAXOVHHJCO-UHFFFAOYSA-N 493.932 4.536 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc([N+](=O)[O-])cc2)sc2c1CC[C@H](CC)C2 2314571036 AUQUUHOKBPYENI-AWEZNQCLSA-N 453.520 4.894 50 10 JJGE Cc1ccc(Cn2cccc(C(=O)NN=Cc3ccccc3OCc3ccccc3)c2=O)cc1 2323648152 CTMUVHIAEMVNGP-UHFFFAOYSA-N 451.526 4.548 50 10 JJGE CC(C)(C)N1C[C@@H](Br)[C@H](Cc2ccc(Cl)cc2I)C1 2341033306 VDDGLMBBTQXVQH-DGCLKSJQSA-N 456.593 4.981 50 10 JJGE CC(C)CN1C[C@@H](Br)[C@@H](Cc2ccc(Cl)cc2I)C1 2341060691 YINDFKVXQGWHEX-GXTWGEPZSA-N 456.593 4.838 50 10 JJGE Clc1ccc(I)cc1CN1C[C@H](CBr)C2(CCC2)C1 2352410956 QXIJHBVKJQMHMP-LBPRGKRZSA-N 454.577 4.942 50 10 JJGE C[C@H]1CC2CC(CO[C@H](CI)c3ccc(Br)cc3)(C2)O1 2368120752 LXLRJMBAVUKQAY-RRFBRVDKSA-N 451.142 4.899 50 10 JJGE N#C/C(=C/c1cn(CC(=O)NCc2ccco2)c2ccccc12)C(=O)Nc1ccc(Cl)cc1 883545 NGIFMDMRGVVPLH-ATVHPVEESA-N 458.905 4.750 50 10 JJGE C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)COc2ccc(Br)cc2Br)C1 12584104 ATIPHOKEMMFTKM-IQQDNESTSA-N 456.178 4.995 50 10 JJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2OCCC(C)C)cc1 14033705 SAQDINCHRBHZBT-UHFFFAOYSA-N 459.546 4.747 50 10 JJGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)c1 14644890 RUTGJDZVJIAANJ-UHFFFAOYSA-N 475.614 4.579 50 10 JJGE CCCOc1ccccc1C(=O)NNC(=O)COc1ccc([C@@H](C)CC)cc1Br 14832346 AYLLEBGVUFJHJQ-HNNXBMFYSA-N 463.372 4.591 50 10 JJGE CC1=CC[C@](C(=O)O)(C(=O)N/N=C/C2=C(O)CC(C)(C)CC2=O)C[C@H]1c1ccc(Cl)cc1 20035964 RMIBHHGRVDLZEG-QVOQHLEASA-N 458.942 4.538 50 10 JJGE CN(C)c1ccc(/C=N/NC(=O)c2cc(Br)ccc2OCc2ccccc2)cc1 27528112 ZARYGFUYCQEZAS-MFKUBSTISA-N 452.352 4.858 50 10 JJGE Cc1nn(-c2ccccc2)c(C)c1/C=C(/C#N)C(=O)OCC(=O)NCc1ccc(Cl)cc1Cl 33527790 KQQLBWVLRBVLFK-ZDLGFXPLSA-N 483.355 4.563 50 10 JJGE N#C/C(=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 33930120 IGBUZDTYHZCBOF-YBEGLDIGSA-N 492.831 4.921 50 10 JJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)cc1OCC 38683859 GHNMBNIKGQYJKK-XMMPIXPASA-N 460.486 4.904 50 10 JJGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/C=C/c1ccccc1 58989867 LGJWXVFVZHPQJI-FFPAVCRRSA-N 467.598 4.960 50 10 JJGE COc1cc(/C=N/NC(=O)c2cc(F)c(F)cc2Cl)ccc1OCc1ccc(C(=O)O)cc1 59158567 XNCYNTOILUDKCR-LUOAPIJWSA-N 474.847 4.668 50 10 JJGE O=C(CSc1ccccc1)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 59166459 PAHGFUNAPOWJOM-VYIQYICTSA-N 494.414 4.651 50 10 JJGE O=C(N/N=C\c1ccc(Cl)cc1Cl)c1ccc(Nc2nc3ccccc3c(=O)[nH]2)cc1 169927940 BDELOEAIQBHGNB-ROTLSHHCSA-N 452.301 4.737 50 10 JJGE CC[C@H](CO[Si](C)(C)C(C)(C)C)NC(=O)C(=O)N[C@H](CC)CO[Si](C)(C)C(C)(C)C 206099955 OGCNVHFVKJLKGM-QZTJIDSGSA-N 460.808 4.820 50 10 JJGE COc1cc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)ccc1O 252623717 OXUBFMAGXIHONM-UHFFFAOYSA-N 480.977 4.695 50 10 JJGE CC(=NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1cc2ccccc2o1 254761215 UNLCCFPESIASBX-UHFFFAOYSA-N 475.570 4.716 50 10 JJGE O=C(CBr)c1cc(C(F)(F)F)cc(Br)c1I 575696091 RTSXONOMDHOQGT-UHFFFAOYSA-N 471.836 4.650 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@]1(C)CBr 703736560 VJMSVMFMXABGON-OTYXRUKQSA-N 454.000 4.705 50 10 JJGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@H]1CC(CCl)C2 719224554 BAFNAUVGWLBLIO-RYUDHWBXSA-N 468.560 4.676 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)c(C)n1CCC(C)C 731337562 GNGAANUHEHXGTH-FCKOQQNDSA-N 483.634 4.649 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2cccc(CN3CCSCC3)c2)c(-c2ccccc2)n1 747191459 HJCFJOGGRYPEFM-HAVVHWLPSA-N 482.613 4.558 50 10 JJGE CC(=NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12)c1cc2cc(Br)ccc2o1 916318360 QYKKJEBYWFKMGY-UHFFFAOYSA-N 467.323 4.640 50 10 JJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)cc1OCC 1865688143 KNAKGUBJNAXFET-VWLOTQADSA-N 458.562 4.954 50 10 JJGE CCC[C@H](NC(=O)CCCc1ccc(OC)c(OC)c1)C(=O)Nc1ccc(SC#N)cc1 1866779736 RETNOKHEKKZBIO-FQEVSTJZSA-N 455.580 4.523 50 10 JJGE CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Br 1984661237 OXCQYSOITWQJON-UHFFFAOYSA-N 461.219 4.943 50 10 JJGE CC[C@@H]1CC[C@H](NCCSSCCNC(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C 1985346919 KBBZJBMZLKYEGQ-DLBZAZTESA-N 463.710 4.660 50 10 JJGE O=S(=O)(c1ccc(CBr)c(Br)c1)N(Cc1ccccc1)CC1CC1 2009710779 NWJBWIPSGCDETC-UHFFFAOYSA-N 473.230 4.945 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(Cl)c(Br)c1 2061267984 MNKGQINHPKNSSI-UHFFFAOYSA-N 469.854 4.738 50 10 JJGE COCC12CC([C@@H](Br)c3cc(Br)c(Br)s3)(CO1)C2 2085222720 PRSZCXASLJMXTA-GCVQQVDUSA-N 461.013 4.905 50 10 JJGE CC(C)[S@](=O)(=NC[C@H](CBr)CC1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2126853179 VROKNMKUIWNREN-PVRZRQTBSA-N 451.471 4.683 50 10 JJGE CCCN1CCC[C@H]([C@@H](Br)c2cccc(OCc3ccccc3)c2)S1(=O)=O 2145783967 WVLXWXSLNLUFJE-RTWAWAEBSA-N 452.414 4.906 50 10 JJGE Cc1csc(CBr)c1S(=O)(=O)N(C)[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2179819346 KXJJRKDSHOVAGH-APWZRJJASA-N 472.470 4.956 50 10 JJGE O=S(=O)(c1ccc(OCCCBr)cc1)N(Cc1ccccc1)C1CCCC1 2179828416 PTKQYKHZMNNVBU-UHFFFAOYSA-N 452.414 4.984 50 10 JJGE Cc1cc(C(=O)N[C@H]2C[C@@H](Br)CC(C)(C)C2)ccc1I 2207106315 WZIMMZRHCBUWOJ-OLZOCXBDSA-N 450.158 4.672 50 10 JJGE Cc1ccc(C(=O)N2CCCC[C@H]2CCCBr)cc1I 2232826284 LCXNIBBAAJHDOM-AWEZNQCLSA-N 450.158 4.769 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(CCCCI)C2)C1 2248249723 NBMCDVAUOUKOCL-IAGOWNOFSA-N 450.405 4.561 50 10 JJGE O=C(NC[C@H]1CCCC[C@H]1CBr)c1ccc(Cl)c(I)c1 2283651889 NHVULMYTNBJZDB-NWDGAFQWSA-N 470.576 4.876 50 10 JJGE COC(=O)c1ccc(-n2c(C)cc(C=C(C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)cc1 2313556268 TZUUZOKRJZXACA-UHFFFAOYSA-N 466.541 4.628 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(Cl)cc1 2314737173 PUDDIJPBKDYKRS-UHFFFAOYSA-N 476.916 4.556 50 10 JJGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1ccc(Br)cc1 2325405781 SVGMKMAVKZYWHM-UHFFFAOYSA-N 482.119 4.820 50 10 JJGE C=CC[C@H](Br)[C@H]1CCN1C(=O)c1cc(I)ccc1Br 2335809227 DWOJKBXDQJDKBT-QWHCGFSZSA-N 498.984 4.608 50 10 JJGE FC(F)(F)[C@@H]1C[C@H](Cl)CCN1c1ncc(I)cc1Br 2336386591 FVERUCNVVVYPPM-MUWHJKNJSA-N 469.470 4.587 50 10 JJGE O=C(N[C@@H]1C[C@H](CBr)C12CCC2)c1ccc(Cl)c(I)c1 2379722390 YFRARWCTFLLTQG-ZWNOBZJWSA-N 468.560 4.628 50 10 JJGE COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1OC 2664172 FXMSMFNGRCMNES-HYARGMPZSA-N 490.531 4.696 50 10 JJGE O=C(CSc1ncnc2scc(-c3ccccc3)c12)NNC(=O)c1ccc(Br)cc1 23561400 WMRXFJUTAUSTCY-UHFFFAOYSA-N 499.415 4.674 50 10 JJGE Cc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)c1 39992978 RFVJDIJJYHSLDA-NBVRZTHBSA-N 454.461 4.788 50 10 JJGE CCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)C)cc1OCC 40951029 GOGBDYLNPJWQII-ZMOGYAJESA-N 463.372 4.899 50 10 JJGE Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1C 59505924 YAAMBNQUUWXYNL-VULFUBBASA-N 480.362 4.734 50 10 JJGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242037 JYSJFUHOHWPNPH-YDYXIROLSA-N 475.545 4.724 50 10 JJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@@H](CC)C2 209406933 AUQUUHOKBPYENI-VQCBNXJZSA-N 453.520 4.894 50 10 JJGE N#C/C(=C/Nc1ccccc1N1CCOCC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217250130 REVVXZQZIZEFTL-YPKPFQOOSA-N 450.848 4.653 50 10 JJGE CC(C)(CCCBr)CNC(=O)c1cc(Cl)ccc1I 227933368 LZZOUMBBMWSYNX-UHFFFAOYSA-N 458.565 4.876 50 10 JJGE O=C(N[C@@H]1CCCC[C@H]1CCl)c1cc(I)ccc1Br 231601220 YIKHXKVNEUHQSB-TVQRCGJNSA-N 456.549 4.581 50 10 JJGE CC(/C=C/C=C/c1ccccc1)=NNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 252630521 VBJBUXRYMVWCGM-KARUWYSXSA-N 479.536 4.948 50 10 JJGE COc1cc(C=NNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccccc1C#N 254432589 RDANZXFZRSARTK-UHFFFAOYSA-N 470.441 4.564 50 10 JJGE COc1ccc(C=NNC(=O)c2ccccc2[N+](=O)[O-])cc1CSc1nc(C)cc(C(F)F)n1 254596259 ROUZUWJGFROQNK-UHFFFAOYSA-N 487.488 4.696 50 10 JJGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1cccc(OC(=O)c2ccc(OC)cc2)c1 254842766 XCHZVHPQLFYIHB-UHFFFAOYSA-N 481.593 4.621 50 10 JJGE CC(C)(C)OC(=O)N1C(=O)OC(=O)[C@@H]1CCCNC(=O)OCC1c2ccccc2-c2ccccc21 309660415 LSHXTBOJSKJSQG-NRFANRHFSA-N 480.517 4.588 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2cccc(Br)n2)C1 382711189 HFZFAKJMPVHRCR-CABCVRRESA-N 454.162 4.591 50 10 JJGE BrCc1cc(Br)cc(Br)c1I 575693622 BQLZABNCEQTXQZ-UHFFFAOYSA-N 454.725 4.711 50 10 JJGE BrCc1c(I)ccc(Br)c1Br 575694738 NUDSUTIIDGDBSP-UHFFFAOYSA-N 454.725 4.711 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CCSC[C@@H]1CCBr 689279388 NXRXLIMSGVXGKM-JTQLQIEISA-N 472.040 4.554 50 10 JJGE O=C(NN=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1ccccc1F 1084145512 UXJQCMMBZJSIOX-UHFFFAOYSA-N 460.292 4.800 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc(Cl)c(C)c2)ccc1OC(=O)c1cccc(F)c1 1565517506 GJKRDUHHCDXMCT-UHFFFAOYSA-N 470.884 4.544 50 10 JJGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(Cl)c2)CCC3)cc1 1772746115 PSAUSUFOHVLXPA-UHFFFAOYSA-N 479.920 4.751 50 10 JJGE N#CSc1ccc(NC(=O)c2ccnc(NC(=O)c3cccc(Br)c3)c2)cc1 1860504749 PIFMZVXQAYHLCB-UHFFFAOYSA-N 453.321 4.922 50 10 JJGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865689062 JCKRAIPCXIKNBS-NRFANRHFSA-N 471.904 4.520 50 10 JJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1 1865708545 AWKOYXQGMJVWMV-LJQANCHMSA-N 482.462 4.572 50 10 JJGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2OC)cc1 1865710038 MZMXANJYDDKLQE-HSZRJFAPSA-N 450.498 4.775 50 10 JJGE CCOC(=O)c1cnn(-c2cccc(Cl)c2)c1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1 1866128496 VIHRNWVEWHMWHQ-XNTDXEJSSA-N 455.301 4.901 50 10 JJGE CC(C)[C@@H](CBr)N(Cc1ccccc1)c1ncc(I)cn1 1915296577 VYPMQVUHHDSMPX-OAHLLOKOSA-N 460.157 4.507 50 10 JJGE C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)C1CCC(NC(=O)OC(C)(C)C)CC1 2010824767 ABFHKFBOVHMPRQ-WWDZGPRUSA-N 477.737 4.954 50 10 JJGE O=C(N[C@@H]1CC[C@H]2C[C@@]21CBr)c1scc(Br)c1Br 2068359535 UQNLVNNELHUNKV-BLYIZYRKSA-N 458.013 4.567 50 10 JJGE CC1(C)CC[C@@H](Br)CN1C(=O)c1cc(Br)cc(Br)c1 2099879418 LGNOFXWSNOKJEO-SNVBAGLBSA-N 454.000 4.990 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNc1cc(F)cc(Br)c1[N+](=O)[O-] 2125296903 QPJZFZDFVUUCTQ-UHFFFAOYSA-N 470.386 4.814 50 10 JJGE CC1(C)CC[C@@H](CBr)N1C(=O)c1cc(Cl)ccc1I 2140853186 SBKCDUAXZXDTAT-JTQLQIEISA-N 456.549 4.723 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CCC([C@@H](F)CBr)CC1 2163247663 VHZINCCMACFFKL-LBPRGKRZSA-N 471.990 4.797 50 10 JJGE O=S(=O)(c1ccc(Br)c(CCl)c1)N1CC2(CC(OCc3ccccc3)C2)C1 2165079017 ZJLIZLAQDQOVIW-UHFFFAOYSA-N 470.816 4.558 50 10 JJGE O=C(N[C@@H](CBr)CC1CCCC1)c1cc(I)ccc1F 2169661510 GTNHKOPAZLDQQV-GFCCVEGCSA-N 454.121 4.504 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@@H](CBr)C12CCC2 2190364229 VWBFHECUPYPNIT-NSHDSACASA-N 468.560 4.724 50 10 JJGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@H]1CC(CCl)C2 2207260060 ONPRXGRIWLIADT-RYUDHWBXSA-N 468.560 4.676 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@@H](Br)CCC12CC2 2220272115 INLVJHIPXVSXMK-ZETCQYMHSA-N 458.013 4.805 50 10 JJGE Cn1cc(-n2c(CCl)nc3cc(Br)c(Br)cc32)c(Br)n1 2238989937 CDTQAJCUXOPPKU-UHFFFAOYSA-N 483.389 4.785 50 10 JJGE C[C@@H]1CCCN(C(=O)c2ccc(Cl)c(I)c2)[C@H]1CBr 2268345875 ONLRCCHYBNXATO-RNCFNFMXSA-N 456.549 4.580 50 10 JJGE CC(C)(C)[C@@H](Br)CNC(=O)Cc1cc(Br)cc(Br)c1 2277913847 BXRHYOMHXRJMEI-LBPRGKRZSA-N 456.016 4.680 50 10 JJGE CC(C)[C@@H](CCBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277925849 GXESHEKWGDDPLM-CYBMUJFWSA-N 456.016 4.680 50 10 JJGE Cc1c(C(=O)O)cccc1-n1c(C)cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)c1C 2294172053 XJJZNCATEWQCAF-UHFFFAOYSA-N 466.541 4.848 50 10 JJGE CN(C[C@H]1CCC[C@@H]1Br)C(=O)Cc1cc(Br)cc(Br)c1 2295317728 QQAHIDGNYGPKPI-RISCZKNCSA-N 468.027 4.776 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OC 2297491176 OBHNWTNINZAGPW-UHFFFAOYSA-N 480.702 4.964 50 10 JJGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(F)c(Br)c1 2303547163 PFSPHMFMZWCDQE-HNNXBMFYSA-N 459.153 4.688 50 10 JJGE COc1ccc(C)cc1[C@H](Br)c1c(Br)c(Br)nn1C 2338722728 PRCKPRPBFARROC-JTQLQIEISA-N 452.972 4.746 50 10 JJGE CCC(CC)[C@@H](Br)CNC(=O)c1ccc(Cl)cc1I 2340054159 JTRXUCCUBOPUSV-LBPRGKRZSA-N 458.565 4.874 50 10 JJGE CC1(C)C[C@@H](CBr)CN1C(=O)c1ccc(Cl)cc1I 2340058680 PWSOWGRGEYXPSG-VIFPVBQESA-N 456.549 4.580 50 10 JJGE CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(CBr)sc1Br 2364670956 QOINVPPGCJTNJA-UHFFFAOYSA-N 459.612 4.884 50 10 JJGE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)C(=O)Nc1ccccc1Cl 39858827 YICHFCZUYWIMMK-PEZBUJJGSA-N 472.888 4.694 50 10 JJGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814645 NFJRQCNIDJITPL-TWKHWXDSSA-N 497.511 4.696 50 10 JJGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cccc5cccnc45)c(C)c32)c1 40822477 YUDFFGLWHPVHDK-TWKHWXDSSA-N 468.513 4.868 50 10 JJGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC#N)c(Br)c2)cc1 59335223 LNZKSLJMUWUGAJ-ZSOIEALJSA-N 475.140 4.968 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OC 59483931 BXEOTZDDZLYOEH-OQLLNIDSSA-N 462.287 4.553 50 10 JJGE CS(=O)(=O)SCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O 72400501 IQYKMBDQDWEUND-UHFFFAOYSA-N 463.662 4.748 50 10 JJGE in-vitro CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(C(=O)OC)cc2)sc2c1CC[C@H](CC)C2 209407257 KVVGWJJYVRCRCR-BRYHAGSVSA-N 466.559 4.772 50 10 JJGE CC(C)C[C@H](CBr)NC(=O)c1cc(Br)ccc1I 232626056 OSIBVPUPICMACY-SNVBAGLBSA-N 488.989 4.593 50 10 JJGE CCC(CC)(CBr)NC(=O)c1cc(I)ccc1Br 232851628 HAEVMMHINNPBKV-UHFFFAOYSA-N 488.989 4.737 50 10 JJGE BrCc1c(Br)cccc1N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 404143947 GXZCIZCTSXVQMS-NHCUHLMSSA-N 480.244 4.824 50 10 JJGE CC[C@H](C)N(CCBr)c1ncc(C(F)(F)F)cc1I 686115721 ZBMVSURODBRGQL-QMMMGPOBSA-N 451.068 4.705 50 10 JJGE C[C@@H](Br)[C@@H]1CCCN(C(=O)c2cc(Br)cc(Br)c2)C1 708341886 WVOAGTOPRKPJHF-NXEZZACHSA-N 454.000 4.847 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H](Cl)C1)c1ccc(I)c(Br)c1 721614247 ADVQGYLPPQXHOY-MWLCHTKSSA-N 456.549 4.581 50 10 JJGE O=C(NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)[C@H]1C[C@H]1c1cccc2ccccc12 730832655 CDEOVUBYRJRFMQ-DQEYMECFSA-N 457.555 4.887 50 10 JJGE CCOc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3cc(Cl)ccc3C)c2C)cc1 1084400907 KKYWJIDAXYCQEI-UHFFFAOYSA-N 452.942 4.543 50 10 JJGE C/C(=C/c1cccc(Cl)c1)C(=O)NNC(=O)COc1ccc(OCc2ccccc2)cc1 1529811501 QEBYWFIWGCQWAU-JXAWBTAJSA-N 450.922 4.549 50 10 JJGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)N3c4ccccc4C[C@H]3C)c(C)c21 1772746131 QBMNHGSFUWKYTD-MRXNPFEDSA-N 457.530 4.658 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccco2)CCC3)c(Br)c1 1772747781 UMICKWGGRIQFDV-UHFFFAOYSA-N 470.323 4.975 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)cc1OC 1865695553 PUVSECBPYGMYOL-XMMPIXPASA-N 458.562 4.736 50 10 JJGE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704857 GEUSKKPBLOYAGA-VWLOTQADSA-N 462.509 4.677 50 10 JJGE C/C(=N/NC(=O)c1ccc(-c2ccc(C)c(C)c2)nc1C)c1ccc2c(c1)N(C)C(=O)[C@H](C)O2 1865763186 ZFPYHNXNNGPNCR-FBZXEHFWSA-N 456.546 4.572 50 10 JJGE C[C@H](NCc1ccc(I)c(Br)c1)[C@@H](C)CBr 1904340357 YGCNOQZYMLYOIT-IUCAKERBSA-N 460.979 4.563 50 10 JJGE O=S(=O)(c1ccccc1Br)N(Cc1ccccc1)C1(CBr)CCC1 1915751802 XMRHGAVQRPPVQQ-UHFFFAOYSA-N 473.230 4.958 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1985347199 OUJVZDIVLFIYEL-SJORKVTESA-N 463.710 4.566 50 10 JJGE CC[C@H](Cl)CN(C(=O)c1ccc(I)c(Br)c1)C1CC1 2107417642 AUDYCHGDPXQBFD-JTQLQIEISA-N 456.549 4.676 50 10 JJGE C[C@@H]1C[C@H](CBr)CCN1C(=O)c1cc(Br)cc(Br)c1 2115844931 VYQZCRICVSKKDL-NXEZZACHSA-N 454.000 4.847 50 10 JJGE C[C@H](Cl)[C@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2142288475 KUIYFJSZCULTAL-TVQRCGJNSA-N 456.549 4.676 50 10 JJGE ClCCc1nc2cncc(Br)c2n1[C@H]1CCOC[C@@H]1OCc1ccccc1 2151794110 VTRTZXBMDNLCBA-ROUUACIJSA-N 450.764 4.522 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CCCCI)CC2)C1 2248251401 YDLYFIMPTQKXSX-QGZVFWFLSA-N 450.405 4.561 50 10 JJGE CCN(C[C@@](C)(CI)OC1CC2(CC(F)C2)C1)C(=O)OC(C)(C)C 2249848575 LKIINOBRQKKSMA-SEEMLRNQSA-N 455.352 4.734 50 10 JJGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2293038513 IJPISXVNTLAGTA-HSZRJFAPSA-N 457.555 4.639 50 10 JJGE Brc1cc(Br)cc(C[C@@H](Br)[C@H]2CCn3ccnc3C2)c1 2295331682 MNGAINGPDCXLLN-SMDDNHRTSA-N 463.011 4.977 50 10 JJGE CCCCCCOc1ccc(C=C(C#N)C(=O)NCCc2ccc(OC)c(OC)c2)cc1OC 2314728418 AYPNPEJMZJZLCJ-UHFFFAOYSA-N 466.578 4.937 50 10 JJGE CCOc1ccc(CCNC=C(C#N)C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1OCC 2324904379 RADFRIMMKHJJTH-FRYXCQQQSA-N 465.638 4.745 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3)n2)cc1OC 2331242297 MGBUIBGIMDPQDV-UHFFFAOYSA-N 455.923 4.703 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)c3cccc(OC(C)=O)c3)n2)c(OC)c1OC 2331412663 SVUBHFIPAWNDIS-UHFFFAOYSA-N 452.488 4.711 50 10 JJGE O=C(N[C@H](CBr)[C@@H]1CC=CCC1)c1ccc(Cl)cc1I 2365585507 BQRSEWOZEWYLKG-QMTHXVAHSA-N 468.560 4.794 50 10 JJGE O=C(N[C@H]1C[C@H](CBr)C12CCC2)c1cc(Br)cc(Br)c1 2379721885 UBSRLDZBEQIHRZ-MFKMUULPSA-N 466.011 4.895 50 10 JJGE Cc1ccccc1NCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1 3075060 XVLBKRFYKKTYDF-VULFUBBASA-N 466.335 4.539 50 10 JJGE Cc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1Br 12487293 RBJIFULFJRNGPO-UHFFFAOYSA-N 492.167 4.513 50 10 JJGE COc1cc(NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)c(OC)cc1Cl 13923885 CJHYLNCRKQUEBE-UHFFFAOYSA-N 455.967 4.507 50 10 JJGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 13980495 GFPYMCVIADBTSI-SFHVURJKSA-N 461.587 4.582 50 10 JJGE CCCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1 20074423 SUPQFMFXHOKXAG-TURZUDJPSA-N 459.546 4.923 50 10 JJGE O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccccc1OCc1ccc(Br)cc1 27528153 AQHDMOAQYLYTTN-SRZZPIQSSA-N 460.309 4.762 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)c1OC 38658938 YSIPGCBJQRMNOA-AREMUKBSSA-N 486.524 4.523 50 10 JJGE Cc1c(C(=O)NC2CCCCC2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813442 NFSKNZNKISSZSV-YZSQISJMSA-N 472.929 4.683 50 10 JJGE CCOc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(OC)cc1)CCC2 40813794 UTDVCGQCZHGURC-VFCFBJKWSA-N 461.518 4.718 50 10 JJGE Cc1cc(-c2ccc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)o2)cc([N+](=O)[O-])c1C 59676710 VBQWEOKRUXJMGD-RCCKNPSSSA-N 456.502 4.727 50 10 JJGE N#CSCc1ccc(CN2C(=O)C(=O)c3cc(Br)cc(Br)c32)cc1 72124727 LRFRSKDYIFHZQL-UHFFFAOYSA-N 466.154 4.655 50 10 JJGE Cn1c(=O)n(C)c2cc([C@H](Cl)c3sccc3Br)c(Br)cc21 111536811 HYWZWXBYVODMRO-LBPRGKRZSA-N 450.583 4.792 50 10 JJGE CCOc1ccc(NC(=O)c2ccc(I)cc2)cc1CBr 124227677 QFMOLIOIDAATEC-UHFFFAOYSA-N 460.109 4.837 50 10 JJGE CC(C)Oc1ccc(/C=N\NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc1Cl 169920796 ZUEIYCNEDPPYMZ-ZMFRSBBQSA-N 458.345 4.755 50 10 JJGE COc1ccccc1N1CCN(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 217250311 RHTKRMKUUZIJQB-PFONDFGASA-N 464.875 4.536 50 10 JJGE Cc1ccc(-c2ccc(C=NNC(=O)c3cccc(I)c3)o2)c([N+](=O)[O-])c1 252629652 UKWLHJGNJVCFJE-UHFFFAOYSA-N 475.242 4.532 50 10 JJGE O=C(/C=C\c1ccccc1)Oc1ccc(C=NNC(=O)C(=O)Nc2cccc3ccccc23)cc1 254871975 JXMHRWWUOVQRBV-XCAUKLPNSA-N 463.493 4.547 50 10 JJGE Cn1ncc([C@H](Br)c2cc(Br)c(Cl)s2)c1I 379145224 CMNJAWUMDSRNHY-ZETCQYMHSA-N 496.393 4.986 50 10 JJGE O=C(NC[C@H]1CCC[C@H](CBr)C1)c1cc(Cl)ccc1I 380100497 MZZMRVPQVYVUDP-QWRGUYRKSA-N 470.576 4.876 50 10 JJGE C[C@H](Cl)[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1I 688775347 DKSWVDLBRRRWKO-ZANVPECISA-N 456.549 4.676 50 10 JJGE C[C@H]1CCN(C(=O)c2cc(Br)cc(Br)c2)C[C@@H]1CBr 700431728 JQNURXUEBXEVRT-ONGXEEELSA-N 454.000 4.705 50 10 JJGE C[C@@H]1CCC[C@](CBr)(NC(=O)c2cccc(F)c2I)C1 721672569 NBIKTKIPFOCLLP-BMIGLBTASA-N 454.121 4.504 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)C2CCCCC2)c(-c2ccc(Cl)cc2)n1 913973091 GOIHSDMNTFPZSM-UYRXBGFRSA-N 450.926 4.717 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(C)cc1 1084200037 UYTPEPNAELPMEN-XIEYBQDHSA-N 467.569 4.838 50 10 JJGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(F)cc1 1084348448 JBZFLELXTMYZLA-UHFFFAOYSA-N 469.900 4.546 50 10 JJGE O=C(NNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1ccccc1Cl 1115967748 ZGGQFNFRSDTBSJ-UHFFFAOYSA-N 450.857 4.635 50 10 JJGE C=CCC[C@H](C(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1)c1ccccc1 1142617563 RARHKXRTTREQMF-RRPNLBNLSA-N 453.586 4.511 50 10 JJGE CC(C)(C)c1ccc(OCCCC(=O)NN=Cc2ccc3c(c2)OCO3)c(Br)c1 1772756124 ZCLBKVVCQAKVBE-UHFFFAOYSA-N 461.356 4.785 50 10 JJGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865697222 XUTQLZYIKQKLMV-FQEVSTJZSA-N 483.341 4.709 50 10 JJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705981 LCGXBXCHAGFREX-SFHVURJKSA-N 456.289 4.868 50 10 JJGE COc1ccc(Br)cc1CN(C)C[C@@H](Br)COCc1ccccc1 1916367207 REBGZXVXIITNDN-GOSISDBHSA-N 457.206 4.870 50 10 JJGE O=C(N[C@H](CCBr)C(F)(F)F)c1c(Br)cccc1Br 1918520190 LIRBRUOBCFVXDG-MRVPVSSYSA-N 467.905 4.657 50 10 JJGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@H](Br)c1c(Cl)sc(Br)c1Cl 2054221300 ZLAXYJMGNGEUPT-OHKRPGQBSA-N 455.020 4.544 50 10 JJGE CN([C@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Cl)c1 2123270474 NGPXLAVTXSVVFQ-OALUTQOASA-N 458.805 4.603 50 10 JJGE CC1(C)[C@@H](Cl)CC[C@H]1NC(=O)c1ccc(I)c(Br)c1 2142125122 DLTHVYMKKKQMRM-NWDGAFQWSA-N 456.549 4.580 50 10 JJGE CN([C@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(Br)cc(CCl)c1F 2156442198 LYVROJGLXCMQQV-DLBZAZTESA-N 476.795 4.695 50 10 JJGE CC1(C)C[C@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)c(CBr)c2)CO1 2179792485 HAGNOECUTWGNDN-KRWDZBQOSA-N 472.832 4.993 50 10 JJGE CC(C)(C)OC(=O)N1CC[S@@](=O)(=NC[C@H](CBr)c2ccccc2)C(C)(C)C1 2189324579 FWNNMANZYRLHHV-SOKVYYICSA-N 459.450 4.662 50 10 JJGE C[C@H](Cl)C12CCC(CC1)N2C(=O)c1ccc(Br)cc1I 2207264678 IKJWLFZPGAODFK-IEBVAXJPSA-N 468.560 4.818 50 10 JJGE CSCC[C@@H](Br)CCNC(=O)c1ccc(Cl)c(I)c1 2268349076 ZIPAZKPGSUWHOW-JTQLQIEISA-N 476.605 4.581 50 10 JJGE CCCc1ncc2nc(CCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2n1 2286664135 MSEBPVUUDNKXOU-UHFFFAOYSA-N 476.024 4.989 50 10 JJGE COc1cc(C=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(OC)c1OC(C)=O 2296764738 HZZOSFQCZDFUHM-UHFFFAOYSA-N 451.460 4.725 50 10 JJGE FC1(F)C[C@H](CBr)N(Cc2ccc(Cl)cc2I)C1 2318537495 FQIMKZROAMICQO-SNVBAGLBSA-N 450.492 4.549 50 10 JJGE COc1ccc(C(=O)N[C@H](CCBr)COCc2ccccc2)cc1Br 2320357977 HWUHIWQTJZKBRZ-MRXNPFEDSA-N 471.189 4.558 50 10 JJGE CC1(C)C[C@@H](Br)CCN1C(=O)c1ccc(Cl)cc1I 2340067065 XODCBMXMBHRGFK-VIFPVBQESA-N 456.549 4.723 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@H]2CC[C@@H](Br)[C@@H]1C2 2355761148 PSPYFIHPCSIMLV-IUPBHXKESA-N 466.011 4.990 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1C[C@H]2CCC[C@@]2(CBr)C1 2365596629 AMDSHCKZEXXAPK-MEBBXXQBSA-N 468.560 4.582 50 10 JJGE O=C(N[C@H]1C[C@@H](CBr)C12CCC2)c1c(Br)cccc1Br 2379719960 NWRNLBIZPABBAN-CABZTGNLSA-N 466.011 4.895 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)Nc2ccc(Cl)cc2)c(Br)c1 12403490 PCTYWWMQTHDJMC-UHFFFAOYSA-N 454.752 4.632 50 10 JJGE O=C(/C=C/c1ccccc1Cl)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 13981365 YIOJDLGWHBFKMY-MDZDMXLPSA-N 450.372 4.557 50 10 JJGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 14037242 VHAJDGJCIKELJO-CQSZACIVSA-N 498.432 4.521 50 10 JJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 14665806 GQGYTMSPTDSQAK-LJQANCHMSA-N 473.573 4.773 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(\C#N)C(=O)NC2CCCCC2)cc1OC 23101021 ATZZRDAPNBWFER-PXLXIMEGSA-N 470.573 4.971 50 10 JJGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCC)c(OCC)c2)c(OCC)c1 33378387 IVIFNKLMFCUSLY-DRXPRRSGSA-N 479.529 4.972 50 10 JJGE COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2cccc(C)c2)nc2c(C)cccn2c1=O 39858633 VUDVPBAZLJJBTG-CYVLTUHYSA-N 466.497 4.658 50 10 JJGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)Nc1cccc(C)c1 39858833 LEFNXJUJCPSHQO-CYVLTUHYSA-N 466.497 4.658 50 10 JJGE Cc1c(C(=O)NCc2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812878 KIULWGBKEXJGCX-ZXVVBBHZSA-N 480.362 4.751 50 10 JJGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccccc3O)CCC4)c2n1 40826507 NWXYUXJXLFYMGS-VUTHCHCSSA-N 469.497 4.840 50 10 JJGE CCCN(CCC)c1ccc(C(=O)N/N=C2/C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 59151540 HXVNKXOAKHBISF-PBBVDAKRSA-N 499.571 4.902 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1 59151850 MTASQAHWJCRHJO-LQKURTRISA-N 460.530 4.790 50 10 JJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3cccc4ccccc34)C2=O)cc1OC 101233918 HSJRKNKHZZROOB-HAVVHWLPSA-N 467.525 4.604 50 10 JJGE O=[N+]([O-])c1ccccc1OC[C@H](CCl)S[C@@H](CCl)COc1ccccc1[N+](=O)[O-] 108447749 BXHGUOOIGDHIBR-KBPBESRZSA-N 461.323 4.909 50 10 JJGE O=C(NC[C@@H]1CCC[C@H]1CBr)c1cc(Br)c(Br)s1 126435823 AMNLVNBHNGXHOS-YUMQZZPRSA-N 460.029 4.814 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CCC[C@H]1CCCBr 232484479 MNCVNGQKTHNFPA-LLVKDONJSA-N 454.000 4.991 50 10 JJGE Cc1ccc(NC(=O)[C@@]23CC[C@@](C)([C@H]2Br)C3(C)C)cc1S(=O)(=O)N1CCCCC1 256020037 SPGQYJXUWMIBKA-BVYCBKJFSA-N 483.472 4.698 50 10 JJGE C[C@H](Cl)CC(C)(C)CNC(=O)c1ccc(I)c(Br)c1 721591036 BOYVIPHPUUVOQQ-VIFPVBQESA-N 458.565 4.827 50 10 JJGE COc1ccc([C@H](Br)c2cccc(F)c2I)cc1OC 721697640 MLJIGTZKTDPDDE-AWEZNQCLSA-N 451.073 4.932 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)NCc2c(Cl)cccc2Cl)c(-c2ccccc2)n1 914496447 APVHWIIMZHYFKA-SFQUDFHCSA-N 450.329 4.994 50 10 JJGE C[C@H](NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)c1cccc(OC(F)F)c1 918575685 HWBUJDDXMUXZNM-IZQLPPHKSA-N 461.472 4.850 50 10 JJGE CCOc1cc(/C=C(/C#N)c2nn(CCC#N)c(N)c2C#N)ccc1OCc1ccc(Cl)cc1 1081123560 PNHAUPZZAIGKQQ-UNOMPAQXSA-N 472.936 4.946 50 10 JJGE CCOc1ccc(C(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 1083976480 DEHDNQOXSAHBBK-UHFFFAOYSA-N 458.268 4.780 50 10 JJGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744833 KUINKNQOTRTGRN-HNNXBMFYSA-N 472.501 4.558 50 10 JJGE Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746426 FLEMJAVRGPNYTF-UHFFFAOYSA-N 485.313 4.607 50 10 JJGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccccn1)CCC2 1772747575 QRSPHRLMPAQMHK-UHFFFAOYSA-N 458.301 4.979 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1cccnc1 1865699980 HXQMLFQHRRLEMB-FQEVSTJZSA-N 470.330 4.915 50 10 JJGE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(C)cc3)sc2c1 1866127222 PAJVPWBYMZOLLY-XMHGGMMESA-N 478.599 4.513 50 10 JJGE CSCC[C@@H](NC(=O)c1cccc(-n2cccc2)c1)C(=O)Nc1ccc(SC#N)cc1 1866616071 QBWKQQUICCQBRZ-OAQYLSRUSA-N 450.589 4.541 50 10 JJGE ClCCc1nc2cc(I)ccc2n1CC1CC(Br)C1 1887928516 MEBHGFSYSGKUKE-UHFFFAOYSA-N 453.549 4.596 50 10 JJGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@H]1C[C@@H](Br)C1 1888778765 KVQFNJOMPZWUMW-SAHWJRBASA-N 485.422 4.936 50 10 JJGE Clc1ccc(I)cc1CC(CBr)CBr 1893661303 LSLMXCAFNOHPLH-UHFFFAOYSA-N 452.355 4.893 50 10 JJGE CC1(C)CC[C@@H](Br)[C@@H](CNC(=O)c2sccc2I)C1 1927041713 JRUFKHPULUEJHP-NXEZZACHSA-N 456.187 4.672 50 10 JJGE O=C(CBr)c1cc(C(F)(F)F)cc(OC(F)(F)F)c1I 2055162328 KILNJPHNPFMAAI-UHFFFAOYSA-N 476.936 4.786 50 10 JJGE O=C(c1scc(Br)c1Br)N1CC[C@H](CBr)C12CC2 2070108347 WGHKJKOPFHHOKI-SSDOTTSWSA-N 458.013 4.663 50 10 JJGE CC[C@H](Br)[C@H](CC)NC(=O)c1ccc(Br)cc1I 2086150450 BHICYCFKBPMJPC-JQWIXIFHSA-N 488.989 4.736 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@@H]1C[C@@H](Br)C2 2098690897 GZWIUCDQNXAODJ-RTCCRHLQSA-N 498.984 4.584 50 10 JJGE CN([C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CBr)s1 2123242924 CIONMHMWEJSQJJ-SJLPKXTDSA-N 458.443 4.647 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC2(CC[C@@H]1CBr)CC2 2154160864 KJQYRCAGQPYKRE-SNVBAGLBSA-N 466.011 4.991 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@H](CBr)CC2CC2)CC[C@H]1C(F)(F)F 2169163414 SHCUSIBAZJASPV-ARFHVFGLSA-N 457.375 4.823 50 10 JJGE O=C(NC[C@@H]1CCCC[C@@H](Br)C1)c1cc(I)ccc1F 2169664870 SZNCFCZGRUEPPH-GHMZBOCLSA-N 454.121 4.504 50 10 JJGE Cc1cc(S(=O)(=O)N2CCCC[C@@H](N(C)Cc3ccccc3)C2)sc1CBr 2179809214 QZZHKZFKBHJJIQ-GOSISDBHSA-N 471.486 4.627 50 10 JJGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@@H]1C 2179819288 KENLHFZPMXSRPT-BBWFWOEESA-N 471.486 4.623 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N[C@@]2(C)CCC[C@@H]2Br)cc1Br 2182703412 APZWKYWIXLNTFU-STQMWFEESA-N 490.055 4.504 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CC[C@@H](CBr)C12CCC2 2190362012 AFDAKRWZJMQZPT-JTQLQIEISA-N 468.560 4.724 50 10 JJGE Cc1cc(C(=O)N2CCCC(C)(C)[C@H]2CBr)ccc1I 2207097274 PGUMDONHHOQFKF-CQSZACIVSA-N 450.158 4.625 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(CCCCCI)C1 2214705373 RCGHJVQRZXLLFW-DLBZAZTESA-N 450.405 4.703 50 10 JJGE C[C@@H](Br)[C@@H]1CCCCN1C(=O)Cc1cc(Br)cc(Br)c1 2295317813 RLORLGPQRIECTK-YGRLFVJLSA-N 468.027 4.919 50 10 JJGE Cc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1 2297551603 UFWTUHYWLFMFQS-UHFFFAOYSA-N 472.413 4.576 50 10 JJGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(F)cc1Br 2303547204 QDJANJOMEVOBIV-HNNXBMFYSA-N 459.153 4.688 50 10 JJGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1C 2314593022 FYYWKNOJPUREBM-QHCPKHFHSA-N 475.545 4.778 50 10 JJGE CCCCCOc1ccc(C=NNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1OC 2328827637 LQJGKAHHPKJVAE-QFIPXVFZSA-N 483.609 4.850 50 10 JJGE ClCc1c(Cl)ncnc1OCc1cc(I)ccc1Br 2341781872 ZCFTZXFEUYPAIO-UHFFFAOYSA-N 473.923 4.815 50 10 JJGE C[C@@H](c1ccncc1F)[C@@H](Br)c1c(Br)c(Br)nn1C 2344693450 UKMJKIMTSGLYRA-IMTBSYHQSA-N 455.951 4.719 50 10 JJGE FC1(F)CCN(Cc2ccc(I)c(Br)c2)C[C@H]1CCl 2349830114 QLKPQSVBXKTBNA-SNVBAGLBSA-N 464.519 4.750 50 10 JJGE CCOc1ccc(C(=O)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1Br 14770489 FRMKLTHFEOZWSK-UHFFFAOYSA-N 469.335 4.502 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1OC 38658584 MBEKIJFVYJXEHD-HHHXNRCGSA-N 486.524 4.523 50 10 JJGE CC(C)c1ccc(Oc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])cc1 40611043 OXQYTCRJLBIXQF-UHFFFAOYSA-N 472.299 4.820 50 10 JJGE CCCn1ncnc1COc1c(Br)cc(CBr)cc1Br 233395422 MBCYRTIRJXMYRR-UHFFFAOYSA-N 467.987 4.687 50 10 JJGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2CC)ccc1O 254399303 TXSWNHIVAPZKMG-UHFFFAOYSA-N 481.622 4.609 50 10 JJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 254546395 SURKYFIKVAGAHE-UHFFFAOYSA-N 476.529 4.866 50 10 JJGE C[C@@H]1CCC[C@@](CBr)(NC(=O)c2ccc(F)cc2I)C1 300471661 JDPHELUPIXSUSW-MEBBXXQBSA-N 454.121 4.504 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](c2ccccc2Br)[C@@H](CI)C1 382692989 UUIOJVBBLMXDFL-AAEUAGOBSA-N 466.157 4.835 50 10 JJGE C[C@H]1CCCN(C(=O)c2cc(Cl)ccc2I)[C@H]1CBr 708478649 XGOJRXUGZQITPI-ZANVPECISA-N 456.549 4.580 50 10 JJGE O=C(c1scc(Br)c1Br)N1CCS[C@H](CCBr)C1 720022167 FHPRBCBSTGYYTC-SSDOTTSWSA-N 478.069 4.616 50 10 JJGE C[C@@H]1CN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)C[C@@H](C)O1 725238473 UENKHEZHXVCRBN-LPMFXHHGSA-N 474.932 4.716 50 10 JJGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(CCCc3ccccc3)cc2)cc1 1215067988 ZNAXIBZEXUBUCM-FQEVSTJZSA-N 459.546 4.685 50 10 JJGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(C)c2)CCC3)cc1 1772744766 IBKCDSPSLXPYNB-UHFFFAOYSA-N 473.529 4.796 50 10 JJGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1C(=NNC(=O)c1cccnc1)CCC2 1772746596 WVUGJNPFCZNXFD-UHFFFAOYSA-N 456.424 4.725 50 10 JJGE Cc1cc(OCC(=O)NN=Cc2ccc(Br)o2)c(C(C)C)cc1Br 1772753900 DUOZTOANVVXTEI-UHFFFAOYSA-N 458.150 4.766 50 10 JJGE Cc1ccc(O)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)c1 1865687653 XCPGTWKHYIDCFW-QHCPKHFHSA-N 452.489 4.970 50 10 JJGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)c1 1865689543 BSCQQVYDPBMDRU-OAQYLSRUSA-N 452.917 4.903 50 10 JJGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(OC)cc1 1865693949 SFMZHDKGKXMOPN-GOSISDBHSA-N 486.450 4.525 50 10 JJGE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696650 PKNMCSIPIVFGRP-IBGZPJMESA-N 471.742 4.580 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714075 CAPLACPLYDUGHD-QFIPXVFZSA-N 483.459 4.569 50 10 JJGE O=C(Oc1ccc2c(-c3cc4cc(Cl)ccc4oc3=O)cc(=O)oc2c1)C(Cl)Cl 1871385078 DVLNNBGHXARPNU-UHFFFAOYSA-N 451.645 4.929 50 10 JJGE C[C@H](c1ccc(I)cc1)[C@H](CBr)NC(=O)OC(C)(C)C 1882088185 PEHPUBDIOSRWGR-MFKMUULPSA-N 454.146 4.683 50 10 JJGE Cc1cc(S(=O)(=O)N(CCCBr)Cc2ccccc2)sc1Br 1914641381 BFTWFMGOYPEREN-UHFFFAOYSA-N 467.248 4.795 50 10 JJGE CC[C@@H](C)[C@H](CI)NCc1cc(Cl)ccc1I 2023042298 BEHJPBKORLDIEG-RNCFNFMXSA-N 477.555 4.884 50 10 JJGE CC(C)[C@@H](Br)CN(C)C(=O)c1ccc(I)c(Br)c1 2048723743 KKEKHCXTDJOKBG-NSHDSACASA-N 488.989 4.545 50 10 JJGE FC(F)(F)Oc1cc(CBr)cc(I)c1Br 2054809090 NMSAFLCCSFBHTC-UHFFFAOYSA-N 459.825 4.847 50 10 JJGE O=C(NC[C@]1(CBr)CC12CCC2)c1scc(Br)c1Br 2097900675 POWBGKRFMYEFQH-CYBMUJFWSA-N 472.040 4.958 50 10 JJGE Cc1nsc(CC(CBr)(CBr)c2ccc(Br)cc2)n1 2102673869 DWTIJBCOLDHZHW-UHFFFAOYSA-N 469.040 4.879 50 10 JJGE O=C(c1sccc1I)N1CCC[C@@H]2CC[C@@H](Br)C[C@@H]21 2110690157 MQFMXSVNPKFYJW-FOGDFJRCSA-N 454.171 4.521 50 10 JJGE C[C@H](NC(=O)c1ccc(I)c(Br)c1)[C@@H]1CCC[C@@H]1Cl 2111546657 MHIRIECHVZFSDO-PEXQALLHSA-N 456.549 4.580 50 10 JJGE CCn1cc(Br)c([C@H](Br)c2cc(Br)ccc2OC)n1 2124771626 ZZFACKCHALCVSP-GFCCVEGCSA-N 452.972 4.921 50 10 JJGE C[C@]1(CCBr)CCN(C(=O)c2cc(Br)cc(Br)c2)C1 2131898069 BKSSYYMWQPTGRN-AWEZNQCLSA-N 454.000 4.849 50 10 JJGE Cc1cc(CCl)cc(S(=O)(=O)N(C)[C@@H]2CC[C@H]2OCc2ccccc2)c1Br 2156443012 PEEUTRFNZYFTRT-QZTJIDSGSA-N 472.832 4.865 50 10 JJGE CCCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccsc1CBr 2179867941 CIGJWVWIXLARBY-UHFFFAOYSA-N 471.486 4.708 50 10 JJGE C[C@H](c1cscc1Br)N(C)S(=O)(=O)c1cc(CBr)cs1 2186582080 UGSDVLUUBWNWEI-MRVPVSSYSA-N 459.250 4.849 50 10 JJGE BrCCCOC1CCN(Cc2cc(Br)ccc2Br)CC1 2207536134 WDPGMIAHURJLGT-UHFFFAOYSA-N 470.043 4.978 50 10 JJGE O=S1(=O)CCCC[C@@H]1[C@H](Br)c1cc(Br)c(Br)cc1F 2225633823 LMSFIWYCMKNNMR-VXGBXAGGSA-N 479.003 4.754 50 10 JJGE CCN([C@H]1CCC[C@H]1Br)S(=O)(=O)c1cc(Br)ccc1Br 2232599648 HRNALIAXWANSSQ-PWSUYJOCSA-N 490.055 4.538 50 10 JJGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cccnc2)cc1 2293253076 UCKZIKXFDJMBTR-UHFFFAOYSA-N 475.980 4.502 50 10 JJGE C[C@H](NC(=O)C(C#N)=Cc1cc(Br)c(O)c(Br)c1)c1ccccc1 2297381652 GOWQUYHOIZMVTE-NSHDSACASA-N 450.130 4.702 50 10 JJGE CNC(=O)C(C#N)=C1S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(C)c(C)c1 2314594072 YPARLGAHLQWRCF-SFHVURJKSA-N 460.386 4.783 50 10 JJGE N#CC(=Cc1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1)c1ccccc1F 2320506276 GDTGHAYJNWEDNG-UHFFFAOYSA-N 454.457 4.872 50 10 JJGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)C=Cc1ccc([N+](=O)[O-])s1 2321178246 RVAYBRAOIYOMDO-UHFFFAOYSA-N 477.329 4.808 50 10 JJGE C=CC[C@@H](Br)[C@@H]1CCN1C(=O)c1ccc(I)c(Br)c1 2335818265 PZVGXVIHYYQBOW-MFKMUULPSA-N 498.984 4.608 50 10 JJGE O=S1(=O)CCc2cc([C@H](Cl)c3sc(Cl)cc3I)ccc21 2363889967 NAYMOOQEOMNHHB-LBPRGKRZSA-N 459.157 4.664 50 10 JJGE Cc1ccccc1C[C@@H]1S/C(=C(\C#N)C(=O)NCCc2ccccc2)N(c2ccc(F)cc2)C1=O 1888897 IRFNWHKFBUWFCT-CHTIKVTKSA-N 485.584 4.919 50 10 JJGE O=C(COc1ccccc1)N(/N=C/c1coc2ccccc2c1=O)c1nc2ccc(F)cc2s1 9149180 FISIBTJUOFGORX-UVHMKAGCSA-N 473.485 4.988 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(F)cc2)ccc1OC(=O)C1CCCCC1 20175836 SAGUSHRPQRTMAZ-KGENOOAVSA-N 450.510 4.933 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCc1cccc(Cl)c1 33332631 AUXPHWLTSWXJHN-XDHOZWIPSA-N 464.905 4.703 50 10 JJGE N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)NC[C@@H]1CCCO1 34718981 RLIKORMCIUSBMZ-DDYRAIOVSA-N 475.770 4.884 50 10 JJGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1OCC 38650564 STUGPVGFFAAYJV-VWLOTQADSA-N 456.498 4.921 50 10 JJGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(OC)c2)cc1 39858661 QBWXVEOEBXERLV-HKWRFOASSA-N 480.524 4.912 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)c(Cl)c(C)c1 40878084 NOGGLJCPEDWILK-YBFXNURJSA-N 494.931 4.766 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C(C)C)c(C)c1 40879832 QNNXEZYOGNLKFL-FYJGNVAPSA-N 488.540 4.928 50 10 JJGE COc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(Cc2ccc(F)cc2)C(=O)CCl)cc1OC 97914829 YARIMVPZKYVEIJ-PXSGXWBPSA-N 491.003 4.847 50 10 JJGE COc1cc(/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 101337364 LMJXIBPWSQMKKD-XZEIMLRBSA-N 492.959 4.699 50 10 JJGE O=c1[nH]c2ccc([C@@H](Br)c3cc(Cl)ccc3I)cc2[nH]1 236084519 NZGVXBMXMOWHKN-CYBMUJFWSA-N 463.500 4.599 50 10 JJGE O=C(NN=Cc1ccc(OC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1)c1ccccc1 254622056 CDNDPVFBXNZAQB-HSZRJFAPSA-N 463.537 4.998 50 10 JJGE CCc1ccc(NC(=O)C(=O)NN=C(C)CC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1 254758733 OUHJSVKKQFNWQD-UHFFFAOYSA-N 483.572 4.836 50 10 JJGE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)c3ccc(F)cc3)cc2OC)c1 732576986 HXHUQZUIABRFRB-VXLYETTFSA-N 461.445 4.861 50 10 JJGE CCCN(CCC)c1ccc(C(=O)NN=C2C(=O)N(Cc3ccccc3)c3ccccc32)cc1 1084333724 PZHWXFQVLZDNFR-UHFFFAOYSA-N 454.574 4.994 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)ccc1O 1865681060 DFGLYXNGUFTXRV-GOSISDBHSA-N 490.869 4.926 50 10 JJGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 1865709479 VVHFZDOMHUGEAV-QHCPKHFHSA-N 450.498 4.593 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CC[C@H](Br)C2(CC2)C1 2032260834 XHGUDCJRTZYXHY-VIFPVBQESA-N 458.013 4.663 50 10 JJGE CC[C@@H](Br)CN(CC)C(=O)c1cc(Br)ccc1I 2044550316 JMKMZRILQCBBRA-SECBINFHSA-N 488.989 4.689 50 10 JJGE CC1(C)C[C@H](CBr)N(C(=O)c2cc(Br)ccc2Br)C1 2094749029 GAGIHUALXWBSNS-SNVBAGLBSA-N 454.000 4.847 50 10 JJGE CC1(C)CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CCl)sc1Br 2103502572 PHYNWYJEKTZRHK-UHFFFAOYSA-N 477.877 4.535 50 10 JJGE C[C@@](CBr)(NC(=O)c1cc(Br)ccc1Br)C(F)(F)F 2105104927 PAYJPRZPBFLLBE-JTQLQIEISA-N 467.905 4.657 50 10 JJGE CC1(C)C[C@@H](Br)CCN1C(=O)c1cc(Br)ccc1Br 2113586383 NJTMMERNOODOKX-JTQLQIEISA-N 454.000 4.990 50 10 JJGE CCN(C[C@](C)(CI)OCCCN1CCCCCC1)C(=O)OC(C)(C)C 2119263677 KJLWKEVOBPSOSY-FQEVSTJZSA-N 482.447 4.720 50 10 JJGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1 2123200988 QAFKGOVEBUGUAD-UHFFFAOYSA-N 460.821 4.852 50 10 JJGE CC1(C)C[C@H](CBr)CN1C(=O)c1cc(Br)ccc1Br 2127823065 CMBWHLKTOIOMTN-SECBINFHSA-N 454.000 4.847 50 10 JJGE CC(C)(C)OC(=O)N[C@@H]1CN(C[C@H](CBr)c2ccccc2)C[C@H]1C(F)(F)F 2163058047 HHQWNHYPANCEDV-ARFHVFGLSA-N 451.327 4.553 50 10 JJGE C[C@H](c1cc(Br)cs1)N(C)S(=O)(=O)c1csc(CBr)c1 2186574542 XNBIVZMMUAHMES-MRVPVSSYSA-N 459.250 4.849 50 10 JJGE CC1(C[S@](C)(=O)=NC[C@H](CBr)c2ccccc2)CN(C(=O)OC(C)(C)C)C1 2192784581 JKKMRZAOOLNVMR-SOKVYYICSA-N 459.450 4.520 50 10 JJGE Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2CCBr)ccc1I 2207095120 BLVQGYIRVDRRMH-DOMZBBRYSA-N 450.158 4.673 50 10 JJGE Cc1ccc(C(=O)N[C@@H]2C[C@@H](Br)CC(C)(C)C2)cc1I 2232833004 JMUFMHRLTWTRGX-CHWSQXEVSA-N 450.158 4.672 50 10 JJGE O=C(NC[C@@H]1CCCC[C@@H](Br)C1)c1c(F)cccc1I 2282795513 VJCUCPLGCLCBDN-GHMZBOCLSA-N 454.121 4.504 50 10 JJGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cccc3ccccc23)cc1 2295523584 XSLZUONYBMGFIQ-UHFFFAOYSA-N 462.553 4.827 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccc(F)cc2)ccc1OC(=O)C1CCCCC1 2297616754 SAGUSHRPQRTMAZ-UHFFFAOYSA-N 450.510 4.933 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H]2CC[C@H](Br)[C@H]2C1 2308161673 WFPQZEKYDHXIOH-YEPSODPASA-N 458.013 4.519 50 10 JJGE O=C(N[C@@H](CBr)c1ccccc1)c1ccc(Cl)cc1I 2365589085 QWJRSNIFXNZSKA-AWEZNQCLSA-N 464.528 4.811 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1C[C@@H]2CCC[C@H](Br)[C@H]2C1 2365593505 ULYLLZDGLKCTGP-XDTLVQLUSA-N 468.560 4.580 50 10 JJGE CC(C)[C@H](CBr)N(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2367127114 RGHUGAUFEKTPQQ-NSHDSACASA-N 468.038 4.796 50 10 JJGE C=C(C)Cn1c(SCC(=O)N/N=C/c2cccs2)nnc1-c1ccc(Br)cc1 19825934 SCSKCOQUBLKBGX-UFFVCSGVSA-N 476.425 4.588 50 10 JJGE COc1ccc(C(=O)NNC(=O)CCCc2c(-c3ccccn3)[nH]c3ccc(Cl)cc23)cc1 39852761 BIXYCVBPWKOSJX-UHFFFAOYSA-N 462.937 4.676 50 10 JJGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813073 ZFPYWFQFSSPZOX-TURZUDJPSA-N 484.468 4.734 50 10 JJGE Cc1cccnc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813414 IFSDWBYNEYVUPO-JVWAILMASA-N 481.896 4.576 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(C)c(C)c1 40870063 VBPACCGZGDHPJY-OEAKJJBVSA-N 470.525 4.520 50 10 JJGE C/C(CC(=O)Nc1cc(Cl)ccc1C)=N\NC(=O)COc1ccc(Br)cc1C 100969682 XQCCZIWHTXOPLK-ZVHZXABRSA-N 466.763 4.619 50 10 JJGE CN(C(=O)c1ccc(I)c(Cl)c1)[C@@H]1CCCC[C@@H]1Br 232350714 JNTITNKZUDOKRM-GXFFZTMASA-N 456.549 4.723 50 10 JJGE O=C(c1cc(I)ccc1Br)N(CCCl)Cc1ccccc1 236024013 OCNIQVBAJATASC-UHFFFAOYSA-N 478.555 4.935 50 10 JJGE COc1ccccc1N[C@@H](C)C(=O)NN=Cc1ccccc1OCc1cccc(Br)c1 251524011 BPRUALHCBVHCOB-KRWDZBQOSA-N 482.378 4.987 50 10 JJGE aggregator CCCCOc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 254289001 CQYGOULZGDMRBT-UHFFFAOYSA-N 460.530 4.922 50 10 JJGE C=CCc1cccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)c1O 254395131 KVYKMJZPPQWNHK-UHFFFAOYSA-N 483.597 4.919 50 10 JJGE C=CCc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2CC)c1O 254617588 ZPHZJXJHJWCPAS-UHFFFAOYSA-N 477.634 4.939 50 10 JJGE COCCNC(=O)c1ccc(Cl)c(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1 727995694 AWDZJIMGNFKGIF-DEDYPNTBSA-N 494.954 4.809 50 10 JJGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 746186228 ZZZNOEINSOFOOA-UHFFFAOYSA-N 452.536 4.767 50 10 JJGE CCCCCC(=O)NC1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)CC1 748190173 DZIZVXYKYFTYHJ-MOHJPFBDSA-N 460.622 4.997 50 10 JJGE C[C@@H](NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 917700023 GIYKXTWDPHUOAU-BKAYVGFPSA-N 474.908 4.810 50 10 JJGE CC(=O)c1ccc(C(=O)NNc2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)cc1C 1349063872 KPCZWHFUSCMAHA-UHFFFAOYSA-N 450.560 4.911 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C1 1614618245 XOQOFNMUESPDIO-VXGBXAGGSA-N 466.703 4.634 50 10 JJGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(OCC)c1)C(C#N)=C(N)O2 1865681112 FHZJUAORFBYMAM-NRFANRHFSA-N 450.926 4.801 50 10 JJGE CCCCCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 1873795341 ZAHKZLPRYBQJGZ-MAIZJUNESA-N 453.583 4.842 50 10 JJGE O=C(C=Cc1ccc(I)o1)NN(Cc1ccccc1)Cc1ccccc1 1923846256 BIMGLWYRUCKXMS-UHFFFAOYSA-N 458.299 4.631 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC[C@]1(NC(=O)OC(C)(C)C)CCC[C@@H]2C[C@H]21 2010825917 SYQWLOLADAUPJR-DRSNIGMVSA-N 475.721 4.566 50 10 JJGE C[C@@H]1[C@@H](NCCSSCCNC(=O)OC(C)(C)C)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2010828107 AWQZVKSDLUROQV-ZJPYXAASSA-N 475.721 4.659 50 10 JJGE BrCC[C@H]1CN(Cc2ccc(Br)cc2Br)CCS1 2031426555 WRUUTOISOFIECX-LBPRGKRZSA-N 458.057 4.914 50 10 JJGE Clc1cc2c(c([C@@H](Br)c3cc(I)sn3)c1)OCC2 2056488730 YINGEGGNKOYIPP-LLVKDONJSA-N 456.530 4.820 50 10 JJGE CC[C@@H](C)[C@@H](CI)NC(=O)c1cc(Br)ccc1Br 2081235158 CEOKJRCJUADGKQ-PRHODGIISA-N 488.989 4.791 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2CC[C@@]1(CBr)C2 2089729074 YLPFZDGRNDZOGW-XPTSAGLGSA-N 451.984 4.601 50 10 JJGE C[C@]1(CBr)CCCCN1C(=O)c1c(Br)cccc1Br 2094090711 KCZHHQIKFYBARG-CQSZACIVSA-N 454.000 4.991 50 10 JJGE C[C@H]1CN(C(=O)c2c(Br)cccc2Br)C[C@]1(C)CBr 2094096496 YHDDEXDBPWFEEV-XPTSAGLGSA-N 454.000 4.705 50 10 JJGE COC[C@@H](C)OC[C@H](Br)CCc1ccc(Br)cc1Br 2099441056 HBYICCGCAUSSEP-ZWNOBZJWSA-N 459.016 4.959 50 10 JJGE O=S(=O)(c1ccc(CBr)cc1Cl)N(Cc1ccccc1)C[C@@H]1CCCO1 2123210884 QOOKMSSTJKZEJV-KRWDZBQOSA-N 458.805 4.605 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc([N+](=O)[O-])cc2)sc2c1CC[C@@H](CC)C2 2314571038 AUQUUHOKBPYENI-CQSZACIVSA-N 453.520 4.894 50 10 JJGE COc1cc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(C(C)(C)C)C3)n2)c(OC)cc1Cl 2331376861 DKUYXJBPDXBHMI-GFCCVEGCSA-N 461.971 4.920 50 10 JJGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1 14030868 JEEWRIVPSRDNDJ-UHFFFAOYSA-N 461.587 4.512 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@H]1c1cccs1 38656216 CFRHTVCAVOODRB-OAQYLSRUSA-N 483.343 4.713 50 10 JJGE Cc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823073 DPXRSHGIVVZVLU-OVVQPSECSA-N 481.350 4.777 50 10 JJGE CCOC(=O)c1c(NC(=O)N/N=C/c2ccc(OC)c(Br)c2)sc2c1CC[C@H](C)C2 40845451 YRFZWOIEXRLFRT-LITAXMHPSA-N 494.411 4.976 50 10 JJGE CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NCc4ccco4)c(=O)oc3c2)cc1 40884183 GZDNWZWSEKKSQV-DEDYPNTBSA-N 498.491 4.617 50 10 JJGE CCCCCCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(C)cc2C)cc1 100153625 VHZKVDICLBOPJQ-UHFFFAOYSA-N 453.583 4.833 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)NC2(CBr)CCCC2)cc1Br 136918987 JVRDWRHKHGLVKC-UHFFFAOYSA-N 490.055 4.506 50 10 JJGE O=C(NC[C@@H]1CCC[C@H](Br)C1)c1cc(Cl)ccc1I 227768353 SZFDKSQOODWWMJ-ZJUUUORDSA-N 456.549 4.628 50 10 JJGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc(C=NNC(=O)COc2ccc(Cl)cc2)cc1 245263943 BRVLTNUKQLZTLG-UHFFFAOYSA-N 487.339 4.815 50 10 JJGE C[C@]12CC[C@H](OC(=O)CBr)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O 504791312 NINRIIHMWQEVEA-MYDQNRJSSA-N 495.454 4.550 50 10 JJGE Cn1ncc([C@H](Br)c2ccc(F)c(Br)c2F)c1I 691542321 PTTROGMHWJMKFZ-MRVPVSSYSA-N 491.899 4.550 50 10 JJGE C[C@@H](Br)[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 719786349 JGAXQTXCPXIJDT-HTQZYQBOSA-N 466.022 4.550 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CCS[C@@H](CCBr)C1 719997599 AXOLESJQSLAJLE-ZETCQYMHSA-N 478.069 4.616 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)Cc3cccc4ccccc34)cc2)cc1 1084124465 GPZMQXMTHOHYKN-UHFFFAOYSA-N 458.539 4.609 50 10 JJGE CCOc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)cc1OCC 1614621196 HKYJUBKDQAGSIS-JKSUJKDBSA-N 475.367 4.870 50 10 JJGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccncc3)CCC4)c2n1 1772746104 QQUNFGFKZLZPNG-UHFFFAOYSA-N 454.486 4.529 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)ccc1O 1865681402 MPTKCKQRKSIULM-FQEVSTJZSA-N 484.478 4.890 50 10 JJGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865707972 KUYVMDQUOIPHQH-NRFANRHFSA-N 450.926 4.714 50 10 JJGE CCC[C@@H](NC(=O)c1cccc(N(CCC)CCC)n1)C(=O)Nc1ccc(SC#N)cc1 1866601935 CRSXXPZXWOJGCC-HXUWFJFHSA-N 453.612 4.818 50 10 JJGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(CCl)cc1Br 1915480851 SMWUUDSSVOYAMG-UHFFFAOYSA-N 460.821 4.804 50 10 JJGE Cc1nc(I)c(I)n1-c1cc(Cl)ccc1CCl 1941550069 CBNKLBOWPZHVDO-UHFFFAOYSA-N 492.913 4.782 50 10 JJGE Cn1ncc([C@@H](Cl)c2ccc(Br)cc2Br)c1I 2024295590 SIZRKABVWRPBOT-JTQLQIEISA-N 490.364 4.878 50 10 JJGE CC(C)[C@@H](Br)CCNC(=O)c1ccc(I)c(Br)c1 2029928985 WRMYNZSVNKNOHD-JTQLQIEISA-N 488.989 4.593 50 10 JJGE C[C@H](NC(=O)c1cccc(Br)c1Br)[C@@H]1CCC[C@@H]1Br 2111554370 HDUODZPFDCINIR-QXEWZRGKSA-N 454.000 4.894 50 10 JJGE O=S1(=O)C[C@@H]2CCC[C@@]2([C@@H](Br)c2ccc(Br)cc2Br)C1 2203687079 PAQFJXAGBKEMJA-QCZZGDTMSA-N 487.051 4.863 50 10 JJGE CN(C(=O)c1cc(Cl)ccc1I)[C@@H](CBr)CC1CC1 2226161739 XLUIVNFGNSJCAE-LLVKDONJSA-N 456.549 4.580 50 10 JJGE CCCN(C[C@H](C)Br)c1ncc(C(F)(F)F)cc1I 2272326338 GNSLMNPDCFKNAK-QMMMGPOBSA-N 451.068 4.705 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@]2(CC[C@](C)(CI)O2)[C@H]1C(F)(F)F 2303934660 HFAOQPHGMNQIIX-GLQYFDAESA-N 463.278 4.691 50 10 JJGE CCc1ccc(N(C(=O)C(C#N)=Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 2314777749 SIYUYKCQIWATNF-UHFFFAOYSA-N 460.555 4.895 50 10 JJGE N#CC(=Cc1cccc(OC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1)c1ccccc1F 2320511497 YRECQMOTYAPYTK-UHFFFAOYSA-N 476.529 4.894 50 10 JJGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1cc(Cl)cc(Cl)c1O 12583772 APTDOWXANXGOBW-CGOBSMCZSA-N 496.970 4.753 50 10 JJGE N#C/C(=C/c1c(N2CCC(Cc3ccccc3)CC2)nc2ccccn2c1=O)C(=O)NC1CCCCC1 35124054 PUAPUMPASCOCJD-GFMRDNFCSA-N 495.627 4.509 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccco2)CCC3)c(Br)c1 40814497 UMICKWGGRIQFDV-PCLIKHOPSA-N 470.323 4.975 50 10 JJGE CCOc1c(Br)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1Br 58889144 YLHLXUVGFGABMK-SLCIXIPPSA-N 484.188 4.574 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1 206406979 JYVITEXWZKYHDK-HAHDFKILSA-N 470.525 4.778 50 10 JJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)cc1C 214204073 SWAQJGXPDHDHPN-HAHDFKILSA-N 464.525 4.635 50 10 JJGE O=C(CNC(=O)c1cccc2ccccc12)NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1 254400186 QDKBLZCTBVWYEM-UHFFFAOYSA-N 473.536 4.573 50 10 JJGE Cc1ccccc1-n1c(SCC(=O)NN=C/C=C/c2ccccc2)nc2ccccc2c1=O 254413559 UUCMMQKRQPZCSP-QMYYMAAUSA-N 454.555 4.602 50 10 JJGE ClCCc1nc2cc(I)ccc2n1[C@@H]1CCN(Cc2ccccc2)C1 385145439 PIQPRYRHYFKUCF-QGZVFWFLSA-N 465.766 4.869 50 10 JJGE O=C(N[C@H](CBr)C1CCCC1)c1cc(Cl)ccc1I 395420639 GSYKKPYUFKESMR-CYBMUJFWSA-N 456.549 4.628 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2CCC[C@@H](Br)C2)cc1Br 694497416 PSIFGHGGPPLWFK-ZJUUUORDSA-N 490.055 4.504 50 10 JJGE Oc1nc2cc([C@@H](Br)c3occc3Br)c(Br)cc2[nH]1 696526577 DKZUSYAALTUWCE-SNVBAGLBSA-N 450.912 4.871 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CCCC[C@@H](CCl)C1 711330231 OYGHFLWJBRYWGX-JTQLQIEISA-N 456.549 4.535 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCC(COc3ccccc3)CC2)c(-c2ccccc2)n1 729430895 GARGRCYZAXIWMW-HKOYGPOVSA-N 465.557 4.688 50 10 JJGE COc1cc(C=NNC(=O)c2cccs2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1084576636 KDHYOYQMBATKOR-UHFFFAOYSA-N 490.335 4.770 50 10 JJGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(N(C)C)cc1)C(C#N)=C(N)O2 1865683568 MRKWXYLEKCKYPJ-NRFANRHFSA-N 451.933 4.570 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)cc1OC 1865695985 WDGUDRQPAIPMDM-OAQYLSRUSA-N 495.377 4.823 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865698997 IBPNAQWCCAQOMF-OAQYLSRUSA-N 457.921 4.758 50 10 JJGE Cc1cc(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)ccc1N(C)C 1865759064 GBJMYJGSMYZTNH-UHFFFAOYSA-N 457.361 4.813 50 10 JJGE CN(C[C@H]1CCC[C@@H]1Br)C(=O)c1csc(Br)c1Br 2032955725 DNXRGRVTDWSBMK-APPZFPTMSA-N 460.029 4.909 50 10 JJGE CC1(C)CC[C@@H](CBr)N1C(=O)c1cc(Br)ccc1Br 2140850565 KOQKCNNYHNSNOO-JTQLQIEISA-N 454.000 4.990 50 10 JJGE CC1(C)[C@@H](Br)CC[C@H]1NC(=O)c1c(Br)cccc1Br 2142125301 DRJJIKXWNZLDGE-WDEREUQCSA-N 454.000 4.894 50 10 JJGE CC(C)(CBr)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1I 2155826892 ZEWQFMZKZXPAMP-ZDUSSCGKSA-N 470.576 4.970 50 10 JJGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)[C@H]2COC(C)(C)C2)ccc1CBr 2179789594 SLMDHLMOTQIJPB-LJQANCHMSA-N 452.414 4.648 50 10 JJGE Cn1ncc(-n2c(CCl)nc3cc(Br)c(Br)cc32)c1Br 2234071806 GHOPNCBFLIYTJF-UHFFFAOYSA-N 483.389 4.785 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H](Br)CC12CCC2 2295310070 RPRQHVJTDJNKRQ-ZDUSSCGKSA-N 466.011 4.673 50 10 JJGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1ccc(C(=O)OC)cc1 2297491217 ZIGFSOGWGCINCA-UHFFFAOYSA-N 460.511 4.924 50 10 JJGE COc1ccc(CCN2C(=O)C(=CNc3ccc4ccccc4c3)C(C)=C(C#N)C2=O)cc1OC 2314579385 RKDYXYFVLUMXAC-UHFFFAOYSA-N 467.525 4.604 50 10 JJGE CCCCCOc1ccc(C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OC 2314617254 UULNMMUSNUCUGK-UHFFFAOYSA-N 488.540 4.785 50 10 JJGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(F)c(Br)cc1F 2320361120 LQFOYYSNIHDFFV-ZDUSSCGKSA-N 477.143 4.828 50 10 JJGE BrC[C@H]1[C@H]2CC[C@@H](C2)N1Cc1ccc(I)c(Br)c1 2325207424 BOIFXMAUCUMMLG-MJVIPROJSA-N 485.001 4.802 50 10 JJGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(C(C)(C)C)c(Br)c2)c(C)c1 12492689 ASDWGVCKJJFZCU-UHFFFAOYSA-N 474.399 4.543 50 10 JJGE COc1ccccc1NS(=O)(=O)c1cc(C(=O)N/N=C(/C)c2ccc(C)c(C)c2)ccc1Cl 33480466 CFRJCTGVIGXRIT-ONUIUJJFSA-N 485.993 4.920 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2OC)cc1 38656908 CBVHDVCDBSCSIU-VWLOTQADSA-N 472.497 4.540 50 10 JJGE COc1cc(/C=N/NC(=O)COc2ccc3ccccc3c2)ccc1OCCc1ccccc1 40888759 NNUKIAPTAAMZIU-VUTHCHCSSA-N 454.526 4.999 50 10 JJGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 101334669 RTNKEUITNQECAG-YDZHTSKRSA-N 481.512 4.696 50 10 JJGE C[C@@H](Br)C(C)(C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 145749521 ZYBIDYIYODRRPM-ZCFIWIBFSA-N 454.011 4.596 50 10 JJGE CC(=O)Oc1cc2c(s1)CCN([C@@H](C(=O)CCCBr)c1ccccc1F)C2 148044440 FJECXOBZPLRIGL-HXUWFJFHSA-N 454.361 4.656 50 10 JJGE COc1cc(/C=N\NC(=O)Nc2cccc(Cl)c2)cc([N+](=O)[O-])c1OCc1ccccc1 169939532 IAEHGXFKFPKEFO-CFRMEGHHSA-N 454.870 4.991 50 10 JJGE CC(C)(CCCCl)CNC(=O)c1cc(Br)ccc1I 227916272 GIXNGTNKKUMXIS-UHFFFAOYSA-N 458.565 4.829 50 10 JJGE COc1cc(C=NNC(=O)c2ccc(Cl)c(Cl)c2)ccc1OS(=O)(=O)c1ccccc1 252622048 NNMGMCUYZKLTTA-UHFFFAOYSA-N 479.341 4.534 50 10 JJGE COc1ccc(OC)c(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C/C(C)=C\c2ccccc2)c1 254568169 YMTRVZUKTUDCSG-UDICECBOSA-N 469.541 4.680 50 10 JJGE CCOc1ccccc1C=NNC(=O)CSc1nnc(SCc2ccc(C)cc2)s1 254628239 AMOIHLYDDPZLPL-UHFFFAOYSA-N 458.634 4.780 50 10 JJGE O=C(N[C@@H]1CCC[C@H](CBr)C1)c1cc(Cl)ccc1I 311582433 IKJZCYBZYLNGOP-GXSJLCMTSA-N 456.549 4.628 50 10 JJGE Cn1ncc([C@@H](Br)c2cc(Cl)c(Br)s2)c1I 393884011 ZDHHWSFYEJTHLX-SSDOTTSWSA-N 496.393 4.986 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H]2C[C@H](Br)CC[C@H]2C1 398851787 STYQWVVLKYDJNN-DJLDLDEBSA-N 472.040 4.909 50 10 JJGE CN1/C(=C\C=NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)C(C)(C)c2ccccc21 606347266 YRQBGYUIMJSJHH-CLDDIGBZSA-N 480.615 4.576 50 10 JJGE O=C(NC1(CCBr)CCCC1)c1ccc(I)c(Cl)c1 687278968 ZCLZZUOONHWJHN-UHFFFAOYSA-N 456.549 4.772 50 10 JJGE C[C@@H](Cl)[C@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 721508916 JFZHEBYEZBQFGE-NOZJJQNGSA-N 456.549 4.676 50 10 JJGE O=C(COc1ccccc1)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1084299577 UOPSLXYPQLQTEG-UHFFFAOYSA-N 461.521 4.722 50 10 JJGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772747959 MIYIUXSVYWEMBK-UHFFFAOYSA-N 495.535 4.870 50 10 JJGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)c1cncc(Br)c1)CCC2)c1ccccc1 1772748390 WTMKQRXRAIKKKW-UHFFFAOYSA-N 495.377 4.883 50 10 JJGE N#CSc1ccc(NC(=O)c2ccnc(NC(=O)c3ccc(Br)cc3)c2)cc1 1860502045 JOPWAVWDSDGCID-UHFFFAOYSA-N 453.321 4.922 50 10 JJGE COc1cc(/C=N\NC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)cc(Br)c1O 1865761981 GYQGOCZKWSYDRW-MYKKPKGFSA-N 474.742 4.951 50 10 JJGE CCCCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCCOC)cc2)cc1 1866215179 GJCHQVLMMZDOFQ-RELWKKBWSA-N 450.535 4.995 50 10 JJGE N#C/C(=C\c1cc(Br)cc(Br)c1O)c1cc2c(cc1[N+](=O)[O-])OCCO2 1872728805 VHWYNFBRHGAQJW-XCVCLJGOSA-N 482.084 4.661 50 10 JJGE CCOC[C@H](Br)CCc1ccc(I)c(Br)c1 1904344188 RADNPLMCCZEGMN-SNVBAGLBSA-N 461.963 4.786 50 10 JJGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1cccc(F)c1I 1914232729 UTMSVSSOVFGXFK-GFCCVEGCSA-N 476.127 4.856 50 10 JJGE C[C@@H]1C[C@H](C(F)(F)F)N(C[C@@H](Br)C(F)(F)F)CCN1C(=O)OC(C)(C)C 2121770319 GTTYHNANVXCCDK-GMTAPVOTSA-N 457.253 4.574 50 10 JJGE CCn1cc(Br)c([C@H](Br)c2ccc(OC)c(Br)c2)n1 2124769516 SZFLQEWFDWHIKL-GFCCVEGCSA-N 452.972 4.921 50 10 JJGE CC1(C)[C@@H](NC(=O)c2c(Br)cccc2Br)CC[C@H]1Br 2142125299 DRJJIKXWNZLDGE-MNOVXSKESA-N 454.000 4.894 50 10 JJGE CC1(C)[C@@H](Cl)CC[C@@H]1NC(=O)c1cc(Br)ccc1I 2142127857 XFEODNKPSWEFGX-RYUDHWBXSA-N 456.549 4.580 50 10 JJGE CC1(C)OCCC[C@H]1[C@@H](Br)c1cc(I)cc2c1OCC2 2187009759 JRYAVFAELNQYIG-KBPBESRZSA-N 451.142 4.867 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](CCl)C12CCC2 2207265479 RMUXCEIHOFUOBA-JTQLQIEISA-N 468.560 4.677 50 10 JJGE O=C(NC[C@]12CCC[C@@]1(CBr)C2)c1c(Br)cccc1Br 2208033215 NLMNNOQMCGGBKT-LSDHHAIUSA-N 466.011 4.897 50 10 JJGE BrC[C@]12CCCO[C@@H]1CN(Cc1c(Br)cccc1Br)C2 2239163752 RDTGIMDLTDCQRT-CABCVRRESA-N 468.027 4.588 50 10 JJGE CC(C)[C@H](Cl)C(=O)N1CCC(c2nc(-c3cccnc3)cc(=Nc3cccc(F)c3)[nH]2)CC1 2296578315 QTAXTRBONHUEQZ-QHCPKHFHSA-N 467.976 4.813 50 10 JJGE COc1ccc2nc(C(C#N)=Cc3cccc(OC)c3OCC(=O)Nc3ccc(F)cc3)[nH]c2c1 2297617377 CJRAQXUUDNETQC-UHFFFAOYSA-N 472.476 4.801 50 10 JJGE CC(C)[C@@H](CBr)N(C)C(=O)c1ccc(I)c(Br)c1 2318849377 PMHJSXKIOGTGGS-GFCCVEGCSA-N 488.989 4.545 50 10 JJGE C=CC[C@H](Br)[C@@H]1CCN1C(=O)c1ccc(Br)cc1I 2335805328 CZQUWBFPHLSQPW-AAEUAGOBSA-N 498.984 4.608 50 10 JJGE CC1CCC([C@@H](CBr)NC(=O)c2csc(I)c2)CC1 2351624519 SRTZWHMRTNBKRU-RTYFJBAXSA-N 456.187 4.672 50 10 JJGE CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCCc1ccccc1 32520569 MRXIACZMRZCYHZ-WPWMEQJKSA-N 474.586 4.826 50 10 JJGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1 38651819 PBNYEDWYEYFIEK-XMMPIXPASA-N 491.341 4.824 50 10 JJGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 38681449 ZUEWOEXPUDHJQN-DEOSSOPVSA-N 471.469 4.821 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1 38685688 PIXJFIVYCMMTRP-SANMLTNESA-N 456.498 4.596 50 10 JJGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1cccc(Cl)c1Cl 40778696 DPJAVGITFOSLHQ-UHFFFAOYSA-N 488.162 4.938 50 10 JJGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccn2)CCC3)cc(C)c1Cl 40814359 OWYQEVASKRHSHC-WPWMEQJKSA-N 451.910 4.943 50 10 JJGE O=C(N/N=C/c1ccccc1OCc1cccc(Br)c1)c1cccc(N2CCCC2=O)c1 59507806 WVAQOFCEWZERIN-JVWAILMASA-N 492.373 4.919 50 10 JJGE COc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)OCc2nnc(-c3ccccc3)o2)c1C 97654691 LNZVCFRUEDUPMG-STZFKDTASA-N 454.486 4.803 50 10 JJGE CC(C)(C)[C@@H](CCBr)NS(=O)(=O)c1cc(Cl)c(Br)s1 231186987 JOIKGJGJAPLKOT-MRVPVSSYSA-N 453.649 4.642 50 10 JJGE CC1CCC(CCl)(NC(=O)c2cc(Br)ccc2I)CC1 232829026 YVOBWEOWRUGJAU-UHFFFAOYSA-N 470.576 4.971 50 10 JJGE CCCCCOc1ccc(CN2C(=O)C(=NNC(=O)Cc3ccccc3)c3ccccc32)cc1 252475405 ZXTIQXPXVHFRIN-UHFFFAOYSA-N 455.558 4.865 50 10 JJGE CCC(=NNC(=O)COc1c(Br)cc(C)cc1Br)c1ccccc1 252604401 FZIZJXSYRFBOPC-UHFFFAOYSA-N 454.162 4.829 50 10 JJGE O=C(NN=Cc1ccc(Cl)cc1Cl)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 252611214 IHSRJZAGZHUYPR-VVWFLAEXSA-N 482.323 4.643 50 10 JJGE Cc1cccc(C)c1OCC(=O)NN=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1 254410864 ZNLJOWDKCADEQF-UHFFFAOYSA-N 481.346 4.814 50 10 JJGE C[C@H](Br)C[C@H]1CCCCCN1C(=O)c1ccccc1I 380310688 HZIRIDQEMVKUAU-QWHCGFSZSA-N 450.158 4.850 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cc(F)ccc2F)C1 382709547 WVUUJPDZRNEPHI-PBHICJAKSA-N 457.258 4.752 50 10 JJGE C[C@]12CC[C@@H](OC(=O)CBr)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O 504791314 NINRIIHMWQEVEA-WEKWQQQWSA-N 495.454 4.550 50 10 JJGE O=C(c1scc(Br)c1Br)N1CCC[C@@H](CCBr)C1 705410943 VJPIWXNWEKXIRC-QMMMGPOBSA-N 460.029 4.910 50 10 JJGE Cc1ccc2nc(CCCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2n1 705781860 DOWINWNNRFKYFP-UHFFFAOYSA-N 461.009 4.992 50 10 JJGE CCC[C@@H](CCCl)CNC(=O)c1ccc(I)c(Br)c1 721616739 GOBOIGPCOSKQRX-JTQLQIEISA-N 458.565 4.829 50 10 JJGE CC(CC(=O)Nc1ccc(Nc2ccccc2)cc1)=NNC(=O)C(=O)Nc1cc(C)ccc1C 1083920254 AUKCILOOHDWRMQ-UHFFFAOYSA-N 457.534 4.506 50 10 JJGE O=C(NN=Cc1cc(Br)ccc1OCc1ccccc1)c1cccc([N+](=O)[O-])c1 1084099658 VQCBPYKTKWLYSN-UHFFFAOYSA-N 454.280 4.700 50 10 JJGE C=CCOc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1CC=C 1084329120 IFFUUPASPQSWCO-OAQYLSRUSA-N 457.368 4.706 50 10 JJGE O=C(CSc1ccc(Cl)cc1)NN=Cc1cc(Br)c(O)c(Br)c1 1084340432 NQBGIPYZGVFWID-UHFFFAOYSA-N 478.593 4.813 50 10 JJGE C#CCOc1cc(F)ccc1NC(=O)NNc1c(Br)cccc1Br 1201314686 PHWYUJRPJIRVIN-UHFFFAOYSA-N 457.097 4.511 50 10 JJGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(O)cc1)CCC2 1772744224 BJLVBCALJPSTPO-UHFFFAOYSA-N 467.909 4.678 50 10 JJGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1ccccc1Cl 1865694501 YOVDNJRUNHBLGO-QFIPXVFZSA-N 464.953 4.909 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(OC)c1)C(C#N)=C(N)O2 1865706079 MYFWHRLWHCIGOV-OAQYLSRUSA-N 468.916 4.609 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865710422 XTWYOKXBPRFGCL-HSZRJFAPSA-N 497.486 4.872 50 10 JJGE CCOc1cc(C(=O)NNC(=O)c2ccc(-c3ccc(CC)cc3)nc2C)cc(OCC)c1OCC 1865758455 AZTXXLGETJSLKG-UHFFFAOYSA-N 491.588 4.890 50 10 JJGE N#C/C(=C(/O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(Cl)cc2)cs1 1872748161 LDOLDJLMMRELEO-SDXDJHTJSA-N 480.889 4.851 50 10 JJGE C[C@@H]1CC[C@@](CBr)(NC(=O)c2cc(Br)ccc2Br)C1 1880940107 TZJMYCPGZXLCLC-YMTOWFKASA-N 454.000 4.895 50 10 JJGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1cccc(F)c1I 1914654281 FAUZPEYFEBJRAP-LBPRGKRZSA-N 476.127 4.856 50 10 JJGE CCN(C[C@](C)(CI)OC[C@H]1C[C@H]1C1CCC1)C(=O)OC(C)(C)C 2022600325 XWQSXRZPBXWNCO-GJYPPUQNSA-N 451.389 4.890 50 10 JJGE CC[C@H](C)[C@H](CI)NCc1cc(Cl)ccc1I 2023042303 BEHJPBKORLDIEG-ZANVPECISA-N 477.555 4.884 50 10 JJGE O=C(NC[C@H]1CCC[C@H](Br)C1)c1csc(Br)c1Br 2032953286 GMRFFVATXXYNBC-YUMQZZPRSA-N 460.029 4.957 50 10 JJGE FC(F)(F)Oc1cc(I)c(I)cc1CCl 2060236809 XNVYHTNEJGAVCU-UHFFFAOYSA-N 462.374 4.533 50 10 JJGE BrCCC[C@H]1CCCCN1c1ncc(I)cc1Br 2085689462 AUNHUMMSLUMLHP-LLVKDONJSA-N 488.005 4.983 50 10 JJGE Cc1nn(C)c(CN(C)c2ccc(Br)cc2CBr)c1Br 2192430308 CMXXHMDBRVLEIZ-UHFFFAOYSA-N 466.015 4.785 50 10 JJGE O=C(NC[C@@]1(CCl)C[C@H]1C(F)(F)F)c1csc(Br)c1Br 2192581106 JQIDMQIMFCEANX-LDWIPMOCSA-N 455.521 4.810 50 10 JJGE O=C(c1ccc(Br)cc1I)N1C[C@@H](Cl)CC2(CCC2)C1 2207265318 PMIBRILJPKWVGT-NSHDSACASA-N 468.560 4.677 50 10 JJGE C[C@@H]1C[C@H](Br)[C@@H](C)N(C(=O)c2cc(Cl)ccc2I)C1 2227595836 XJRGLPAOLTVRHI-LNLATYFQSA-N 456.549 4.579 50 10 JJGE Cc1ccc(C(=O)N[C@H]2C[C@@H](Br)CC(C)(C)C2)cc1I 2232833005 JMUFMHRLTWTRGX-OLZOCXBDSA-N 450.158 4.672 50 10 JJGE CC(C)(C)C1(O[C@@](C)(CI)c2ccccc2Br)COC1 2288562743 QHRXGVFHCAMHJW-HNNXBMFYSA-N 453.158 4.931 50 10 JJGE N#CC(=Cc1cn(CCOc2ccccc2F)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 2297552148 SMNWRMZMVMLKIA-UHFFFAOYSA-N 483.499 4.811 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1c(F)cccc1Cl 2313676785 FVXNSWAOSIFMNB-SFHVURJKSA-N 458.917 4.659 50 10 JJGE COc1cc(F)c([C@@H](Br)c2c(Br)ncn2C)cc1Br 2337317817 SPBNHAVQXGFCSK-SNVBAGLBSA-N 456.935 4.577 50 10 JJGE BrCCN(Cc1cccc(Br)c1Br)C1CCOCC1 2353644787 IBFIMIBLCPJQRK-UHFFFAOYSA-N 456.016 4.588 50 10 JJGE O=C(N[C@]1(CBr)C[C@H]2CC[C@H]1C2)c1ccc(Cl)cc1I 2365590070 BXQFXOFUDSLANI-YHAQOWFVSA-N 468.560 4.628 50 10 JJGE O=C(NN=Cc1c[nH]c2ccccc12)c1ccc(NC(=O)c2ccccc2Br)cc1 3084696 BLJAQEDXALSJGI-UHFFFAOYSA-N 461.319 4.947 50 10 JJGE Cc1cc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCC(C)C)cc(C)c1Cl 14666886 ABVHALVKKPJWMB-UHFFFAOYSA-N 483.790 4.594 50 10 JJGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccccc3F)ccc21 38650516 GBRUOEXUXJISPY-LMKMVOKYSA-N 474.488 4.815 50 10 JJGE COC(=O)c1ccc2ccccc2c1OC(=O)[C@@]12CC[C@@](C)(C(=O)[C@H]1Br)C2(C)C 39753040 KUSAQVIMFQELHB-MQNAVGNWSA-N 459.336 4.691 50 10 JJGE COc1ccc([C@@H](C(=O)NC2CCCCCC2)N(CCc2ccccc2)C(=O)CCl)cc1 97915016 ZRBLCBOROREJLB-VWLOTQADSA-N 457.014 4.885 50 10 JJGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OCc2ccccc2)c(OC)c1 254753055 GIHBKLQCXIGQSY-UHFFFAOYSA-N 467.610 4.981 50 10 JJGE CC1(C)OB(c2cc(CBr)c(Br)cc2CBr)OC1(C)C 306346546 PVKAZVUJYHNEEI-UHFFFAOYSA-N 468.820 4.538 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(Br)nc2)[C@@H](CBr)C1 382699011 BVBHNMXDVBYUFN-JKSUJKDBSA-N 454.162 4.591 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2cc(O)ccc2Br)C1 394761807 WYXZWVHNLOTXOU-GXFFZTMASA-N 482.156 4.540 50 10 JJGE FC(F)(F)Oc1cc(I)c(CBr)cc1Br 575692491 XBIVYOJYDZYTGI-UHFFFAOYSA-N 459.825 4.847 50 10 JJGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(Br)ccc1Br 686180554 UTWPLGKPICETKZ-KNJXUWEQSA-N 466.011 4.988 50 10 JJGE C[C@H](Br)[C@H]1CCCCN1C(=O)c1cc(Br)ccc1Br 688778023 QXOHBBIWASQVRX-TVQRCGJNSA-N 454.000 4.990 50 10 JJGE COCc1cc(Br)c([C@@H](Br)c2cn(C)c(Br)n2)s1 710838691 LGEVNVGURQXMRS-VIFPVBQESA-N 459.001 4.637 50 10 JJGE CC(C)(C)[C@H](CBr)NC(=O)c1ccc(I)c(Br)c1 721580168 UAWBSFHESUPNBS-NSHDSACASA-N 488.989 4.593 50 10 JJGE Cc1ccc(NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c(C)c1 729344319 FDWPOVBOVIROCZ-QCBCRBAMSA-N 467.529 4.558 50 10 JJGE COc1cc(Cl)c(C=NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1OC 1084242451 TUMPOFNONQUXOX-UHFFFAOYSA-N 451.910 4.682 50 10 JJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CSc3nc4ccccc4s3)cc2)cc1 1084404440 WSWOHEXNABYMGA-UHFFFAOYSA-N 477.567 4.767 50 10 JJGE O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccccc1F 1084568195 ZRMQAHLFEMKWTD-UHFFFAOYSA-N 460.292 4.800 50 10 JJGE CC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)c3ccc(Br)cc3)cc2)cc1 1349365196 RUAPPCOKFUNPJN-UHFFFAOYSA-N 453.292 4.519 50 10 JJGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745444 ZRYDMWBBUUGESG-UHFFFAOYSA-N 476.489 4.536 50 10 JJGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)N5CCCCC5)c(C)c43)coc2c1C 1772751988 QTIMCMPLIOFSLB-UHFFFAOYSA-N 461.562 4.976 50 10 JJGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1Cl 1858684801 SPFPZQUOTNLUAX-UHFFFAOYSA-N 477.260 4.925 50 10 JJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1 1865708661 CANKNKNXJLSQNM-QHCPKHFHSA-N 480.499 4.742 50 10 JJGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cc(C)ccc1C 1865709723 FIPCUEXGIPXJKE-IBGZPJMESA-N 454.452 4.794 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865712822 IZLCJWRZQIVDLV-JOCHJYFZSA-N 465.469 4.674 50 10 JJGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)CNS(=O)(=O)c2ccc(C)cc2)n1 1872759484 PXCIPPXBIAQXIR-ZPHPHTNESA-N 475.979 4.552 50 10 JJGE COC(=O)c1c(NC(=O)CCCCCNC(=O)c2ccccc2)sc(/C(C)=C/C#N)c1C 1873427827 CUFGLYOHHSEPCN-DTQAZKPQSA-N 453.564 4.699 50 10 JJGE O=S1(=O)CCC[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924608590 KOQLHEIRBDHISD-MHTLYPKNSA-N 487.460 4.893 50 10 JJGE ClCc1nc2cc(I)ccc2n1-c1csnc1Br 1926853836 GIDKQBQVFUHKEU-UHFFFAOYSA-N 454.518 4.588 50 10 JJGE O=P(OCCCl)(OCCCl)O[P@](=O)(OCCCl)OC1(CCl)CCOCC1 1933258277 FHNLXVHPLGLRMR-AREMUKBSSA-N 498.060 4.790 50 10 JJGE CN(C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)C(C)(C)C)C(=O)OC(C)(C)C 1985350105 LOLSGPJFHHCLFM-MRXNPFEDSA-N 465.726 4.764 50 10 JJGE O=C(N[C@@H](CBr)C1CCCC1)c1c(Br)cccc1Br 2094090302 GGENMXWOYUEIGD-LBPRGKRZSA-N 454.000 4.895 50 10 JJGE C[C@H]1CC[C@H](CBr)N(C(=O)c2ccc(I)c(Cl)c2)C1 2110615194 DLIXWAMUZPOZHZ-GXSJLCMTSA-N 456.549 4.580 50 10 JJGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2I)[C@H](C)C[C@@H]1Cl 2142279826 VPEBTCMRQLLPOH-LNLATYFQSA-N 456.549 4.532 50 10 JJGE CCCN1CCC[C@H]([C@H](Cl)c2csc(Br)c2Br)S1(=O)=O 2150342038 OYKHYQZKKCRJEQ-MWLCHTKSSA-N 465.660 4.757 50 10 JJGE Cc1cccc(C(=O)N(C)[C@@H]2CCCCC[C@H]2Br)c1I 2172548839 WWVVYEPNNUUICR-ZIAGYGMSSA-N 450.158 4.768 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1cc(Cl)ccc1I 2204560878 CQHGJHZOBGMIFI-VWBVRBGYSA-N 468.560 4.627 50 10 JJGE C[C@H]1[C@@H](Br)C[C@@H](C)CN1C(=O)c1c(Br)cccc1Br 2227598472 IDJPCFZALKNYHL-PTRXPTGYSA-N 454.000 4.846 50 10 JJGE Cc1c(Br)cccc1CO[C@](C)(CBr)CNC(=O)OC(C)(C)C 2243594429 RSYXXLOYZKUBHA-QGZVFWFLSA-N 451.199 4.952 50 10 JJGE CC1CC(CBr)(CN=[S@](=O)(CCNC(=O)OC(C)(C)C)c2ccccc2)C1 2280055848 UPURYCKSSUWABL-UTLHQLMOSA-N 459.450 4.849 50 10 JJGE CCCC(CBr)(CCC)CN(CCCN(C)C)CCNC(=O)OC(C)(C)C 2280548634 MWCUDKMJSQYQFR-UHFFFAOYSA-N 450.506 4.746 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OCCOCCOc1cccc(C)c1 2293358569 MWPYBAGASINCMR-UHFFFAOYSA-N 490.556 4.685 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Br)o2)sc2c1CC[C@@H](C)C2 2296817768 OQTXCCDZQXOSFT-LLVKDONJSA-N 463.353 4.951 50 10 JJGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)NC)cc1 2314593798 TXBOTLPEKQHQKX-GOSISDBHSA-N 460.386 4.728 50 10 JJGE FC(F)(F)[C@H]1C[C@@H](Br)CCN1Cc1sccc1I 2316764820 QLZFGVDRDQMGIJ-OIBJUYFYSA-N 454.093 4.643 50 10 JJGE CC(C)(CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1I)Cc1ccccc1 2316845403 KXRNCEKVZVPWIN-SJORKVTESA-N 459.368 4.695 50 10 JJGE CC(C)(C)OC(=O)N1CC[S@](=O)(=NC[C@](C)(CBr)C(C)(C)C)C(C)(C)C1 2352090217 SGIWHLDTCPVGES-AFMDSPMNSA-N 453.487 4.931 50 10 JJGE Brc1ccc([C@@H](CI)O[C@@H]2CCN3CCC[C@@H]3C2)cc1 2357583649 NWGFEUSTPIZEFI-BZUAXINKSA-N 450.158 4.569 50 10 JJGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1 1888884 JBQYEPRZZRBGLB-BSSRNLCFSA-N 471.557 4.611 50 10 JJGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)cc1 33423989 OMFCESWLSSACLR-ICFOKQHNSA-N 470.460 4.570 50 10 JJGE COc1ccc(N(C(=O)/C(C#N)=C/c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1Cl 40977776 NBDDHBMVHYJPQO-XMHGGMMESA-N 496.972 4.995 50 10 JJGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2)cc1 205641678 MRJWGPMESVSZMZ-SZOICLBVSA-N 454.482 4.541 50 10 JJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 263625854 MFEZDXPNGLEXIT-UHFFFAOYSA-N 469.453 4.740 50 10 JJGE CN(CCCn1c(CCCl)nc2cc(I)ccc21)Cc1ccccc1 305088804 RRISMAUNNYRCSK-UHFFFAOYSA-N 467.782 4.944 50 10 JJGE COc1cc(Cl)ccc1[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CI 382732601 VGUZNCNUOMYJFX-SMDDNHRTSA-N 451.732 4.734 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CCC(CCBr)CC1 401141011 SSPISSKNFLSKDA-UHFFFAOYSA-N 456.549 4.582 50 10 JJGE C[C@@H](Br)[C@H]1CCCCN1C(=O)c1ccc(Br)cc1Br 708463466 XGTHRRIWUZOHIH-NOZJJQNGSA-N 454.000 4.990 50 10 JJGE O=C(NNC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1cc(-c2ccco2)nc2ccccc12 727364398 VAPHITIKYBENKA-UHFFFAOYSA-N 497.580 4.782 50 10 JJGE C[C@@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(=O)N(C)c1ccccc1 782092069 BREZGLDYBNVCAE-KETZHDHUSA-N 487.947 4.619 50 10 JJGE COC(=O)C[C@@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C)c1cccs1 819808379 BONBRLQGJAQSDH-SARUNTBLSA-N 451.523 4.622 50 10 JJGE COc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc(OC)c1O 1084151315 CPNSAXSAXWQNAV-UHFFFAOYSA-N 475.545 4.723 50 10 JJGE O=C(CC(=NNC(=O)c1cccc(I)c1)c1ccccc1)c1ccccc1 1084284316 YHVUEYKKOJAMQS-UHFFFAOYSA-N 468.294 4.698 50 10 JJGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 1084362666 PQQDZJSAYHCWHY-QHCPKHFHSA-N 477.517 4.536 50 10 JJGE C#C[C@@H](NC(=O)NNc1cc(Cl)ccc1Br)c1ccc(Br)cc1 1252459350 QWZQNXYBPVMEQG-CQSZACIVSA-N 457.553 4.866 50 10 JJGE C#C[C@@H](NC(=O)NNc1ccc(Cl)c(Br)c1)c1ccc(Br)cc1 1636563137 SXDUTEIITSDKJL-OAHLLOKOSA-N 457.553 4.866 50 10 JJGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865693214 SVWPVSPWVYPSFL-DEOSSOPVSA-N 452.514 4.823 50 10 JJGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2CC(C)C 1865693430 OGNKXBMOBAKKNA-INIZCTEOSA-N 450.461 4.573 50 10 JJGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(Cl)cc1 1865694027 TXSFFVXILIQIIH-OAQYLSRUSA-N 450.926 4.850 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1OC 1865694773 BDAGPFUPTOITCK-QFIPXVFZSA-N 450.926 4.519 50 10 JJGE Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)[C@H](Cc1ccccc1)c1ccccc1 1865844874 BOXLLFVBSIUTAM-HSZRJFAPSA-N 455.583 4.830 50 10 JJGE Cc1[nH]nc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c1-c1ccccc1 1867275742 MNUSXWWUXKOYSF-HSZRJFAPSA-N 481.581 4.938 50 10 JJGE CCS(=O)(=O)C[C@H](Cl)c1c(Br)sc(Br)c1Br 1988336763 AMXUVHGYCLCQHT-BYPYZUCNSA-N 475.449 4.750 50 10 JJGE O=C(c1scc(Br)c1Br)N1[C@H]2CC[C@H]1[C@@H](CBr)C2 2039480319 MYMMFSWPASUKMG-FJXKBIBVSA-N 458.013 4.661 50 10 JJGE CC1(C)C[C@H](CBr)N(C(=O)c2cc(Br)cc(Br)c2)C1 2094750282 LJPYWFRCSMSRSN-GFCCVEGCSA-N 454.000 4.847 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CCC(F)(CBr)CC1 2101311866 KSDIZXZHPCPGBL-UHFFFAOYSA-N 457.963 4.551 50 10 JJGE O=S(=O)(N[C@@H]1CCCC[C@H]1CCBr)c1cc(Cl)c(Br)s1 2146733095 DJBQSVBWMCFOJU-WCBMZHEXSA-N 465.660 4.786 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 2150959543 WXNQIJIPEKWNCF-TVYUQYBPSA-N 466.011 4.847 50 10 JJGE O=C(NC[C@@]1(CBr)CC12CCC2)c1cc(Br)cc(Br)c1 2154206897 YKQZWSGFDJVNNJ-HNNXBMFYSA-N 466.011 4.897 50 10 JJGE CO[C@@H]1CCC[C@@H]([C@H](Br)c2cc(I)cc3c2OCC3)C1 2182759705 BLNJCZIGOXUEFI-YVLXSGLVSA-N 451.142 4.867 50 10 JJGE CC[C@H](C)[C@@H](CBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 2201195691 LVWGWOKUCMOAKW-QPUJVOFHSA-N 492.071 4.608 50 10 JJGE COc1cc(F)c([C@@H](Br)c2c(Br)nn(C)c2C)cc1Br 2202902833 WHOORUIWTIJMIX-GFCCVEGCSA-N 470.962 4.886 50 10 JJGE O=C(c1cc(I)ccc1Br)N1C[C@@H](Br)CCC12CC2 2227504127 DAQVGJNLVSBVKY-VIFPVBQESA-N 498.984 4.586 50 10 JJGE C[C@H](Br)CCCc1cn(-c2ccc(Br)cc2I)nn1 2231447992 LXZSWNACCBQQAM-VIFPVBQESA-N 498.988 4.741 50 10 JJGE O=C(c1sccc1I)N1[C@H](CBr)C[C@@H]2CCCC[C@@H]21 2232020788 UAUOJNJJXNWXNP-NHCYSSNCSA-N 454.171 4.521 50 10 JJGE C[C@]1(CNC(=O)c2c(Br)cccc2Br)CCC[C@@H]1Br 2271303938 ZCTAYOVXMMGSPQ-SMDDNHRTSA-N 454.000 4.895 50 10 JJGE CC1(C)CCCN(C(=O)c2ccc(Cl)c(I)c2)[C@H]1CBr 2283667753 IYVAGTHVNIEPJH-ZDUSSCGKSA-N 470.576 4.970 50 10 JJGE CCOC(=O)C(C#N)=Cc1cc(I)c(OCc2ccccc2)c(OCC)c1 2294284556 DDCCBZUGPUPOIS-UHFFFAOYSA-N 477.298 4.739 50 10 JJGE C[C@@H]1CN(Cc2ccc(I)c(Br)c2)CC[C@@H]1Br 2306231687 LYQOACRCBQHSGU-KOLCDFICSA-N 472.990 4.659 50 10 JJGE COc1ccc(C=NNC(=O)CSc2nc(O)c3c(-c4ccccc4)c(C)sc3n2)cc1 2320486412 KTSIJRFFSLORQM-UHFFFAOYSA-N 464.572 4.623 50 10 JJGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(OC)c2)cc1OC 2320506829 SJZAQRFTKIWQJU-UHFFFAOYSA-N 460.442 4.904 50 10 JJGE COc1ccc(CCO[C@H](CCl)[C@@H](I)CCl)c(Br)c1 2339258749 YGYVHEBVBCCWMP-QWHCGFSZSA-N 481.983 4.667 50 10 JJGE O=C(COc1ccc(Cl)cc1Cl)N[C@H](CCBr)COCc1ccccc1 2343647132 WWDIXWUDZDHDAY-MRXNPFEDSA-N 461.183 4.859 50 10 JJGE O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12)NNC(=O)c1ccc(F)cc1 39852752 UIAQSJJIIOZYKN-UHFFFAOYSA-N 450.901 4.806 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3F)cc2)cc1 58893320 SMQZISYDEULJEU-YNAQZEJMSA-N 450.510 4.767 50 10 JJGE COc1cc(/C=N/NC(=O)c2ccc3c(c2)CN(c2cccc(C(F)(F)F)c2)C3)ccc1O 59038502 DKTGUWSNQRGHTF-KVSWJAHQSA-N 455.436 4.704 50 10 JJGE COc1cc(/C=N/NC(=O)c2ccccc2OCc2ccc(Br)cc2)cc(OC)c1OC 96095916 MJDYOVLFKMWCDH-VULFUBBASA-N 499.361 4.818 50 10 JJGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)NC)cc1 101240452 TXBOTLPEKQHQKX-ZSYKKXJESA-N 460.386 4.728 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCCOc1ccccc1 206399790 QEOUELMBQDRKHO-QJOMJCCJSA-N 470.525 4.683 50 10 JJGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\Nc1cc(OC)c(Cl)cc1OC 217241047 KBBQOURXRFIGDC-PFONDFGASA-N 457.914 4.772 50 10 JJGE O=C(NC[C@H]1CCC[C@H]1CBr)c1cc(Br)cc(Br)c1 232479739 RNAMBAUUMVMEIM-VHSXEESVSA-N 454.000 4.753 50 10 JJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccccc3F)cc2OC)cc1 254594596 VOVGENBMCNAFLW-UHFFFAOYSA-N 464.493 4.996 50 10 JJGE O=C(NN=Cc1ccc(F)cc1)c1csc(-n2nc(-c3ccccc3)cc2C(F)(F)F)n1 254743745 HATRSLCZOVPQOG-UHFFFAOYSA-N 459.428 4.918 50 10 JJGE CCn1c(SCC(=O)NN=C/C(Br)=C\c2ccccc2)nnc1-c1ccccc1 254882928 CJDYHQLGHVQOPO-AAPKHWLTSA-N 470.396 4.595 50 10 JJGE CC[C@@H](Br)CCCNS(=O)(=O)c1cc(Br)c(C)cc1Br 398593471 VZDOUKJIVBWQQH-SNVBAGLBSA-N 492.071 4.752 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H]1CBr)c1scc(Br)c1Br 705409665 NOTQRJNDFJIYOO-SFYZADRCSA-N 460.029 4.814 50 10 JJGE N#Cc1cccc(OCc2ccoc2C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)c1 726496841 MSUGDIBVFXCEFG-UHFFFAOYSA-N 485.471 4.523 50 10 JJGE COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1C 728483491 GOUMQJKTCWRGKW-QGOAFFKASA-N 473.920 4.758 50 10 JJGE CS(=O)(=O)Cc1cccc(CNC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)c1 749191159 DKNICENIUVDCGB-INIZCTEOSA-N 466.934 4.772 50 10 JJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(Cc2ccccc2F)c2ccccc21 1084318496 FTPPREACUSTUEA-AWEZNQCLSA-N 486.330 4.967 50 10 JJGE C#Cc1cccc(NC(=S)NNC(=O)c2c3c(nc4ccccc24)CC[C@@H](C(C)(C)C)C3)c1 1651317853 UUIWMEPCMXQYQX-GOSISDBHSA-N 456.615 4.999 50 10 JJGE CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1 1865683495 KVTJGCYIVIUXGO-SFHVURJKSA-N 473.886 4.888 50 10 JJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)c1 1865693822 ZLXKUFASHGSKAP-GOSISDBHSA-N 490.869 4.839 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1cccc([N+](=O)[O-])c1 1865706167 PGVOLVZVPHFNSA-OAHLLOKOSA-N 461.787 4.671 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)CCc2ccco2)cc1 1866578346 JLYIUKLZFQHHSG-QFIPXVFZSA-N 465.600 4.842 50 10 JJGE N#C/C(=C(/O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872747296 WJZBQNVCUYAXIC-SDXDJHTJSA-N 468.878 4.590 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CC[C@]2(CCC[C@@H]2Br)C1 1918934941 CHQKJVCCBMGHCW-DZGCQCFKSA-N 468.560 4.724 50 10 JJGE COC1(CBr)CCN(Cc2cccc(Br)c2Br)CC1 2092327622 CVLHDCBPPMPGIW-UHFFFAOYSA-N 456.016 4.588 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2Br)CC[C@H]1CBr 2109032272 MKZDCHSRBCGUGX-ZJUUUORDSA-N 454.000 4.705 50 10 JJGE Cc1nn(C)c(Br)c1COc1ccc(Br)c(CBr)c1 2129300855 VDXYHERXEXFOFC-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE CC1(C)CCC[C@]1(CBr)NC(=O)c1cc(I)ccc1F 2169663104 HEMFGXCOIADAFO-OAHLLOKOSA-N 454.121 4.504 50 10 JJGE CC1(C[S@@](C)(=O)=NC[C@H](CBr)c2ccccc2)CN(C(=O)OC(C)(C)C)C1 2192784579 JKKMRZAOOLNVMR-CBZJRKILSA-N 459.450 4.520 50 10 JJGE CC[C@H](C)[C@H](CBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277931205 WKBKYJPFMHWZRH-ZANVPECISA-N 456.016 4.680 50 10 JJGE C[C@@H](Br)CN(CC(C)(C)C)S(=O)(=O)c1cc(Cl)c(Br)s1 2288053143 CPBOYZNPDYJMJH-MRVPVSSYSA-N 467.676 4.984 50 10 JJGE C[C@@H](Br)CN(CC(C)(C)C)C(=O)c1cccc(F)c1I 2288078803 PGPWSJUYUFXEDH-SNVBAGLBSA-N 456.137 4.702 50 10 JJGE C[C@H]1CCCN(c2ccc(C=C(C#N)c3nn(-c4ccccc4)c(N)c3C#N)cc2[N+](=O)[O-])C1 2297296978 MFSRCSDTQYRLEL-KRWDZBQOSA-N 453.506 4.535 50 10 JJGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2[C@H]3COC[C@H]32)c1Br 2339674098 HXQGQZFNMDFCII-IWXIMVSXSA-N 454.984 4.857 50 10 JJGE CC1CC(CBr)(N(C)C(=O)c2ccc(Cl)cc2I)C1 2340064266 FAENERRUSYXZFT-UHFFFAOYSA-N 456.549 4.580 50 10 JJGE CC(C)n1cnc(COc2c(Br)cc(Br)cc2CBr)n1 2368423653 RMMRLTRDWHLANA-UHFFFAOYSA-N 467.987 4.858 50 10 JJGE C[C@@H](C(=O)N/N=C/c1ccc(Cl)cc1Cl)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 35582962 YQDRQYSOTGZIKS-ABGDNVJCSA-N 463.390 4.601 50 10 JJGE Cc1cc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)no1 40822086 VOZVULOYXDGYKG-CVKSISIWSA-N 491.331 4.679 50 10 JJGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1 40869989 POZVGZKLUGXRMP-DJKNNIRCSA-N 468.509 4.546 50 10 JJGE O=C(N/N=C1/C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1cc(F)c(F)cc1Cl 59152700 HJWVGSXLTCYTHL-AYVOFOCFSA-N 451.860 4.812 50 10 JJGE CCn1nc(C(=O)N/N=C(/C)c2ccc3c(c2)Nc2ccccc2S3)c2ccccc2c1=O 59347557 FSRUUQTXJAOFAD-DICXZTSXSA-N 455.543 4.779 50 10 JJGE C/C(N)=C(/C#N)C(=O)CSC1=N/C(=C/c2ccc(C(C)C)cc2)C(=O)N1c1ccc(C)cc1 104386232 SSJXGNRWJVKUAZ-YYJKHYDQSA-N 458.587 4.921 50 10 JJGE Cn1c(=O)n(C)c2cc([C@@H](Cl)c3sccc3Br)c(Br)cc21 111536813 HYWZWXBYVODMRO-GFCCVEGCSA-N 450.583 4.792 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)CSc1ccc(C)cc1 206964715 MLXDRXBKHCNKES-MOSHPQCFSA-N 476.554 4.908 50 10 JJGE COCCOCCCC(CBr)(CBr)c1ccccc1Br 234750023 XLLKTMAIMMBFSG-UHFFFAOYSA-N 473.043 4.920 50 10 JJGE C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)NNC(=O)c2ccc(F)cc2)nnc1-c1cccs1 251642787 SFJXAIUPZZOVFB-YEWFCNIMSA-N 499.637 4.696 50 10 JJGE Cc1cc(C=NNC(=O)COc2cccc3cccnc23)c(C)n1-c1ccc(Br)cc1 252595289 BZAWKVVWEWIIFJ-UHFFFAOYSA-N 477.362 4.934 50 10 JJGE aggregator O=C(CNc1ccc2ccccc2c1)NN=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 252601890 FDISIZAJFRZUFV-UHFFFAOYSA-N 468.469 4.529 50 10 JJGE O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)NN=Cc1cccnc1 254737206 WSJZSCBWAXODLG-UHFFFAOYSA-N 493.596 4.670 50 10 JJGE C[C@@H](Cl)[C@H]1CCCCN1C(=O)c1cc(Br)ccc1I 688775344 DKSWVDLBRRRWKO-NOZJJQNGSA-N 456.549 4.676 50 10 JJGE CC(C)(C)N(CCCBr)S(=O)(=O)c1cc(Cl)c(Br)s1 690995447 HBLJOIHLUFAROA-UHFFFAOYSA-N 453.649 4.738 50 10 JJGE Cc1cccc(C(=O)N2CC(C)(C)CC[C@@H]2CBr)c1I 701587885 AWKWKDGGQOVLGD-GFCCVEGCSA-N 450.158 4.625 50 10 JJGE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CCC(C)C)c1 727348999 GVEBCZOIPWDYLU-UHFFFAOYSA-N 498.432 4.572 50 10 JJGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 1084642724 YLWDZXOKXGQXPS-JOCHJYFZSA-N 452.938 4.892 50 10 JJGE O=C(CSc1ccc(OC(F)(F)F)cc1)NNC(=O)Nc1cccc(C(F)(F)F)c1 1088674875 CMDRDSGMSDCDFE-UHFFFAOYSA-N 453.364 4.549 50 10 JJGE CC(=O)N1CC[C@@H](NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2ccccc21 1525998965 VTDYGYVGLYAAQM-BTUGVJQXSA-N 456.521 4.754 50 10 JJGE C=C(C)CCNC(=O)NNc1c(Br)cc(Br)cc1Br 1635426092 ABMNCYMRCXTIFI-UHFFFAOYSA-N 455.976 4.566 50 10 JJGE CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)C[C@@]2(C)[C@H]3CC[C@]2(O)C(=O)CO)C1 1848439042 BDSXTAZQULRQBM-VEMUIOLHSA-N 478.746 4.891 50 10 JJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1OCC 1865691035 HLWMDIHDQZCGAQ-LJQANCHMSA-N 485.466 4.692 50 10 JJGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696936 UNRYGXGSYJJIPZ-GOSISDBHSA-N 471.742 4.774 50 10 JJGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865701209 OYSGTALHFLUMLA-HXUWFJFHSA-N 450.926 4.714 50 10 JJGE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714737 OTDLMXOZEPXZIR-LJQANCHMSA-N 455.743 4.874 50 10 JJGE CC[C@@](C)(NC(=O)[C@@H](Cc1ccncc1)c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866707908 SIHZVCQKHZTXQF-JYFHCDHNSA-N 458.587 4.905 50 10 JJGE Brc1cc(CNC2CC2)cc(Br)c1OC[C@@H]1C[C@H]1Br 1887832779 JYLATZSGMVPNCB-GXSJLCMTSA-N 454.000 4.626 50 10 JJGE CC[C@@H](Cl)CN(Cc1ccccc1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 1901046167 YCJMVSBMKQTFIL-OAQYLSRUSA-N 491.053 4.692 50 10 JJGE CC1(C)C[C@@H](Cl)CN(C(=O)c2ccc(I)c(Br)c2)C1 1923156520 MACQMVHRAWXYGO-SNVBAGLBSA-N 456.549 4.533 50 10 JJGE CCOC(=O)[C@H](Br)Cc1cc(Br)c(Br)c(Br)c1 1946434024 FDXYFEARSWPUFT-SECBINFHSA-N 493.815 4.843 50 10 JJGE CCOC(=O)[C@H](Cl)Cc1cc(Br)c(I)c(Br)c1 1946434884 PAWOEIKCSOCDBA-SECBINFHSA-N 496.364 4.529 50 10 JJGE CC[C@@H](C)[C@@H](CI)NC(=O)c1scc(Br)c1Br 2023028058 IDTGXNODSKQMSK-HTRCEHHLSA-N 495.018 4.853 50 10 JJGE CC1(C)C[C@H](CBr)N(C(=O)c2cc(Br)sc2Br)C1 2033711093 GRYAIJFSMQDQLK-SSDOTTSWSA-N 460.029 4.909 50 10 JJGE Cc1c(Br)ccc([C@@H](Br)[C@H]2CCCS2(=O)=O)c1Br 2083317319 FKGCFFCHZSZAEP-ZYHUDNBSSA-N 461.013 4.533 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCOc2ccc(Br)cc21 2125294191 SRJHHRIXXNAYSY-HNNXBMFYSA-N 463.463 4.768 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNc1c([N+](=O)[O-])ccc(F)c1Br 2125294757 XKEJPUIJOPYQJG-UHFFFAOYSA-N 470.386 4.814 50 10 JJGE O=C1c2ccccc2C(=O)N1CCc1nccn1-c1ccc(C(F)(F)F)c(CBr)c1 2181258706 GHDPIGBAHDFVIJ-UHFFFAOYSA-N 478.268 4.625 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@@H](Br)C(F)(F)F)C[C@H]1c1ccccc1 2185529658 OVJCDFBBDHMUMU-OWCLPIDISA-N 451.327 4.553 50 10 JJGE CC1(C)CCCN(C(=O)c2ccc(I)c(Br)c2)[C@H]1CCl 2185813634 UQDQDEHCIZZTQU-ZDUSSCGKSA-N 470.576 4.923 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1ccc(I)c(Cl)c1 2204561650 GMRJGUNHOFDOAP-AEHQLWAISA-N 468.560 4.627 50 10 JJGE C[C@]1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)COCCO1 2272747108 GMELKZUISVZSIW-VXGBXAGGSA-N 464.926 4.731 50 10 JJGE CC[C@H](C)[C@@H](CBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277931202 WKBKYJPFMHWZRH-TVQRCGJNSA-N 456.016 4.680 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H](CBr)CC(F)(F)F 2295309318 HYLWHNGUZNUHAL-JTQLQIEISA-N 481.932 4.586 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1C[C@@H]2CC[C@H]1C[C@@H]2NC(=O)OC(C)(C)C 2298475698 QEZNCDTZSOBAAF-XSLAGTTESA-N 475.721 4.564 50 10 JJGE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N(Cc4ccc(OC)cc4)C(=O)C(C#N)=C3C)o2)cc1 2314616462 BCAIYNWEOQAWFC-UHFFFAOYSA-N 496.519 4.924 50 10 JJGE C=CC[C@@H](Br)[C@@H]1CCN1Cc1ccc(I)c(Br)c1 2325212458 DYVTUNAJDLIELH-RISCZKNCSA-N 485.001 4.968 50 10 JJGE COc1ccc([C@H](Br)c2c(Br)c(Br)nn2C)c(C)c1 2338860303 KQJHUMNDYGHSFB-JTQLQIEISA-N 452.972 4.746 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CCCC[C@H](CBr)C1 2340062065 VJGNAYKRVLQTBU-SNVBAGLBSA-N 456.549 4.582 50 10 JJGE Cn1cc(I)c(COc2c(Cl)cc(CBr)cc2Cl)n1 2341857291 RILGMHHSSRBVAZ-UHFFFAOYSA-N 475.939 4.805 50 10 JJGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1ccc(Cl)cc1I 2365587997 DEBVVVVXOGXZDO-QLXFMQRKSA-N 468.560 4.721 50 10 JJGE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14038756 RGHGHAZJROWPEQ-FQEVSTJZSA-N 479.536 4.834 50 10 JJGE CCCCOc1ccc(Nc2ncnc(NNC(=O)c3ccccc3Cl)c2[N+](=O)[O-])cc1 40620021 GNKDDMNAYPMSBZ-UHFFFAOYSA-N 456.890 4.718 50 10 JJGE Nc1c(NCc2ccccc2Cl)ncnc1NNC(=O)C(c1ccccc1)c1ccccc1 40794981 KILWUQZJAPFEHD-UHFFFAOYSA-N 458.953 4.600 50 10 JJGE COC(=O)/C(C#N)=C/c1cccc(OC(=O)c2cc(Br)c(Br)s2)c1 40935930 XFORMJIZBCZAKT-BJMVGYQFSA-N 471.126 4.572 50 10 JJGE CC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c(Br)c1 40951345 JSCKTDQKMZTDDF-OEAKJJBVSA-N 462.344 4.964 50 10 JJGE O=C(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1ccc(OCc2ccccc2)cc1 59398737 CETMUWJZHOUVCT-MZJWZYIUSA-N 457.408 4.885 50 10 JJGE O=S(=O)(NC[C@H]1CCCC[C@@H]1CBr)c1cc(Cl)c(Br)s1 136731234 LFGRCKLCZWHBGA-RKDXNWHRSA-N 465.660 4.644 50 10 JJGE N#C/C(=C/N1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217249511 HCXPVQVUAWCIHX-YPKPFQOOSA-N 452.839 4.666 50 10 JJGE N#Cc1ccccc1COc1ccccc1C=NNC(=O)C(O)(c1ccccc1)c1ccccc1 254598640 YSJGLPATGUNSIJ-UHFFFAOYSA-N 461.521 4.523 50 10 JJGE COc1ccc(C=NNC(=O)Cc2ccccc2)cc1COc1ccc(C(=O)OCC(C)C)cc1 254736406 ACCAGEQDQIOFFC-UHFFFAOYSA-N 474.557 4.780 50 10 JJGE C[C@H](Br)[C@@H]1CCCCN1C(=O)c1cc(Br)cc(Br)c1 688778324 RTFRJXBGJHCMAL-ZANVPECISA-N 454.000 4.990 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)c(-c2ccccc2)n1 726567731 HYFLDMPNAVDXJE-PWPXYVMHSA-N 486.373 4.806 50 10 JJGE CCOc1cc(C(=O)NN=C/C=C2/N(C)c3ccccc3C2(C)C)cc(OCC)c1OCC 886005248 OABDUYHRZHGLLD-XAXXYBTDSA-N 451.567 4.910 50 10 JJGE CC(=NNC(=O)Cc1nn2c(C3CCCCC3)nnc2s1)[C@H]1C[C@H]1c1ccccc1Cl 920369490 WHGUXADLCMRGKK-SJORKVTESA-N 457.003 4.725 50 10 JJGE CCCCCOc1ccccc1C(=O)NN=Cc1c(C)nn(-c2ccc([N+](=O)[O-])cc2OC)c1C 1084066082 XQYITZPSAAVLNR-UHFFFAOYSA-N 479.537 4.739 50 10 JJGE CCc1cccc2c(/C=C(/C#N)C(=O)NCc3cccs3)cn(CC(=O)NC3CCCC3)c12 1084315437 NVXZWPBVKXTSRY-UYRXBGFRSA-N 460.603 4.547 50 10 JJGE CC(CCc1ccccc1)=NNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 1084321024 UGERDWRHDMUZGQ-UHFFFAOYSA-N 469.994 4.660 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1 1084580313 YQFKEJIUEHXGAF-NRFANRHFSA-N 471.897 4.871 50 10 JJGE COc1ccc(OCc2cccc(Br)c2)c(C=NNC(=O)COc2ccccc2)c1 1084622542 MDDMFDQRUUQUTB-UHFFFAOYSA-N 469.335 4.566 50 10 JJGE C=C(Cl)CSc1nc(C)c(CC(=O)NNc2ccc(Br)cc2F)s1 1446460605 QILMLWGGPFEZOV-UHFFFAOYSA-N 450.786 4.884 50 10 JJGE Cc1cccnc1NC(=O)c1oc2c(c1C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747027 KELAFXMMTVYWBF-UHFFFAOYSA-N 494.367 4.533 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2)ccc1OCc1ccc(C)cc1 1772754169 CZVGFMNSWWCBCC-UHFFFAOYSA-N 483.362 4.874 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1ccccc1 1865680660 RKBHLEWICNWHBF-OAHLLOKOSA-N 461.241 4.872 50 10 JJGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1cccc(Cl)c1 1865693609 PLMAJUFHDOTEPT-NRFANRHFSA-N 464.953 4.773 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)cc1 1865694831 CTDCDPZRPIAYFL-HXUWFJFHSA-N 465.351 4.814 50 10 JJGE O=C(NN(Cc1ccccc1)Cc1ccccc1)c1cc(F)ccc1I 1923832675 UDBYZXIFSRMLBL-UHFFFAOYSA-N 460.290 4.778 50 10 JJGE Cc1cc(Cn2nc(CBr)c(I)c2C(F)(F)F)cc(C)c1O 2079239669 DEAQUJKYAQZMAK-UHFFFAOYSA-N 489.073 4.772 50 10 JJGE CC[C@@H](C)[C@H](CI)NC(=O)c1c(Br)cccc1Br 2081246569 OQOFZQMXNQKKDQ-KCJUWKMLSA-N 488.989 4.791 50 10 JJGE FC1(F)C[C@H](CBr)N(Cc2ccc(I)c(Cl)c2)C1 2086661321 LUUVCOAFCCYPJJ-SECBINFHSA-N 450.492 4.549 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@]12C[C@@H](CBr)C2 2125792242 QLSLJWUXKOUJIA-KMHCFJFGSA-N 451.984 4.601 50 10 JJGE O=[N+]([O-])c1sc(CBr)cc1N1CC[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2148937867 AYABLHIMIJFCFF-DLBZAZTESA-N 450.402 4.900 50 10 JJGE CN([C@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(Br)cc(CCl)c1F 2156442200 LYVROJGLXCMQQV-IRXDYDNUSA-N 476.795 4.695 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2CCC[C@@]2(CCl)C1 2159408397 LDQCHKTZAINCNY-XHDPSFHLSA-N 468.560 4.535 50 10 JJGE Cc1cc(C(=O)NCC2CCC(CBr)CC2)ccc1I 2207102869 QNZSGVCFNAWTEX-UHFFFAOYSA-N 450.158 4.531 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@H](Br)Cc1c(F)c(F)c(Br)c(F)c1F 2243479846 DHDJLCNVDMUFMJ-SSDOTTSWSA-N 495.064 4.608 50 10 JJGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)c(O)cc1O 2248029090 UNICDKROTZXRNV-ZDUSSCGKSA-N 457.162 4.676 50 10 JJGE CC(C)C[C@@H](CBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277917968 KZDYNPPJUBZZOX-ZDUSSCGKSA-N 456.016 4.680 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@H](CBr)C1CCC1 2295307429 JMTCLAXWEZZNGI-LBPRGKRZSA-N 468.027 4.682 50 10 JJGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc3ccccc3c2)cc1 2295523577 VSRLVSVCXRAPAY-UHFFFAOYSA-N 462.553 4.827 50 10 JJGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(F)cc2)cc1 2296736251 OBGAXDSSMFQFLO-UHFFFAOYSA-N 458.537 4.593 50 10 JJGE COc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)c1 2314611494 VNIUAJISWUEXHB-UHFFFAOYSA-N 466.541 4.796 50 10 JJGE C[C@H]1CN(Cc2ccc(I)c(Br)c2)C[C@H](C)C1Br 2325221435 GRHKCZXGDZZQCC-UWVGGRQHSA-N 487.017 4.905 50 10 JJGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2ccc(C(C)(C)C)c(Br)c2)c1 12492708 ZPZOWAIJZLITSV-UHFFFAOYSA-N 474.399 4.543 50 10 JJGE CCOc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(I)c1OC 33247322 AOJNEMXJJXPJEB-ZSOIEALJSA-N 459.287 4.947 50 10 JJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)cc1OC 38681210 CMRCTLCJHLNYMP-HHHXNRCGSA-N 468.509 4.626 50 10 JJGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)c1 38684366 HGOGRUDRUUCFRB-RUZDIDTESA-N 456.498 4.921 50 10 JJGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccccn1)CCC2 40814344 QRSPHRLMPAQMHK-CVKSISIWSA-N 458.301 4.979 50 10 JJGE CC(/C=C/c1ccccc1)=N\NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 48571855 FSOKKIJAKOULIU-CJWOJCOVSA-N 453.951 4.960 50 10 JJGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3ccc(Br)cc3)cc2[nH]1 109884187 OOERANMYQWAQDE-ZDUSSCGKSA-N 460.951 4.866 50 10 JJGE CCC(CC)[C@H](Br)CNC(=O)c1cc(Cl)ccc1I 230662837 IPKDSOYXPNHMMU-GFCCVEGCSA-N 458.565 4.874 50 10 JJGE C=CCOc1ccc(C=NNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 252625507 QLNQFQDSZRBCCJ-UHFFFAOYSA-N 498.004 4.635 50 10 JJGE CC(C)(C)[C@H](Br)CNC(=O)c1cc(Br)ccc1I 324607206 KUAGJSCGVNIICJ-LLVKDONJSA-N 488.989 4.593 50 10 JJGE CCOc1ccccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382698332 YSCRUGYIRRPXTD-HKUYNNGSSA-N 465.331 4.873 50 10 JJGE CC[C@H](C)[C@@H](CO[C@](C)(CI)CN(CC)C(=O)OC(C)(C)C)OC 384794908 XKOXAGKGPAEGEJ-HDMKZQKVSA-N 457.393 4.515 50 10 JJGE Cc1ccccc1C(CBr)(CBr)Cc1cn(C)nc1Br 714088080 HLCSMTHNADYBRJ-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE O=C(Nc1ccccc1C(=O)NNc1ccc(F)c(F)c1F)c1cccc(Br)c1 728715396 BUQBIBORYQZFAW-UHFFFAOYSA-N 464.241 4.876 50 10 JJGE Cc1ccnc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)c1 1772744294 BZVLFLAEIBXUDB-UHFFFAOYSA-N 481.350 4.777 50 10 JJGE COc1ccc(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)cc1OC 1858837634 CSPDVLAPRCUUKJ-OAHLLOKOSA-N 493.545 4.722 50 10 JJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865707680 CXPHWZHVFGKQHU-FQEVSTJZSA-N 471.344 4.977 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)c(OC)c1 1865707797 GOBMMAOMGVVJLT-HXUWFJFHSA-N 484.478 4.802 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccccc1O 1865708271 SBVHLAAYFBRLEX-MRXNPFEDSA-N 464.806 4.666 50 10 JJGE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714736 OTDLMXOZEPXZIR-IBGZPJMESA-N 455.743 4.874 50 10 JJGE CCC[C@H](NC(=O)c1cc(C2CC2)n2nc(C3CC3)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867173528 AYVYCEIZPYOYJA-IBGZPJMESA-N 474.590 4.594 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 1873793823 YNJAIJHFLRUOSL-YYHBXHNPSA-N 457.958 4.769 50 10 JJGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC(Br)C1 1886115876 HCVUGDKTBDMMOQ-OBXCYMAJSA-N 485.422 4.982 50 10 JJGE C[C@H](Br)C(C)(C)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1913847944 NFGYIGMUNZZJSE-ZETCQYMHSA-N 468.038 4.844 50 10 JJGE Cn1ncc([C@@H](Cl)c2cc(Br)c(Cl)cc2F)c1I 2036581105 YEGXOFGQAOMNGS-JTQLQIEISA-N 463.903 4.908 50 10 JJGE COc1sccc1[C@H](Br)c1cc(I)cc2c1OCC2 2095791719 WHENOGYIBVRFCM-LBPRGKRZSA-N 451.123 4.781 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC2(CC2)C[C@H]1CBr 2099155012 YYFNLWGWFCZVDH-VIFPVBQESA-N 451.984 4.601 50 10 JJGE CN(C(=O)c1sccc1I)C1(CBr)CC2(CCC2)C1 2108314295 DXFVNFUTPGDALN-UHFFFAOYSA-N 454.171 4.523 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@H](Br)C2(CCC2)C1 2108691382 ADCVJAAGUSPVKU-NSHDSACASA-N 451.984 4.601 50 10 JJGE CC[C@@H]1CCOC[C@H]1O[C@@](C)(CI)c1ccccc1Br 2152512726 JMVSMVXKLWFAHZ-WQVCFCJDSA-N 453.158 4.931 50 10 JJGE O=C(c1cc(Br)ccc1I)N1[C@H](CCl)C[C@@H]2CCC[C@H]21 2164666271 ZOOMWTZXWVBGPX-NURSFMCSSA-N 468.560 4.676 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@@H](CBr)CC2CC2)CC[C@H]1C(F)(F)F 2169163415 SHCUSIBAZJASPV-BZUAXINKSA-N 457.375 4.823 50 10 JJGE O=C(NCC[C@@H]1CCCC[C@H]1Br)c1cc(I)ccc1F 2179625646 BUGSCHDXEMBFCJ-GXFFZTMASA-N 454.121 4.504 50 10 JJGE Cc1sc(CBr)cc1S(=O)(=O)N(C)[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2179822876 BNNOTUZRSFDWNQ-IEBWSBKVSA-N 472.470 4.956 50 10 JJGE CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccc(CBr)cc2)CC[C@H]1C(F)(F)F 2182845797 VHNTVNOTQMMDTQ-CVEARBPZSA-N 451.327 4.859 50 10 JJGE O=C(NC[C@]12CCC[C@]1(CBr)C2)c1ccc(I)c(Cl)c1 2208039163 JGFABWCODKSDCB-HUUCEWRRSA-N 468.560 4.630 50 10 JJGE Cc1sc(C[C@@H](Br)CN2C(=O)c3ccccc3C2=O)c(C)c1Br 2209163132 LUQIWDFTOKZHBU-LLVKDONJSA-N 457.187 4.730 50 10 JJGE COc1cc(Br)c([C@H](Br)c2cnn(C)c2Br)cc1C 2227720581 ABAWQYHTBMFAJA-LBPRGKRZSA-N 452.972 4.746 50 10 JJGE O=C(c1csc(I)c1)N1[C@H](CBr)C[C@@H]2CCCC[C@@H]21 2232023741 BSMSMIMXBQTYTI-DLOVCJGASA-N 454.171 4.521 50 10 JJGE Cc1nn(C)c(Br)c1[C@H](Br)c1ccc2c(c1Br)CCO2 2238074958 WTVOOJFDZQDSOQ-CYBMUJFWSA-N 464.983 4.673 50 10 JJGE C[C@H](Br)CN(C(=O)c1cc(Br)ccc1Br)C1CCC1 2272431529 PWQHZZKDDVHPEV-VIFPVBQESA-N 454.000 4.990 50 10 JJGE CC(C)[C@@H]1[C@@H](Br)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2295312204 VBQLKYZPRBGUIQ-DZGCQCFKSA-N 468.027 4.775 50 10 JJGE CCN(C[C@@](C)(CI)O[C@H]1CCOc2ccccc21)C(=O)OC(C)(C)C 2340299389 PFVXXSWHEVJIBI-FXAWDEMLSA-N 475.367 4.978 50 10 JJGE CC(C)(C)OC(=O)NCC1CC([S@@](C)(=O)=NC[C@](C)(CBr)C(C)(C)C)C1 2352113331 MUWNEGPZZXYFBY-OLSJQJHSSA-N 453.487 4.835 50 10 JJGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-])[C@@H](Br)C2=O 33514344 HIISHVHGHPLXIJ-VUCTXSBTSA-N 464.143 4.999 50 10 JJGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc21 38649946 QBPXUHZDZHHBBQ-JOCHJYFZSA-N 477.314 4.895 50 10 JJGE O=C(NNc1ncnc(Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-])c1ccccc1Br 40588831 GSADJDRFLDYMEK-UHFFFAOYSA-N 497.231 4.667 50 10 JJGE C/C(=N/NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)c1ccc(Br)s1 59664168 VVNNZUBYBXEUOL-RSONKESFSA-N 492.439 4.833 50 10 JJGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 214324410 SNGLCPVZUMWNFZ-OZPNSZCYSA-N 496.542 4.758 50 10 JJGE O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NN=Cc1ccc(OCc2cccc3ccccc23)cc1 252627195 ROQIKHODVGMGPX-UHFFFAOYSA-N 484.468 4.928 50 10 JJGE O=C(N[C@H]1CCC[C@H](CBr)C1)c1cc(Br)ccc1Br 306103028 QQPOYFMBYJGXOC-ONGXEEELSA-N 454.000 4.895 50 10 JJGE CCn1c(=O)oc2cc([C@@H](Br)c3sccc3I)ccc21 383866623 VWLJXKVTBSZLEY-GFCCVEGCSA-N 464.122 4.765 50 10 JJGE O=C(N[C@H]1CCC[C@H](CBr)C1)c1cc(Br)sc1Br 385058875 QKDCOUTXPCOERH-YUMQZZPRSA-N 460.029 4.957 50 10 JJGE C[C@@H]1[C@@H](CBr)CCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 395177743 UDQHEZPTFBWYQV-HTQZYQBOSA-N 466.022 4.550 50 10 JJGE C[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2I)[C@@H]1CCBr 700331563 WZSMHRMBOPTUPB-QMTHXVAHSA-N 470.576 4.970 50 10 JJGE CC[C@H](Br)c1nnc(-c2ccc(I)c(Br)c2)o1 721580062 SGTFLXPFVWZMLN-ZETCQYMHSA-N 471.918 4.950 50 10 JJGE CC(C)(CCl)CCCNC(=O)c1ccc(I)c(Br)c1 721595063 SIYZFJJBHLCRLT-UHFFFAOYSA-N 458.565 4.829 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)Nc2ccn(CCc3ccncc3)n2)c(C)n1-c1ccc(F)cc1 749526752 DHICWFSLCIAGOV-CJLVFECKSA-N 454.509 4.613 50 10 JJGE Cc1cccc(NCCCC(=O)NN=Cc2c(C)nn(-c3ccccc3)c2N2CCCCC2)c1 1084481951 SNLAGONMOHTYAX-UHFFFAOYSA-N 458.610 4.822 50 10 JJGE CCN(CC)c1ccc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)c(O)c1 1614703867 JALSHMUOJSZGOM-NQIIRXRSSA-N 464.391 4.889 50 10 JJGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cccc(F)c1 1865691709 ZGDSPHAQIUHVMI-LJQANCHMSA-N 470.426 4.872 50 10 JJGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1ccccc1Cl 1865692749 HVCMWBKCFUQTFZ-OAQYLSRUSA-N 464.953 4.773 50 10 JJGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc1OC 1865697640 YNPFYRLBZJKXOJ-DEOSSOPVSA-N 462.525 4.785 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)c(OC)c1 1865708074 NKPLUYIXESJKMS-DEOSSOPVSA-N 482.515 4.973 50 10 JJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865712274 USDBPBVSMWJZBY-DEOSSOPVSA-N 480.524 4.783 50 10 JJGE CCOc1cc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCc1ccc(F)cc1 1873794844 DCVDXAMRQNKBQY-KQBIVOJMSA-N 485.556 4.653 50 10 JJGE Cc1ccc(Br)c(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)c1 1916385629 ICUUJHDGRKZBLO-MRXNPFEDSA-N 455.190 4.810 50 10 JJGE C[C@H](CCCCBr)NC(=O)c1ccc(Br)cc1I 2086152288 ZMOSPUNCLIAQFV-SECBINFHSA-N 488.989 4.737 50 10 JJGE CC[C@H]1[C@@H](CBr)CCN1C(=O)c1c(Br)cccc1Br 2094090550 INDYOIALHIDIOV-SKDRFNHKSA-N 454.000 4.847 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CCC2(CC1)C[C@@H]2CBr 2148909619 KOYYKVICRZJOEN-SNVBAGLBSA-N 468.560 4.582 50 10 JJGE O=[N+]([O-])c1sc(CBr)cc1N1CC[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2148937870 AYABLHIMIJFCFF-SJORKVTESA-N 450.402 4.900 50 10 JJGE Cc1cccc(C(CBr)(CBr)Cc2cnn(C)c2Br)c1 2173258105 PFMZYDUSUIMJNV-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE Cc1cc(S(=O)(=O)N2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@@H]2C)sc1CBr 2179821755 NQVMYHWKBBXDON-ULQDDVLXSA-N 471.486 4.623 50 10 JJGE O=C(c1ccc(Br)cc1I)N(CCCl)Cc1ccsc1 2207272234 MPYRQQWLMLSEOD-UHFFFAOYSA-N 484.584 4.996 50 10 JJGE COc1ccc([C@@H](Br)c2c(C)nn(C)c2Br)cc1I 2269538855 CTAZLZYQMSUJMI-GFCCVEGCSA-N 499.972 4.589 50 10 JJGE CCC[C@@](C)(CBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277915399 KKSZXSNXIRFHNV-AWEZNQCLSA-N 456.016 4.824 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@]2(CCC[C@H](CI)O2)[C@H]1C(F)(F)F 2303942573 LHRZAGVWQXTLRV-TYNCELHUSA-N 463.278 4.691 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC 2313518584 KAUAHSDNUYHTMQ-UHFFFAOYSA-N 476.314 4.943 50 10 JJGE N#CC(=Cc1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)Nc1ccc(F)cc1 2314532554 KZLHPJBFLIZSIU-UHFFFAOYSA-N 460.852 4.825 50 10 JJGE CC(F)(F)C[C@@H](CBr)NCc1ccc(Cl)c(I)c1 2315554709 IJQOUHWMTPAMPX-VIFPVBQESA-N 452.508 4.843 50 10 JJGE C[C@H]1C[C@H](CBr)CN(Cc2ccc(I)c(Br)c2)C1 2325221606 HOHVASCPBYUADF-CMPLNLGQSA-N 487.017 4.907 50 10 JJGE Cc1ccc(COc2ccccc2C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1 2328822764 RIFGVFOYJSNBNB-QFIPXVFZSA-N 453.583 4.964 50 10 JJGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@@H]1C[C@H]1Br 2332464870 YUUKOTMLKPZOHO-GJMOJQLCSA-N 457.512 4.863 50 10 JJGE CCn1nc(C)c(CCl)c1OCc1cc(I)ccc1Br 2367519377 HPEDJUIVTRYCQP-UHFFFAOYSA-N 469.548 4.896 50 10 JJGE O=C(COc1c(Cl)cc(Cl)cc1Br)NNC(=O)COc1cccc2ccccc12 9779778 SUUYWEWOFXUBJK-UHFFFAOYSA-N 498.160 4.514 50 10 JJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 12577196 OAJVRAZKNGMBDM-UWVGGRQHSA-N 466.148 4.682 50 10 JJGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C(=O)OCC)o2)cc1 34870058 HUWGDGFOXASFSQ-CYVLTUHYSA-N 458.470 4.846 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1 38650377 XKHVEOOCKIAWFZ-AREMUKBSSA-N 456.498 4.515 50 10 JJGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1[C@H]2CC[C@@H]1CC(Br)C2 160475293 UDLPMJGSZQVEHR-RSMPGPOFSA-N 478.033 4.835 50 10 JJGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccccc2C(C)C)c(OC)c1 207142035 UQQWGXNHFLIZNA-ZHZULCJRSA-N 450.535 4.626 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 254708471 HSZKFPUSYOMFBJ-UHFFFAOYSA-N 471.586 4.802 50 10 JJGE Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NN=CC3=CC[C@H]4C[C@H]3C4(C)C)cc2)cc1 254737397 FFRHNPGTOHNCDO-LADGPHEKSA-N 465.619 4.524 50 10 JJGE C[C@]1(CI)CC[C@H](c2cc(Br)c3c(c2)OCCCO3)O1 312967096 UWPJTTREMYELRT-IUODEOHRSA-N 453.114 4.656 50 10 JJGE Nc1cc(Br)ccc1[C@H]1CN(Cc2ccccc2)C[C@H]1CI 394693453 QFZCHEORVGQXAI-PBHICJAKSA-N 471.180 4.682 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)c(-c2ccccc2)n1 726567729 HYFLDMPNAVDXJE-HGZFTZBLSA-N 486.373 4.806 50 10 JJGE COc1ccc(C(=O)NN=C2C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1OC 1083944766 WJEVTJYWWLFFTF-UHFFFAOYSA-N 484.339 4.692 50 10 JJGE C=CCC[C@H](NC(=O)NNC(=O)C(F)(F)Oc1ccccc1)c1ccc(C(F)(F)F)cc1 1478271849 GCKWVCCNLUNBAV-KRWDZBQOSA-N 457.399 4.715 50 10 JJGE COc1cc(C=NNC(=O)CSc2nc3ccccc3o2)ccc1OCc1ccc(C)cc1 1772760545 UHXQMYAQXWFHPH-UHFFFAOYSA-N 461.543 4.966 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1OCC 1865688960 GGKFFSPPHSUTQT-IBGZPJMESA-N 470.451 4.907 50 10 JJGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865692825 JICRVTNXMZXQRR-QFIPXVFZSA-N 462.525 4.648 50 10 JJGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865705902 JAYOFJNJOGMMNW-HSZRJFAPSA-N 479.496 4.983 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1 1865712625 DBGNOSRVUCOKOA-QGZVFWFLSA-N 478.833 4.969 50 10 JJGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865712653 DSFWBJAENMBCSO-QHCPKHFHSA-N 479.496 4.983 50 10 JJGE C[C@@H](CBr)[C@@H](C)NCc1ccc(I)c(Br)c1 1904340356 YGCNOQZYMLYOIT-DTWKUNHWSA-N 460.979 4.563 50 10 JJGE O=C(NCC[C@H]1CCC[C@H]1Br)c1c(Br)cccc1Br 1913756350 XNTBOPSNLRDZEP-NXEZZACHSA-N 454.000 4.895 50 10 JJGE C[C@H](CCBr)N(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1917074406 PWQUWEJOXOARHM-SSDOTTSWSA-N 454.011 4.550 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C2CC2)C1 2018374374 ICUJRLPIKYEXHB-ZWKOTPCHSA-N 475.721 4.660 50 10 JJGE O=C(c1csc(Br)c1Br)N1CCC[C@@](F)(CBr)C1 2039797708 YNAKKSRRFOBWHB-LLVKDONJSA-N 463.992 4.612 50 10 JJGE C[C@H]1CC[C@@H](CBr)N(C(=O)c2cc(Br)c(Br)s2)C1 2048054284 YNZZVURTKNHVPN-YUMQZZPRSA-N 460.029 4.909 50 10 JJGE O=C(CBr)c1cc(I)c(Br)c(C(F)F)c1 2054782479 PHKVYNRAXSXWIQ-UHFFFAOYSA-N 453.846 4.569 50 10 JJGE CCN(C[C@](C)(CI)OC[C@H]1CCC(C)(C)CO1)C(=O)OC(C)(C)C 2076725276 MFTWTVVEBVKQES-BEFAXECRSA-N 469.404 4.659 50 10 JJGE COc1cc(F)c(Cn2nc(CCl)c(I)c2C(F)(F)F)c(F)c1 2079210470 RVCNVFDNWNXIFX-UHFFFAOYSA-N 466.575 4.580 50 10 JJGE CCc1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)cc1 2079259023 QIWSQLQGRAPXBF-UHFFFAOYSA-N 459.047 4.953 50 10 JJGE CC[C@H](C)[C@@H](CBr)NC(=O)c1ccc(I)c(Br)c1 2081235949 KUKMEJHUHBNFQY-QPUJVOFHSA-N 488.989 4.593 50 10 JJGE O=C(NC[C@@]12CCC[C@]1(CBr)C2)c1scc(Br)c1Br 2142951147 XOTJBNFIUQDJCF-OLZOCXBDSA-N 472.040 4.958 50 10 JJGE Br[C@H](C[C@H]1CCCOCC1)c1cc(I)cc2c1OCC2 2145485211 WJXGYCMCDRZDGO-XHDPSFHLSA-N 451.142 4.869 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2I)CC[C@H]1CCCl 2172479536 ZPDFJAGPCHICQK-GHMZBOCLSA-N 470.576 4.781 50 10 JJGE C[C@@H]1CCN(S(=O)(=O)c2cc(CBr)ccc2Cl)CCN1Cc1ccccc1 2179793197 QJFBEUDIIHWPAF-MRXNPFEDSA-N 471.848 4.520 50 10 JJGE CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccc(CBr)cc2)CC[C@H]1C(F)(F)F 2182845799 VHNTVNOTQMMDTQ-HZPDHXFCSA-N 451.327 4.859 50 10 JJGE Cc1cc(C(=O)N2CC[C@H](Br)[C@@H]2C(C)(C)C)ccc1I 2207095672 GUHIGJFBWGHBFA-GXTWGEPZSA-N 450.158 4.624 50 10 JJGE Cc1cc(C(=O)NC[C@H]2CCC[C@H](CBr)C2)ccc1I 2207106499 MHAUBRIMTWGZEM-STQMWFEESA-N 450.158 4.531 50 10 JJGE F[C@]1(CC(CBr)(CBr)c2ccccc2Br)CCOC1 2229972342 YKURODMLELWLDQ-AWEZNQCLSA-N 458.991 4.995 50 10 JJGE COc1ccc([C@H](Br)c2ccc(F)cc2OC)cc1I 2285017129 YXSUCKWLRLOJTB-HNNXBMFYSA-N 451.073 4.932 50 10 JJGE Cc1ccc(I)c(C(=O)N[C@H](CCCl)COCc2ccccc2)c1 2303698867 BKEBWUDVMUCCIW-MRXNPFEDSA-N 457.739 4.544 50 10 JJGE C=CCc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1ccccc1C#N 2313567631 JGXSFWYTFPXDBS-UHFFFAOYSA-N 450.336 4.623 50 10 JJGE CCCCCCCCOc1ccc(C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 2314621141 ZMPYUGUFDHGUDI-UHFFFAOYSA-N 482.577 4.590 50 10 JJGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2OC)cc1 2314634500 AJSDQXYGDJUXBW-SANMLTNESA-N 484.508 4.549 50 10 JJGE CCOc1cc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc(Br)c1O 2323153224 NKZCVTBEKUTECT-UHFFFAOYSA-N 456.340 4.677 50 10 JJGE CC(C)(CI)CN(C1CC1)[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F 2326671478 DPMRHTGRXKSIIX-ZDUSSCGKSA-N 478.337 4.758 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccccc1OCc1ccccc1C 2328821159 VBSRXWCFOYFSRS-MBSDFSHPSA-N 453.583 4.964 50 10 JJGE Clc1ccccc1C[C@H](CBr)Cc1ncc(I)cn1 2353295664 IEOMLXRFPKFUDZ-JTQLQIEISA-N 451.533 4.531 50 10 JJGE CC(C)[C@@H](NC(=O)OC(C)(C)C)c1csc(NC(=O)N2CCC(Br)CC2)n1 2362634208 DIUALBWOPROTRE-CQSZACIVSA-N 461.426 4.756 50 10 JJGE O=C(N[C@H]1C[C@@H](CBr)C12CCC2)c1ccc(I)c(Cl)c1 2379697935 WMTKCHARRALWDP-GWCFXTLKSA-N 468.560 4.628 50 10 JJGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1)c1ccccc1NS(=O)(=O)c1cccs1 3311251 QOYUEFJATODPIH-UHFFFAOYSA-N 491.594 4.892 50 10 JJGE O=C(CCS(=O)(=O)c1ccc(Cl)cc1)NNc1nc2c(Cl)c(Cl)ccc2s1 10046007 UTXNCKLHZBODLK-UHFFFAOYSA-N 464.783 4.564 50 10 JJGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)C(c1ccccc1)c1ccccc1 12581420 VNXAFYQZEVYABJ-UHFFFAOYSA-N 470.356 4.692 50 10 JJGE Cc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCC(C)C)cc1Br 14666995 IQCCWQLDTSNTKX-UHFFFAOYSA-N 484.188 4.630 50 10 JJGE C[C@@H]1CCc2c(sc(NC(=O)/C(C#N)=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2C(N)=O)C1 33537898 FAUMZBJJOAKNFO-LKKYZFDUSA-N 476.514 4.686 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)c1 38650127 FGYDPYZXQQSFIS-JOCHJYFZSA-N 477.314 4.895 50 10 JJGE CCOc1cc(/C=N\NC(=O)c2nc(-c3ccccc3)sc2C)cc([N+](=O)[O-])c1OCC 169927214 NTJFPBFMZFYESZ-QRVIBDJDSA-N 454.508 4.588 50 10 JJGE CCn1c(SCC(=O)NN=C(C)c2ccc(OC)cc2)nnc1-c1ccc(C(C)(C)C)cc1 254877062 VVPAQSWXDJBBRK-UHFFFAOYSA-N 465.623 4.904 50 10 JJGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NCc1ccco1)[C@H]2Br 256022789 ANFYVWNUDDZRRJ-LKTVYLICSA-N 484.026 4.582 50 10 JJGE ClCc1nc2cc(I)ccc2n1C[C@@H]1CCN(Cc2ccccc2)C1 385508403 MGTBPAHWBBFBFI-MRXNPFEDSA-N 465.766 4.902 50 10 JJGE O=C(Nc1cc(I)ccc1Br)[C@H](Cl)c1ccccc1 388559916 OPHIUOWJMOVFHI-CYBMUJFWSA-N 450.501 4.972 50 10 JJGE C[C@H](Br)C[C@@H](C)CNC(=O)c1cc(I)ccc1Br 397860811 XNWVOMUGXIYCOS-BDAKNGLRSA-N 488.989 4.593 50 10 JJGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2)c1 616602637 MIOITJPEQASWHP-QHCPKHFHSA-N 460.716 4.586 50 10 JJGE CN(C)[C@@H](CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)c1ccc(F)cc1 918653110 DZYPNIVPPCERBV-HAKLDRHFSA-N 490.970 4.582 50 10 JJGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=C/C=C/c1ccccc1 1084358148 LGJWXVFVZHPQJI-VRXRGGKVSA-N 467.598 4.960 50 10 JJGE O=C(CSc1ccc(Cl)cc1)NN=Cc1cc(Br)cc(Br)c1O 1084506859 QTFKRBBJWXWKTQ-UHFFFAOYSA-N 478.593 4.813 50 10 JJGE C#CCC[C@@H](O)CNC(=O)Nc1cc(Br)ccc1CO[Si](C)(C)C(C)(C)C 1672213348 IMMNCGIXPQRMCN-QGZVFWFLSA-N 455.469 4.867 50 10 JJGE COc1cc(C=NNC(=O)COc2cccc(Br)c2)ccc1OCc1ccc(C)cc1 1772754500 IVJQCRPUBOLEDO-UHFFFAOYSA-N 483.362 4.874 50 10 JJGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC(C)C)cc1OC 1865693791 YZGJAXVWFHWIGS-LJQANCHMSA-N 489.414 4.880 50 10 JJGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cn(C)c3ccccc23)cc1 1865699010 ILTDVSOACZGQQW-IBGZPJMESA-N 465.435 4.610 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706198 QCEKUWOGNXVATO-DEOSSOPVSA-N 480.524 4.539 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CC[C@@H](Br)C12CCC2 1914452817 YITHBPIVZHOEHW-GFCCVEGCSA-N 498.984 4.586 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@@H](CBr)C2CCC2)CC[C@H]1C(F)(F)F 1966469319 CPCRHBZJVQROSN-BZUAXINKSA-N 457.375 4.823 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2cscc2F)CC1 1993542224 PWJPPZMMSXGRCY-UHFFFAOYSA-N 455.333 4.609 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H](CBr)C2(CC2)C1 2027531819 YUFBOAPHVUQIBP-SSDOTTSWSA-N 458.013 4.520 50 10 JJGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@H](Cl)c1c(Br)sc(Br)c1Br 2054225755 FWTDQVYTOWSFSW-MZEQXDKDSA-N 499.471 4.606 50 10 JJGE O=C(CBr)c1cc(OC(F)(F)F)cc(I)c1C(F)(F)F 2055155134 FMRSVDWQNPQJOI-UHFFFAOYSA-N 476.936 4.786 50 10 JJGE Brc1cc(I)cnc1N1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2069531548 JWJMWVWOQUZNEX-LNLATYFQSA-N 485.989 4.591 50 10 JJGE FC(F)(F)c1c(I)c(CBr)nn1-c1cc(C2CC2)ccn1 2078923423 AEUKDLGKBSVMGH-UHFFFAOYSA-N 472.046 4.663 50 10 JJGE O=C(NC1CCC(CBr)CC1)c1cccc(Br)c1Br 2092339124 APKGSXGNKAWBSG-UHFFFAOYSA-N 454.000 4.895 50 10 JJGE CCn1cc(Br)c(COc2cccc(Br)c2CBr)n1 2124740642 AQYTWYAKQLHWFC-UHFFFAOYSA-N 452.972 4.902 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@@H](Br)C(F)(F)CC1 2150020098 XUTBNTMNIHAFKI-LLVKDONJSA-N 475.953 4.846 50 10 JJGE C[C@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(Cl)c(CBr)c1 2179790878 JWGYMOJOAUFNMQ-INIZCTEOSA-N 471.848 4.520 50 10 JJGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N(C)C1CC(OCc2ccccc2)C1 2179859519 FNFCAOKFWMDRQN-UHFFFAOYSA-N 472.832 4.912 50 10 JJGE ClC[C@H]1CN(c2ncc(I)cc2Br)Cc2ccccc21 2189904288 TYESWJQXOYEWKK-NSHDSACASA-N 463.544 4.791 50 10 JJGE O=C(NC[C@@]1(CCl)C[C@H]1C(F)(F)F)c1cc(Br)sc1Br 2192571744 DXUYFONZRWUBOP-LDWIPMOCSA-N 455.521 4.810 50 10 JJGE C[C@@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1ccc(CCl)c(Br)c1 2197755449 SVGOWLAJAZYRFV-FQEVSTJZSA-N 472.832 4.948 50 10 JJGE COc1cc(F)c([C@H](Br)c2c(Br)nn(C)c2C)cc1Br 2202902834 WHOORUIWTIJMIX-LBPRGKRZSA-N 470.962 4.886 50 10 JJGE COc1c([C@H](Cl)c2cnn(C)c2I)cc(Br)c(C)c1C 2284587212 ZQYIBHGTKUEDPA-LBPRGKRZSA-N 469.548 4.741 50 10 JJGE COc1ccc([C@H](Br)[C@@H]2C[C@@H]2C2CCOCC2)cc1I 2285002311 LSCYXWUVQLLMRB-IOASZLSFSA-N 451.142 4.799 50 10 JJGE N#CC(=Cc1ccc(OCC(=O)O)c(Br)c1)C(=O)Nc1ccc2ccccc2c1 2294146995 QQYOOFOFRNODRM-UHFFFAOYSA-N 451.276 4.611 50 10 JJGE CCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)cc1 2314740704 LXHCQEOZFMZNBZ-UHFFFAOYSA-N 486.524 4.919 50 10 JJGE Cc1cc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)ccc1Br 2314755109 SWBUALVWPNHPDQ-UHFFFAOYSA-N 495.329 4.558 50 10 JJGE N#CC(=CNc1ccccc1Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)O)cc1 2324191900 KFHIGAGYCIWVGG-UHFFFAOYSA-N 451.529 4.543 50 10 JJGE N#CC(=C(O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(F)c(F)c2)cs1 2331352302 DSXFYSQGNDXKEV-UHFFFAOYSA-N 470.457 4.783 50 10 JJGE C[C@H]1[C@H](C)N(C(=O)Cc2cc(Br)cc(Br)c2)CC[C@H]1Br 2370659807 SETDQJNHGKPXMP-PKFCDNJMSA-N 468.027 4.775 50 10 JJGE Cc1ccc(Cl)cc1Nc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40592899 UUGAJMHGPRVONT-UHFFFAOYSA-N 497.726 4.919 50 10 JJGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825868 CHWJRBNNEBGDRL-UQRQXUALSA-N 478.552 4.805 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 40869964 BNPFTNKDMITDGR-YBFXNURJSA-N 491.887 4.699 50 10 JJGE CCOc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccc(Br)cc2)cc1O 96095866 AFFXUPRDIRATQS-AFUMVMLFSA-N 469.335 4.896 50 10 JJGE O=C(NC[C@H]1CCCC[C@H]1Br)c1cc(Br)ccc1Br 161221567 KXNHCZGTPFXFRP-BXKDBHETSA-N 454.000 4.895 50 10 JJGE C[C@@H](Br)C[C@@H]1CCCN1C(=O)c1ccc(I)c(Cl)c1 311395995 ZOKHXDVKGOMIMC-KOLCDFICSA-N 456.549 4.723 50 10 JJGE O=C(Nc1ccc(I)cc1Br)[C@H](Cl)c1ccccc1 311743003 RABYEPVQLLHYGM-CYBMUJFWSA-N 450.501 4.972 50 10 JJGE Brc1cncc(Br)c1[C@@H]1CCC[C@H](CI)O1 394578192 TYZWPYORVJTUGC-XCBNKYQSSA-N 460.935 4.652 50 10 JJGE CN(C[C@H]1CCC[C@H]1Br)C(=O)c1cc(Br)ccc1Br 689220302 VVIAIUJPXKPHBM-BXKDBHETSA-N 454.000 4.847 50 10 JJGE COc1ccc(Oc2nc3sccn3c2CBr)cc1I 712920608 VSQQXIGLGFPMOI-UHFFFAOYSA-N 465.110 4.696 50 10 JJGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 823684444 VZFDJMNLPZUYQQ-UHFFFAOYSA-N 462.424 4.800 50 10 JJGE COc1cc(C=NNC(=O)c2cc(C3CC3)nc3ccccc23)cc(Br)c1OC 1084341027 ZBBYOKNKWJUFDD-UHFFFAOYSA-N 454.324 4.656 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCC 1084501897 DPDAVYZKVCFKCF-WOJGMQOQSA-N 482.378 4.994 50 10 JJGE C=CCC[C@H](NC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 1680634011 WIKDUSSKMLHXFP-LIRRHRJNSA-N 453.436 4.650 50 10 JJGE Cc1cc(C)c(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)c(C)c1 1858687289 JKVKNUPQBZFWFG-KRWDZBQOSA-N 464.478 4.932 50 10 JJGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696235 KXTRECVXYSXPSA-FQEVSTJZSA-N 465.351 4.820 50 10 JJGE CCc1nn(CC(C)C)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701360 UAPNLZOQKGXBLE-HNNXBMFYSA-N 496.203 4.550 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1 1865713100 QSFFSRREEFUQRQ-INIZCTEOSA-N 491.267 4.880 50 10 JJGE C[C@@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)CC1=O 1872750660 JAHHYKFLDXUQLL-PTQDJSQFSA-N 473.554 4.984 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)cc1F 1872752836 VMSSFTWNHCXWAH-FXBPSFAMSA-N 463.490 4.912 50 10 JJGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)CNS(=O)(=O)c2ccc(C)cc2)n1 1872757270 XTCACXQIHWHRJU-JZJYNLBNSA-N 490.006 4.860 50 10 JJGE CC1(C)[C@@H](Br)CCCN1C(=O)c1ccc(Br)cc1Br 1887813173 CWRYINHDADOUCJ-LBPRGKRZSA-N 454.000 4.990 50 10 JJGE ClCc1nc2cc(I)ccc2n1Cc1csnc1Br 1926854147 BVPBUFMHYAWYIZ-UHFFFAOYSA-N 468.545 4.647 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2CC[C@H](Br)[C@H]2C1 2027643846 WFPQZEKYDHXIOH-XVYDVKMFSA-N 458.013 4.519 50 10 JJGE Cc1cc(-n2nc(CBr)c(I)c2C(F)(F)F)cnc1Cl 2078930906 BXRGVPPMSYBDNQ-UHFFFAOYSA-N 480.453 4.747 50 10 JJGE C[C@H]1C[C@H](CCl)CCN1C(=O)c1cc(Br)ccc1I 2115836898 PACSOURSCWTFRM-VHSXEESVSA-N 456.549 4.533 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@H]2CC[C@H](Br)[C@H]1C2 2150492887 GEEHCRIWBSPPJT-GBIKHYSHSA-N 466.011 4.990 50 10 JJGE O=C(N[C@@H]1CCCC[C@H]1CCCl)c1ccc(Br)cc1I 2207262293 QAKNPXOGAOSTGM-IINYFYTJSA-N 470.576 4.971 50 10 JJGE Cc1ccc(C(=O)N2CCCC(C)(C)[C@H]2CBr)cc1I 2232838313 DWNHTSOKCDAKMI-CQSZACIVSA-N 450.158 4.625 50 10 JJGE CCCOc1ccc([C@@H](Br)c2nn(C)nc2Br)cc1Br 2235268096 BZQQUAQXVKYDLC-LLVKDONJSA-N 467.987 4.613 50 10 JJGE CC1(C)CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@H]1CCBr 2238947001 GSRVCSUQYWVVMH-MRVPVSSYSA-N 465.660 4.596 50 10 JJGE Cc1ccccc1CCOC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2263389749 SQNYCQUTICLART-UHFFFAOYSA-N 459.368 4.759 50 10 JJGE C[C@H](Br)CN(C(=O)c1c(Br)cccc1Br)C1CCC1 2272440788 DEYKLNFXEXAVDW-VIFPVBQESA-N 454.000 4.990 50 10 JJGE C[C@@H](Cl)CN(C(=O)c1cc(Br)ccc1I)C(C)(C)C 2272449884 DSPTZVVDAOEMJZ-SECBINFHSA-N 458.565 4.922 50 10 JJGE CN(C(=O)Cc1cc(Br)cc(Br)c1)[C@H](CBr)CC1CC1 2295313416 JMRQRYIDQPBHSQ-AWEZNQCLSA-N 468.027 4.776 50 10 JJGE O=C(N[C@H](CCCl)COCc1ccccc1)c1ccc(Cl)cc1I 2303706765 ISPBJXYFOUHCKC-OAHLLOKOSA-N 478.157 4.889 50 10 JJGE N#CC(=Cc1cn(CCOc2ccccc2)c2ccc(Br)cc12)C(=O)NC[C@@H]1CCCO1 2313624021 IKYXOXBBIXELBL-QFIPXVFZSA-N 494.389 4.685 50 10 JJGE O=C(NCC(F)(F)C(F)(F)CBr)c1cc(Br)c(Br)s1 2336541143 JRIYUIBNPFWGHX-UHFFFAOYSA-N 491.924 4.668 50 10 JJGE CCN(C[C@@](C)(CI)OCC1CC2(C1)CC(OC)C2)C(=O)OC(C)(C)C 2353035219 CQBCSAKWMZGITB-VYJHHOQDSA-N 481.415 4.659 50 10 JJGE CC(C)CO[C@@H]1[C@H](Cl)C[C@H]1OCc1cc(I)ccc1Br 2367611460 PIFQXBGNLUVHPC-RBSFLKMASA-N 473.576 4.991 50 10 JJGE CN(Cc1c(Br)c(Br)nn1C)C[C@@](C)(CBr)C(C)(C)C 2380163586 GGTRITIENXPMSU-CQSZACIVSA-N 474.079 4.824 50 10 JJGE CC[C@H](C)Oc1cccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 10662938 QUKNVYKKARQZGI-HNNXBMFYSA-N 477.399 4.764 50 10 JJGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCC)c(OC)c2)c(OCC)c1 33378277 DZFBYQBSEADUID-ZXTVHIMQSA-N 465.502 4.581 50 10 JJGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(F)cc1 39850265 MVLDAWXFBCLCIY-WSDLNYQXSA-N 473.485 4.745 50 10 JJGE Cc1ccc(C)c(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])c1 40592209 HKQFHZAMABCNKE-UHFFFAOYSA-N 477.308 4.574 50 10 JJGE O=C(NNc1ncnc(Nc2cccc3ncccc23)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40658797 XHCYOXGEGZIBOV-UHFFFAOYSA-N 470.276 4.740 50 10 JJGE COc1c(C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)ccc2ccccc12 59147395 NSOZQJUTACEHMX-WPWMEQJKSA-N 474.538 4.688 50 10 JJGE O=C(Oc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(CCBr)cc1 144368293 YVWVJRQOIPZQMI-UHFFFAOYSA-N 460.349 4.644 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CCCC[C@H]1CCBr 161196449 GNPAPRUYTAXUJY-NSHDSACASA-N 454.000 4.991 50 10 JJGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2)cc1 205641954 RKDZBBBUUIHABL-YYOFQBFWSA-N 454.482 4.541 50 10 JJGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3F)nnc2-c2ccc(C)cc2)cc1 254557730 PXKDRMDPAOETAU-UHFFFAOYSA-N 475.549 4.633 50 10 JJGE CCOc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1 382728248 SBHVNOFTUZEFHQ-UYAOXDASSA-N 465.331 4.873 50 10 JJGE C[C@H]1CCCN(C(=O)c2cc(I)ccc2Br)[C@@H]1CCl 688668607 VCXNEDKCCQHWCG-TVQRCGJNSA-N 456.549 4.533 50 10 JJGE C[C@@H]1CCN(C(=O)c2cc(Br)c(Br)s2)C[C@H]1CBr 700414015 DMYADGUAZCMENI-HTQZYQBOSA-N 460.029 4.766 50 10 JJGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccccc2)c(Br)c1 1084064008 QSPWTVMQPZBJPQ-QFIPXVFZSA-N 467.363 4.992 50 10 JJGE CCOc1cc(C=NNC(=O)[C@H]2COc3ccccc3O2)ccc1OCc1cccc(Cl)c1 1084257282 NIMLPKAXABYSES-XMMPIXPASA-N 466.921 4.608 50 10 JJGE O=C(NN=C1c2ccccc2C[C@H]1NC(=O)c1ccccc1F)Nc1ccc(OC(F)(F)F)cc1 1088723042 YXORUFRXRLESBX-HXUWFJFHSA-N 486.425 4.605 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccccc1F)C(C#N)=C(N)O2 1865681480 OIPKREVSGLURRX-IBGZPJMESA-N 453.315 4.945 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)ccc1OCc1ccc(C)cc1 1865687872 CBQOGACCXUJAQV-FQEVSTJZSA-N 484.478 4.943 50 10 JJGE CSCC[C@@H](NC(=O)Cc1nc(-c2ccc(F)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866662250 SIFPANDNOWNWFE-HXUWFJFHSA-N 498.605 4.781 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1 1867049991 HRPQMMYVVRNPET-SGNDLWITSA-N 459.546 4.869 50 10 JJGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2C(=O)NC2CCCCC2)n1 1868278118 SLNHWYYWTXBBNI-FQEVSTJZSA-N 450.612 4.773 50 10 JJGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cccc(Br)c1 1915073845 KKILIYPQELXPHO-HNNXBMFYSA-N 461.219 4.814 50 10 JJGE CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2cc(CCl)ccc2Br)CO1 1915481240 NNKRJPHDWNXOHA-QGZVFWFLSA-N 472.832 4.946 50 10 JJGE CC1(C)CC[C@H](Br)[C@@H](CNC(=O)c2cccc(I)c2)C1 1927048431 FFEDWQVPSKKVEZ-OCCSQVGLSA-N 450.158 4.611 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H]2[C@@H](Br)CC[C@H]2C1 2027643847 WFPQZEKYDHXIOH-ZQARSLAVSA-N 458.013 4.519 50 10 JJGE O=C(N[C@H]1CCC[C@@H]1CCBr)c1scc(Br)c1Br 2030115831 FDAGOFCUGSWFAO-APPZFPTMSA-N 460.029 4.957 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CCC2(CC1)C[C@@H]2CBr 2092481344 MMAFFGDWKIMBAQ-MRVPVSSYSA-N 472.040 4.910 50 10 JJGE CCCC(CBr)(CCC)CN=[S@]1(=O)CC[C@H](CNC(=O)OC(C)(C)C)C1 2106781200 FXPIWXHCAKNONT-DXPJPUQTSA-N 453.487 4.981 50 10 JJGE CC(C)[C@H]1[C@H](Br)CCN1C(=O)c1cc(Cl)ccc1I 2126104084 ZOCHYYBEALTUAZ-YPMHNXCESA-N 456.549 4.579 50 10 JJGE CC1(C)C[C@@H](CCl)CN1C(=O)c1ccc(I)c(Br)c1 2127821044 DSLIRAXPTUQIEV-VIFPVBQESA-N 456.549 4.533 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CCC2(CC1)C[C@H]2CBr 2148909618 KOYYKVICRZJOEN-JTQLQIEISA-N 468.560 4.582 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC2(CC[C@@H]1CBr)CC2 2154165703 FCRRVVKZDYFLED-CYBMUJFWSA-N 466.011 4.991 50 10 JJGE COc1ccc(Br)c(C(=O)N[C@H](C)CCCCCI)c1 2174527068 PCQQSNQXTSNVAK-LLVKDONJSA-N 454.146 4.571 50 10 JJGE CN(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cc(CBr)ccc2Cl)C1 2179789700 UPEMLIARMCVYCC-GOSISDBHSA-N 471.848 4.520 50 10 JJGE CCOc1ccc(S(=O)(=O)N(Cc2ccccc2)CC(F)(F)F)cc1CBr 2179827735 IPNAZQSXHUJQPT-UHFFFAOYSA-N 466.319 4.733 50 10 JJGE O=S(=O)(c1cc(Cl)cc(CBr)c1F)N1CCC(OCc2ccccc2)CC1 2179861346 GCFATRBDRUZJSB-UHFFFAOYSA-N 476.795 4.744 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Cl)C2)c1ccc(I)c(Br)c1 2204574069 KORCGRGPDHSXNY-VWBVRBGYSA-N 468.560 4.580 50 10 JJGE CN(C(=O)c1cc(I)ccc1Br)[C@@H](CCl)CC1CC1 2226154738 GDPXLWPYPILXFS-LLVKDONJSA-N 456.549 4.533 50 10 JJGE COC[C@]12C[C@]([C@@H](Br)c3cc(Br)c(Br)cc3F)(CO1)C2 2233977504 VNXVPHRURFNZMH-IHRRRGAJSA-N 472.974 4.982 50 10 JJGE CC1(C)C[C@H](Br)CCN1C(=O)c1ccc(Cl)c(I)c1 2268350267 BQCHUASDORQAEW-SNVBAGLBSA-N 456.549 4.723 50 10 JJGE BrCCCC1CN(Cc2ccc(I)c(Br)c2)C1 2306219200 JPVBITWMNJLUIC-UHFFFAOYSA-N 472.990 4.661 50 10 JJGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(C)c(C)c1 2314593705 RPGMZJAKFCPXQF-NRFANRHFSA-N 451.979 4.685 50 10 JJGE CC(C)[C@H]1C[C@@H](Br)CN1C(=O)c1cc(Br)ccc1Br 2344609926 AJUNXXHUBGEBGI-ZWNOBZJWSA-N 454.000 4.846 50 10 JJGE CN([C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12)S(=O)(=O)c1ccsc1CBr 2357092406 WMDNJCSIIWLDRW-MHORFTMASA-N 470.454 4.647 50 10 JJGE CCOc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)CCN4CCCCl)C(O)=NC2=S)cc1 2588265 IXGWOBSCXCBWCP-HMMYKYKNSA-N 469.994 4.748 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1c(F)cccc1Cl 38680221 JCNDKRQRUODVCY-QFIPXVFZSA-N 495.850 4.590 50 10 JJGE COc1ccc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1O 40951444 SHABVMVEJBMMKN-ZVHZXABRSA-N 463.372 4.770 50 10 JJGE CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OC 59483933 JQQGZPSNHMHSBF-OQLLNIDSSA-N 462.287 4.553 50 10 JJGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/Nc1ccc([N+](=O)[O-])cc1Br 101233553 ZQMUNBNEKOLKGS-QCUKBLKESA-N 481.306 4.623 50 10 JJGE COc1cc(C=NNC(=O)COc2cccc(C)c2)ccc1OC(=O)c1cccc(Br)c1 254485878 PGDCKYKFNBNYJJ-UHFFFAOYSA-N 497.345 4.514 50 10 JJGE O=C(NN=Cc1c(O)ccc2ccccc12)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 254493262 MBXVGPASEIGECZ-UHFFFAOYSA-N 464.569 4.632 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CI)O[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 303741135 HCDSSOKKRWELAR-SPLQCWDRSA-N 451.389 4.936 50 10 JJGE CC1(C)CN(C(=O)c2ccc(I)c(Cl)c2)CC[C@H]1Br 311918868 BGALRWOWFDASFH-GFCCVEGCSA-N 456.549 4.580 50 10 JJGE C[C@@H]1CN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)C[C@@H](C)O1 725238475 UENKHEZHXVCRBN-PJIJBLCYSA-N 474.932 4.716 50 10 JJGE COc1ccc(CN(C)C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1OC 818031961 AFIJLAVFSMUFOG-XSFVSMFZSA-N 489.963 4.700 50 10 JJGE Cc1nc(-c2cccc(NC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccc(Cl)cc3)c2)n[nH]1 918656011 DIIGNMAKXWVOMB-UNOMPAQXSA-N 482.935 4.756 50 10 JJGE CC(=NNC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc(I)cc1 1084060534 FQYVNLLWYKJSST-LBPRGKRZSA-N 458.752 4.966 50 10 JJGE CCOc1cc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)ccc1O 1614703423 GIBBVIAIQXRSLK-QZTJIDSGSA-N 481.330 4.578 50 10 JJGE Cc1c(C(=O)NC2CCCC2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772750309 ZSSJJXBAJVXEGO-UHFFFAOYSA-N 478.376 4.803 50 10 JJGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2O)CCC3)ccc1Cl 1772752037 SBONHWUEXBYUIH-UHFFFAOYSA-N 452.894 4.945 50 10 JJGE CCCC(=O)O[C@@]1(C(=O)CCl)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@]3(F)C(=O)C[C@]21C 1857788735 FBRAWBYQGRLCEK-CPOXNLPVSA-N 478.988 4.701 50 10 JJGE N#CSc1ccc(NC(=O)c2ccnc(NC(=O)c3ccccc3Br)c2)cc1 1860504728 OHCCDBRYZUVPRQ-UHFFFAOYSA-N 453.321 4.922 50 10 JJGE CCCc1nn(CC)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865696057 WSKHFOPFCWGIJG-DEOSSOPVSA-N 458.562 4.970 50 10 JJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1 1865709469 VRMKURRRAWBAHX-INIZCTEOSA-N 474.826 4.549 50 10 JJGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)CCCc2ccc3c(c2)OCCO3)c2ccccc2)cc1 1866789444 LTGDWXDEAYGCNW-SANMLTNESA-N 487.581 4.850 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4ccccc4C3=O)n2)cc1Cl 1872757444 GNEQHDRBCRJADZ-MNDPQUGUSA-N 465.918 4.951 50 10 JJGE CC(C)[C@H](CBr)N(Cc1ccccc1)c1ncc(I)cn1 1915296576 VYPMQVUHHDSMPX-HNNXBMFYSA-N 460.157 4.507 50 10 JJGE O=C(N[C@H]1CCC[C@@H]1CCBr)c1cc(Br)sc1Br 2030108876 BFKXILUHIHMWOY-APPZFPTMSA-N 460.029 4.957 50 10 JJGE O=S(=O)(C[C@@H](Br)c1scc(Br)c1Br)N1CCCCC1 2089400947 VXQTUSLGHPOZRP-SECBINFHSA-N 496.084 4.525 50 10 JJGE O=C(N[C@H]1CCCC[C@@H]1CCBr)c1ccc(F)cc1I 2146720608 UVJUXHHJTLOXTE-YGRLFVJLSA-N 454.121 4.504 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N[C@@H](C)[C@H](Br)C(C)C)cc1Br 2159246860 SQKOOUUPUMRWCT-TVQRCGJNSA-N 492.071 4.606 50 10 JJGE O=C(c1cc(I)ccc1Br)N1C[C@H](Cl)CC12CCCC2 2241028720 DFVBACCZYKSRFX-SNVBAGLBSA-N 468.560 4.820 50 10 JJGE CC(C)[C@@](C)(CBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277936860 PJOZMJNTDUOFKH-CQSZACIVSA-N 456.016 4.680 50 10 JJGE COc1ccc(CCN2C(=O)C(=CNc3cccc(Cl)c3Cl)C(C)=C(C#N)C2=O)cc1 2314579201 MJTPLNFGNYWLKK-UHFFFAOYSA-N 456.329 4.749 50 10 JJGE COc1cc(OC)cc(C(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)c1 2331412702 YUPXDGQVCBREQY-UHFFFAOYSA-N 454.504 4.803 50 10 JJGE CCC(CC)(CBr)CN(C)Cc1c(Br)c(Br)nn1C 2338944790 PQSMAILERUXIFD-UHFFFAOYSA-N 460.052 4.578 50 10 JJGE Cc1c(C(=O)N2CCCC[C@H]2C)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811734 WZTIDPYHSVCYDQ-HUEFVVPSSA-N 472.383 4.836 50 10 JJGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812105 CZMXDADOJNNVTD-TURZUDJPSA-N 455.470 4.531 50 10 JJGE CCOC(=O)c1c(NC(=O)N/N=C/c2ccc(O)c(Br)c2)sc2c1CC[C@@H](C)C2 40851452 VHGRVRAXFZOXGQ-WMJRALALSA-N 480.384 4.673 50 10 JJGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1cccc([N+](=O)[O-])c1 58890334 RGGPYSAKMMOFDN-MFSPXNBESA-N 477.517 4.536 50 10 JJGE C/C(=N/NC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1cccnc1 59886818 QFSLBUWZFSUXOJ-SWKFRHMKSA-N 498.608 4.627 50 10 JJGE CC(C)Oc1ccc(/C=N\NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cc1Cl 169920309 QDVAVCRDQSSZFR-ZMFRSBBQSA-N 458.345 4.755 50 10 JJGE CCCC(=O)[C@@H](Br)Cc1cc(Br)ccc1I 300908899 PZOOHPOMJRJRRD-JTQLQIEISA-N 459.947 4.729 50 10 JJGE Fc1cccc(-n2c(CCl)nc3cc(Br)cnc32)c1I 380426198 LDBLRQSQSHOPLO-UHFFFAOYSA-N 466.479 4.666 50 10 JJGE C[C@@H]1CC[C@@H](CBr)CN1C(=O)c1cc(Br)c(Br)s1 688645292 PUZCWYRWTFUWLR-SFYZADRCSA-N 460.029 4.909 50 10 JJGE CC1CCC(CCl)(NC(=O)c2ccc(I)c(Br)c2)CC1 721573202 PBOOAYVICSOYFH-UHFFFAOYSA-N 470.576 4.971 50 10 JJGE CCCOc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc([N+](=O)[O-])c1 916247150 DENIKVQTBMLNAS-UHFFFAOYSA-N 485.132 4.673 50 10 JJGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 1084644850 FBCMATCSBLHYID-QFIPXVFZSA-N 496.947 4.590 50 10 JJGE CCOC(=O)c1c(NC(=O)NN=Cc2ccc(O)c(Br)c2)sc2c1CC[C@H](C)C2 1772753112 VHGRVRAXFZOXGQ-NSHDSACASA-N 480.384 4.673 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1cccc(Br)c1 1865684216 NPSXLBGQSIROSC-FQEVSTJZSA-N 470.330 4.915 50 10 JJGE Cc1ccc(O)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)c1 1865687745 ZHKNPVLDRXJCJS-QHCPKHFHSA-N 452.489 4.970 50 10 JJGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706164 PFUJVRBLAZTIFH-FQEVSTJZSA-N 467.888 4.803 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706209 QEIIHEKPVUCXHA-XMMPIXPASA-N 498.514 4.678 50 10 JJGE Cc1[nH]nc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)c1-c1ccccc1 1867276621 IHJSMDAVALLTLY-HSZRJFAPSA-N 497.580 4.644 50 10 JJGE O=S1(=O)CC([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 1899885856 YRSUNHSTNICZDS-QGZVFWFLSA-N 460.187 4.509 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C 2010828958 OHYBSTGAWVBIEO-BRWVUGGUSA-N 475.721 4.516 50 10 JJGE COCc1cc(Br)c([C@H](Br)c2cn(C)nc2Br)s1 2052974610 ADYSTROSOGZGSO-SECBINFHSA-N 459.001 4.637 50 10 JJGE Clc1cc(CN2CCS[C@@H](CCBr)C2)ccc1I 2086658831 QPMZFFQEICBXDK-NSHDSACASA-N 460.606 4.647 50 10 JJGE O=C(N[C@H](CBr)C1CCCC1)c1cccc(Br)c1Br 2092329628 YQOFRSYEMIVMPM-GFCCVEGCSA-N 454.000 4.895 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Br)cc(Br)c2)CC[C@@H]1CBr 2109034929 VMPVBNXAGHPSBO-NXEZZACHSA-N 454.000 4.705 50 10 JJGE CC(C)(C#N)OCCOc1c(Br)cc(Br)cc1CBr 2111398480 HPCCFBJMXNATNV-UHFFFAOYSA-N 455.972 4.804 50 10 JJGE C[C@H](NC(=O)c1cccc(Br)c1Br)[C@H]1CCC[C@H]1Br 2111554368 HDUODZPFDCINIR-IQJOONFLSA-N 454.000 4.894 50 10 JJGE CO[C@H](COc1c(Br)cc(Br)cc1CBr)[C@@H]1CCOC1 2150288154 QLIBVFGMNQINEF-NOZJJQNGSA-N 472.999 4.537 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1C[C@@H]2CCC[C@]2(CBr)C1 2159409227 POVRBYWKLIWXKG-BONVTDFDSA-N 468.560 4.582 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](Cl)CCC12CCC2 2174532242 IHFMLAOVAZLRKL-LLVKDONJSA-N 468.560 4.820 50 10 JJGE C[C@@H](Br)CN1CCCN(Cc2c(Br)cccc2Br)CC1 2176828720 QHSZWSBTLOGJCN-GFCCVEGCSA-N 469.059 4.503 50 10 JJGE COC[C@@H](Br)Cc1sc(Br)c(Br)c1Br 2209976989 OTSKBHLVCSNSRQ-BYPYZUCNSA-N 471.834 4.988 50 10 JJGE C[C@@]1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)COCCO1 2272747105 GMELKZUISVZSIW-NEPJUHHUSA-N 464.926 4.731 50 10 JJGE C=CC[C@]1(CBr)CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 2287847204 UTXLMVDEQNYYJP-GFCCVEGCSA-N 463.644 4.516 50 10 JJGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Br)c(I)o2)c1 2293104173 MVMWDASXAYIOGA-UHFFFAOYSA-N 457.065 4.501 50 10 JJGE COc1cc(C=C2SC(=S)N(c3ccccc3)C2=O)ccc1OCCBr 2293456925 FTYIQSWBDPMITP-UHFFFAOYSA-N 450.379 4.875 50 10 JJGE COC(=O)c1cc(C)sc1NC(=O)C(C#N)=Cc1ccc(OCc2ccccc2)c(OC)c1 2295347940 UYVKMANIQJGAGG-UHFFFAOYSA-N 462.527 4.976 50 10 JJGE Cc1cc(Br)ccc1C(=O)N[C@@H](CCBr)COCc1ccccc1 2303538387 KAHBAVPNQSRDLR-KRWDZBQOSA-N 455.190 4.858 50 10 JJGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)c1nc2ccccc2n1C 2314436859 QMZFSYXXKXFLKF-UHFFFAOYSA-N 463.497 4.755 50 10 JJGE COc1c(Br)cc(Br)cc1C=C(C#N)c1cc2c(cc1[N+](=O)[O-])OCCO2 2331051641 VJKHMRKPGJXHMQ-UHFFFAOYSA-N 496.111 4.964 50 10 JJGE BrC[C@H]1N(Cc2ccc(Br)cc2Br)CC12CCOCC2 2381052347 PTUYEAVBOLFPGJ-CQSZACIVSA-N 468.027 4.588 50 10 JJGE N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc2c(c1)OCO2 3654447 MLGCSCNCKPVWNB-UZTOHYMASA-N 486.531 4.874 50 10 JJGE COc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1Br 14661704 YZZKNJUWUVBQAZ-UHFFFAOYSA-N 491.426 4.893 50 10 JJGE COc1ccccc1[C@H]1C(C#N)=C(N)OC2=C1S(=O)(=O)N(Cc1cccc(C)c1)c1ccccc12 20558608 LNGFJSGAWQTWNL-DEOSSOPVSA-N 485.565 4.530 50 10 JJGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(C)c3C)ccc21 38650537 KSUWSYNXFZRXOH-HHHXNRCGSA-N 470.525 4.905 50 10 JJGE CC(C)c1ccc(Oc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])cc1 40611037 XCMSHNIWGOAYCJ-UHFFFAOYSA-N 472.299 4.820 50 10 JJGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Oc1ccc(Br)cc1 40795024 COBNLIMCJBDOFR-UHFFFAOYSA-N 490.361 4.889 50 10 JJGE N#C/C(=C/c1ccc(OC(=O)CN2C(=O)c3ccccc3C2=O)cc1)c1nc2ccccc2s1 97542408 SZHRFDYDTNLKPU-LGMDPLHJSA-N 465.490 4.562 50 10 JJGE Br[C@H](c1csc(I)c1)c1ccc2c(c1)OCCCO2 124406961 HHWGTXLWNTXFSO-AWEZNQCLSA-N 451.123 4.998 50 10 JJGE CCCc1ccc(OCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1 206398332 PTARDDFRUJHVJQ-JLPGSUDCSA-N 484.552 4.855 50 10 JJGE Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)/C=C\c1ccc(Oc2cccnc2)c(F)c1 207065806 SWOIHCRBPQWJDF-BENRWUELSA-N 474.517 4.919 50 10 JJGE CC1(C)CN(C(=O)c2cc(Cl)ccc2I)CC[C@H]1Br 311984930 MPDKVDIJOZQFEY-GFCCVEGCSA-N 456.549 4.580 50 10 JJGE BrC[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(I)cc1 382684362 GUKLFQNUEZFJCN-AEFFLSMTSA-N 456.165 4.902 50 10 JJGE CC(C)(C)[C@@H](CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 393994556 XTQCYSUKARPPGR-SNVBAGLBSA-N 468.038 4.844 50 10 JJGE C[C@H](CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)N1CCc2ccccc2C1 914507410 FYGUHMFECKJEBR-ZOLHPDHPSA-N 499.018 4.587 50 10 JJGE COc1ccc(C(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)cc1OC 1084393560 RLACJZJVJPXDND-UHFFFAOYSA-N 456.340 4.638 50 10 JJGE O=[N+]([O-])c1ccc(Cl)c([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)c1 1614702690 SOLJGOQUBROIGD-WMLDXEAASA-N 456.711 4.899 50 10 JJGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1O 1772754968 DADCAJJPFKRWTJ-UHFFFAOYSA-N 478.393 4.529 50 10 JJGE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704964 JBESXWVCGNRZGV-RUZDIDTESA-N 476.536 4.931 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865712823 IZLCJWRZQIVDLV-QFIPXVFZSA-N 465.469 4.674 50 10 JJGE Cc1sc(CBr)cc1S(=O)(=O)N1CC[C@@]1(C)CCOCc1ccccc1 1892700268 JOEZGRAPOKHHOB-IBGZPJMESA-N 458.443 4.711 50 10 JJGE CC1(C)CC(CBr)(CN2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)C1 1903476018 YQXPIAXOETXGDS-UHFFFAOYSA-N 490.483 4.893 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@]2(CCC[C@@H]2Br)C1 1918960544 FONCQRROWWJENG-SWLSCSKDSA-N 466.011 4.991 50 10 JJGE CCN(C[C@@](C)(CI)OC1CC(C(F)(F)F)C1)C(=O)OC(C)(C)C 1947650571 MPGAIUBPIZPVOJ-KOHJWAIASA-N 465.294 4.795 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C12CCC2 2010829260 TUSQLAASOXOVNW-DLBZAZTESA-N 475.721 4.566 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 2013362156 ABRMTKKBCMDKHD-JTSKRJEESA-N 475.721 4.662 50 10 JJGE FC(F)COCC(CBr)(CBr)c1ccc(Br)cc1 2031859882 YSUSNVRNDWZCLE-UHFFFAOYSA-N 450.943 4.758 50 10 JJGE O=C(N[C@@H]1CCCC[C@H]1CBr)c1csc(Br)c1Br 2032953385 IKQRMOVKWWJISW-IONNQARKSA-N 460.029 4.957 50 10 JJGE FC(F)(F)c1ccnc(-n2nc(CBr)c(Br)c2C(F)(F)F)c1 2078912719 WHQLVOBKMWDJEB-UHFFFAOYSA-N 452.978 4.962 50 10 JJGE C[C@@H]1C[C@@H](Br)CCN(C(=O)c2cccc(Br)c2Br)C1 2103290401 ASVXWMVMGMNMAT-ZJUUUORDSA-N 454.000 4.847 50 10 JJGE COc1ccc([C@@H](Br)c2c(Br)nn(C)c2C)c(Br)c1 2131590585 QYOHFNYHKAFSOK-GFCCVEGCSA-N 452.972 4.746 50 10 JJGE CCC[C@@H](Br)CCNS(=O)(=O)c1cc(Br)c(C)cc1Br 2146566439 JMEJYMIMYJRYFH-SNVBAGLBSA-N 492.071 4.752 50 10 JJGE Cc1cccc(C(=O)NC[C@H](CBr)CC(C)(C)C)c1I 2156326612 PCJMZDMLDOSHER-LBPRGKRZSA-N 452.174 4.777 50 10 JJGE BrC[C@H]1CN(Cc2c(Br)cccc2Br)CC2(CCC2)O1 2165751566 HOPIDVHPBHEDKC-NSHDSACASA-N 468.027 4.730 50 10 JJGE O=S1(=O)CCC([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)CC1 2201612984 GTVUPLBESXHTCQ-JTQLQIEISA-N 452.542 4.642 50 10 JJGE O=C(NC[C@@H]1CCCC[C@H](Br)C1)c1c(F)cccc1I 2282795514 VJCUCPLGCLCBDN-MNOVXSKESA-N 454.121 4.504 50 10 JJGE N#CC(=Cc1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)C(=O)NC[C@@H]1CCCO1 2295672402 VCXVDNPYPXWVPK-NRFANRHFSA-N 453.464 4.911 50 10 JJGE N#CC(=Cc1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)NC1CC1 2297624628 RAHQBTXAXCGWGB-UHFFFAOYSA-N 476.168 4.976 50 10 JJGE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CCC2=NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2297708837 WMVYBBWDFRHJPT-FFHOAYQKSA-N 478.505 4.851 50 10 JJGE CCN(C[C@@](C)(CI)OC[C@H]1C[C@@H]2CC[C@H]1C2)C(=O)OC(C)(C)C 2298751532 NFEVNHYTUYNMFZ-YYAJDYIMSA-N 451.389 4.890 50 10 JJGE COC[C@]1([C@@H](Br)c2sc(Cl)cc2I)CCCO1 2301086449 ODCPZRHLQQWECG-QWRGUYRKSA-N 451.551 4.638 50 10 JJGE CC(C)(CI)CN1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 2306809108 GQWKONPVWDSOTN-UHFFFAOYSA-N 450.405 4.559 50 10 JJGE CC(C)[C@@H](CBr)N(C)C(=O)c1cc(Br)ccc1I 2318849127 MCMXCBCPQSXLHE-GFCCVEGCSA-N 488.989 4.545 50 10 JJGE CCOc1cc(C=NNC(=O)c2sc(=N)[nH]c2C)ccc1OCc1ccc(Cl)cc1Cl 2321664189 UXQDZPLMLDIOOQ-UHFFFAOYSA-N 479.389 4.912 50 10 JJGE CC(C)(CI)CN1CC[C@@H](CNC(=O)OC(C)(C)C)c2ccccc21 2326666866 GOMPQIBYCDFZDW-HNNXBMFYSA-N 458.384 4.966 50 10 JJGE Cn1cc(I)c(COc2c(Cl)cc(Cl)cc2CBr)n1 2341859169 IDRGLOWKOMGGEK-UHFFFAOYSA-N 475.939 4.805 50 10 JJGE CC(C)(C)N1C[C@H](Cc2ccc(I)c(Br)c2)[C@@H](Cl)C1 2349833554 GBWKZTKJWZVDIZ-AAEUAGOBSA-N 456.593 4.934 50 10 JJGE Cc1ccc(I)c(C(=O)N(C[C@H](C)Br)C2CCCC2)c1 2368839741 CINFZUPQQXQTEL-LBPRGKRZSA-N 450.158 4.768 50 10 JJGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccccc1OCCOc1ccccc1 14040622 IWGKNNICBAHEFK-HXUWFJFHSA-N 470.525 4.526 50 10 JJGE CC(C)COc1ccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1Br 14652870 RNWBGBGVEYKYHR-UHFFFAOYSA-N 497.389 4.991 50 10 JJGE O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nn(-c2ccc(F)cc2)c2c1CCCC2 21287530 GTBCPLLPVMCCKT-UHFFFAOYSA-N 463.391 4.574 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2O)CCC3)cc1Cl 40826387 VRBNWABRTZXRFQ-OVVQPSECSA-N 451.910 4.978 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(OCC)cc3)c2C)cc1 58894512 MFTYUVSHIFJLIP-SECKTWPTSA-N 463.578 4.855 50 10 JJGE COc1ccc([C@H](C(=O)NC2CCCCC2)N(CCc2ccc(C)cc2)C(=O)CCl)cc1OC 97914575 BUKMEQIIRSKVFZ-AREMUKBSSA-N 487.040 4.812 50 10 JJGE CCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OC)c(Br)c2)cc1 100153684 QQXNYJYEBACYIV-UHFFFAOYSA-N 463.372 4.882 50 10 JJGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)NC)cc1 101240449 TXBOTLPEKQHQKX-PSRBBBRCSA-N 460.386 4.728 50 10 JJGE C=CCN1C(c2ccc(F)cc2)=CS/C1=C(\C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 103433925 GHUVDEMKSSFCHX-YYDJUVGSSA-N 486.576 4.669 50 10 JJGE CCOC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OCC)c1 207810796 JMRRTGXOLGPDBQ-YBEGLDIGSA-N 462.424 4.592 50 10 JJGE N#C/C(=C/Nc1ccc(F)cc1F)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216508250 DOXZXBNZPISLQS-QOCHGBHMSA-N 458.512 4.718 50 10 JJGE O=C(NCCCCCI)c1cc(Br)sc1Br 232484994 BDTZOSWHJNSGMQ-UHFFFAOYSA-N 480.991 4.608 50 10 JJGE Cc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2cccc(Br)c2)cc1 254513952 OMFIZQBCCNLUGX-UHFFFAOYSA-N 467.319 4.506 50 10 JJGE CCC(=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1CC)c1ccc(O)cc1 254572206 GFDMTQQTKMOLRH-UHFFFAOYSA-N 465.623 4.991 50 10 JJGE COc1ccc(-n2c(SCC(=O)NN=C/C(C)=C/c3ccccc3)nc3ccccc3c2=O)cc1 254848084 AKUKWWUDURRHHT-BCXMZQODSA-N 484.581 4.692 50 10 JJGE Cc1ccc(NC(=O)C(=O)NN=Cc2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1 254853773 IIMHGMHWNISSBS-UHFFFAOYSA-N 465.509 4.765 50 10 JJGE COc1cccc(COc2ccc(Br)cc2C=NNC(=O)c2cc(OC)cc(OC)c2)c1 254878098 WUKVGAMTZXPBKP-UHFFFAOYSA-N 499.361 4.818 50 10 JJGE COc1ccc(/C=C\C(=O)Oc2ccc(C=NNC(=O)COc3c(C)ccc(C)c3C)cc2)cc1 254899038 UQSHNZUBLMSQQW-GYZRTNJFSA-N 472.541 4.768 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CCC(F)(F)[C@@H](CBr)C1 403903145 LRGRXOSOGPIZSC-LURJTMIESA-N 481.982 4.765 50 10 JJGE O=C(CBr)c1cc(Br)c(I)cc1C(F)(F)F 575690983 DDTLNFPFDSHIJZ-UHFFFAOYSA-N 471.836 4.650 50 10 JJGE C[C@@H](Br)C[C@@H]1CCCN1c1ncc(C(F)(F)F)cc1I 686113012 KMVKCPZNRVKJGB-SCZZXKLOSA-N 463.079 4.847 50 10 JJGE CCOc1ccc(Br)cc1[C@H](Br)c1nn(C)cc1Br 710306255 DUWSWZVCEUCTMK-LBPRGKRZSA-N 452.972 4.828 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@H]2CC[C@H](Br)[C@H]1C2 721566754 PSPYFIHPCSIMLV-LJWDBELGSA-N 466.011 4.990 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)NCCc2nc3ccccc3s2)c(-c2ccc(Cl)cc2)n1 818058520 AALOAZXCTCBBBU-NBVRZTHBSA-N 486.988 4.993 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2nnc(-c3ccco3)s2)c(-c2ccc(Cl)cc2)n1 818078936 CALBEBNJMFLZSA-PTNGSMBKSA-N 475.921 4.774 50 10 JJGE CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](CC(=O)OC)c2ccc(Br)cc2)c1C 837138674 BICTZIDIWOPYIA-PRWBYUBPSA-N 472.383 4.605 50 10 JJGE COC(=O)COc1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 1084078460 GNJFTKHSQGXILB-UHFFFAOYSA-N 497.551 4.777 50 10 JJGE O=C(COc1ccc(Cl)cc1Br)NN=Cc1cc(Cl)cc(Cl)c1O 1084470608 HSIZJWSZDNWERU-UHFFFAOYSA-N 452.519 4.644 50 10 JJGE C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 1084617568 YURTWCNDCFYMER-HMMYKYKNSA-N 496.405 4.668 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CCl)[C@H](c2ccc(Br)c([N+](=O)[O-])c2)C1 1614620873 FHNNJNNYPWOVRI-CVEARBPZSA-N 453.720 4.948 50 10 JJGE C[C@@H](Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccc(Cl)cc1 1858685522 QLOIDNPRAYHOQE-GFCCVEGCSA-N 474.832 4.799 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)ccc1OCc1ccc(C)cc1 1865695589 QDFFJOCUTPTNJT-RUZDIDTESA-N 458.562 4.962 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(C(=O)O)cc1 1865709540 XWTDKFPSQYSLJS-INIZCTEOSA-N 474.826 4.520 50 10 JJGE Clc1ccc(CO[C@H]2CCC[C@@H]2I)c(I)c1 1901605802 RJVLHMOZDWEEJS-JQWIXIFHSA-N 462.496 4.817 50 10 JJGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cccc(Br)c1F 1916384937 DZNVQUNNHKAXEL-CQSZACIVSA-N 459.153 4.641 50 10 JJGE CC1(C)C[C@@H](Br)CN(C(=O)c2cc(Br)cc(Br)c2)C1 1923164155 QZLKHHMAKLYLDF-GFCCVEGCSA-N 454.000 4.847 50 10 JJGE CN(C[C@H]1C[C@H]1Br)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2020201704 ULUNIKZRMUZNKY-VXGBXAGGSA-N 462.182 4.652 50 10 JJGE C[C@H](NC(=O)c1c(Br)cccc1Br)[C@H]1CCC[C@@H]1Br 2111556173 XAQPJVQRWPKVGX-AEJSXWLSSA-N 454.000 4.894 50 10 JJGE COc1ccc([C@H](Br)c2cc(I)sn2)c(OC)c1Cl 2120033362 SBXXBXCKAJPLHJ-JTQLQIEISA-N 474.545 4.903 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Br)C2 2190678336 LACXPPHCNJNWBZ-MHNYQROPSA-N 469.974 4.690 50 10 JJGE Brc1cccc([C@H](CI)OC[C@H]2C[C@@]23CCCOC3)c1 2198376503 HKHJKWLBMTUWBM-VNQPRFMTSA-N 451.142 4.759 50 10 JJGE CCn1cc([C@@H](Br)c2ccc3c(c2Br)CCO3)nc1Br 2238079653 NYWFROPLHNBTQR-ZDUSSCGKSA-N 464.983 4.847 50 10 JJGE COc1ccc(-c2csc(C(C#N)=CNc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)n2)cc1 2297482010 BRJWYXPVVLGCCQ-UHFFFAOYSA-N 493.570 4.893 50 10 JJGE Clc1cc(I)c([C@@H](Br)[C@@H]2COC3(CCC3)CO2)s1 2316793189 WCGIAXYSYVLMCX-WPRPVWTQSA-N 463.562 4.780 50 10 JJGE ClCc1csc(COCc2cc(I)ccc2Br)n1 2318983374 WMIBSPLDGPGXHZ-UHFFFAOYSA-N 458.546 4.966 50 10 JJGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3ccc(NS(C)(=O)=O)cc3)n2)cc1Cl 2331378568 BKSIAVGFGFDEHS-UHFFFAOYSA-N 491.978 4.802 50 10 JJGE C[C@@]1(CNC(=O)c2ccc(Cl)cc2I)CCC[C@@H]1Br 2340055781 BBSMSJQBCFEVDQ-JSGCOSHPSA-N 456.549 4.628 50 10 JJGE ClC1[C@H]2CCC[C@H]1CN(Cc1ccc(I)c(Br)c1)C2 2349824542 MYDZBYXAAPYFBJ-RYUDHWBXSA-N 454.577 4.893 50 10 JJGE COC[C@H](C)OC[C@@H](Cl)CCc1ccc(I)c(Br)c1 2349849076 ZPHBHYVNXIGBQV-JQWIXIFHSA-N 461.565 4.645 50 10 JJGE BrC[C@H](Cc1ccc(Br)cc1)Cc1ncc(I)cn1 2353297392 RAVJMYYHBHHQEB-LLVKDONJSA-N 495.984 4.640 50 10 JJGE CC[C@@]1(C)[C@@H](Br)CCN1S(=O)(=O)c1cc(Br)ccc1Br 2361895145 JWGKXEOIPBTQQU-STQMWFEESA-N 490.055 4.538 50 10 JJGE O=C(NNC(=O)c1cc(Br)ccc1OCCc1ccccc1)c1ccccc1Cl 14665531 FNGDQWWXKIWNRI-UHFFFAOYSA-N 473.754 4.799 50 10 JJGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccccc2C)cc1 39992855 FIPLFTCFJMQAET-XDJHFCHBSA-N 466.497 4.658 50 10 JJGE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1 39993095 NAGBMRQSAQUTFZ-XDJHFCHBSA-N 466.497 4.658 50 10 JJGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812695 RCRNIXQTDDYIAV-SGWCAAJKSA-N 461.949 4.910 50 10 JJGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1/C(=N/NC(=O)c1cccnc1)CCC2 40814170 LBPMIZLVCPFJAR-STBIYBPSSA-N 456.424 4.725 50 10 JJGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CC[C@@H](CCBr)C1 125210691 YYCHZERSJOQSSO-MRVPVSSYSA-N 466.022 4.552 50 10 JJGE CC(C)(C)[C@H](CCBr)NS(=O)(=O)c1cc(Br)ccc1Br 231187805 IFSWNWJFCFYEFB-LBPRGKRZSA-N 492.071 4.690 50 10 JJGE C[C@@H](Cl)C1CCN(C(=O)c2cc(Br)ccc2I)CC1 235148545 JUXGBLGCZIDVOM-SECBINFHSA-N 456.549 4.533 50 10 JJGE CCCCN(CCCC)CN1C(=O)C(=NNC(=O)c2ccc3ccccc3n2)c2ccccc21 254698233 SXDLYEHYNZFXCB-UHFFFAOYSA-N 457.578 4.575 50 10 JJGE CC[C@@H](Br)[C@@H](CC)NS(=O)(=O)c1cc(Br)c(C)cc1Br 313116396 OKHQMFLHACCXRH-BXKDBHETSA-N 492.071 4.750 50 10 JJGE O=C(c1scc(Br)c1Br)N(CCBr)CC(F)(F)F 707815482 IKUMQZUQZWFMNL-UHFFFAOYSA-N 473.934 4.673 50 10 JJGE C[C@H](NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)c1cccc(OC(F)F)c1 918575686 HWBUJDDXMUXZNM-NNIWKIFQSA-N 461.472 4.850 50 10 JJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NN=Cc3cc([N+](=O)[O-])ccc3O)cc2)cc1 1084494950 SKVZAQPWRMNURF-UHFFFAOYSA-N 460.490 4.614 50 10 JJGE C=C[C@@H]1OCCC[C@H]1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Br)cc2)c1C 1129171482 DCYWHTGWAFYLLH-QBZDTREQSA-N 454.368 4.613 50 10 JJGE CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Br)cc1CO[Si](C)(C)C(C)(C)C 1129281311 PLOMBTSISNBEHI-GOSISDBHSA-N 455.469 4.920 50 10 JJGE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1 1352315899 CANLNDQHVCDWMG-AHWVRZQESA-N 456.542 4.675 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865683620 GGBNJDZJURRMBY-HSZRJFAPSA-N 498.514 4.678 50 10 JJGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)cc1OCC 1865687029 HTORGIGJBLVODV-VWLOTQADSA-N 474.561 4.985 50 10 JJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc1 1865694313 SWJXQGMTJURGJR-XMMPIXPASA-N 479.540 4.950 50 10 JJGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc1OC 1865695954 ATXLIOLVOLRLOQ-XMMPIXPASA-N 462.525 4.785 50 10 JJGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1Cl 1865709849 ININPLVYAQTDTL-QGZVFWFLSA-N 460.843 4.830 50 10 JJGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(Br)cc1 1865714289 GGEJKZXZXFGFSW-SFHVURJKSA-N 451.324 4.559 50 10 JJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C)cc2)sc(C(=O)OCC(C)C)c1C 1866127297 VMUGCLRMQVUQBP-WOJGMQOQSA-N 454.548 4.900 50 10 JJGE C[C@H]1CC[C@@](CCl)(NC(=O)c2cc(I)ccc2Br)C1 1880882920 RMKHNYHEWGKBNW-LKFCYVNXSA-N 456.549 4.581 50 10 JJGE COc1cc(C)c([C@H](Br)c2cnn(C)c2I)cc1Br 1901679930 ZKUKXYPTDPXZQV-LBPRGKRZSA-N 499.972 4.589 50 10 JJGE Brc1cc(COC[C@H]2C[C@H](Br)C2)ccc1I 1904374373 RHSCSDQTWNZBLR-MGCOHNPYSA-N 459.947 4.744 50 10 JJGE CC[C@H](C)[C@@H](CI)NC(=O)c1cc(Br)sc1Br 2023038200 SRELNVDKYDKDHE-POYBYMJQSA-N 495.018 4.853 50 10 JJGE C[C@H](Cl)Cc1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2034338194 DKUSNKAGPGKIHP-LURJTMIESA-N 458.379 4.725 50 10 JJGE C[C@H]1CN(C(=O)c2cc(Br)c(Br)s2)CC[C@H]1CBr 2046678386 GKVWUEVJAFIYGI-YUMQZZPRSA-N 460.029 4.766 50 10 JJGE CCN1CCC[C@H]([C@H](Br)c2cc(Br)c(Br)s2)S1(=O)=O 2089534876 ILZIIPCGQXQJBO-NXEZZACHSA-N 496.084 4.523 50 10 JJGE C[C@H]1CC[C@@H](CBr)N(C(=O)c2cccc(Br)c2Br)C1 2110611823 JUXSYXDVDKWSBU-UWVGGRQHSA-N 454.000 4.847 50 10 JJGE F[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(I)c(Cl)c1 2142946157 ZENLVXOTAUTSFR-DMTCVQMQSA-N 458.540 4.783 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2CCC[C@]2(CBr)C1 2159409065 PBDPVSTZYBIKSB-BMIGLBTASA-N 466.011 4.849 50 10 JJGE O=S1(=O)CCc2cc([C@@H](Cl)c3cc(Br)c(Br)s3)ccc21 2170066062 FHGYUNIISMLATD-GFCCVEGCSA-N 456.608 4.931 50 10 JJGE CN(C(=O)c1ccc(F)cc1I)[C@@H]1CCCCC[C@H]1Br 2172545881 BKYJLDXOINSWCA-TZMCWYRMSA-N 454.121 4.599 50 10 JJGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCCC[C@H]1CCCBr 2206666059 HNSOYKWBZXPQIE-VIFPVBQESA-N 465.660 4.882 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(F)(F)F)CCN1CCCCCI 2220216390 SBVSMZNIVUAFMJ-KGLIPLIRSA-N 478.337 4.759 50 10 JJGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(Br)c(F)c1 2303544640 GOGYERWRIDQJIU-HNNXBMFYSA-N 459.153 4.688 50 10 JJGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1scc(Br)c1Br 2310046774 IXHAPOAYXSSSBP-XZMZPDFPSA-N 458.013 4.565 50 10 JJGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(OC)cc4)cs3)CC2=O)cc1 2331273547 OOWLLFQRNHPRHT-SFHVURJKSA-N 489.553 4.841 50 10 JJGE Brc1ccc([C@H](Br)[C@H]2COC3(CCC3)CO2)c(Br)c1 2338782603 GPSUFPDQTRGIRT-OLZOCXBDSA-N 454.984 4.986 50 10 JJGE COc1ccc2nc(N(/N=C/c3ccc([N+](=O)[O-])s3)C(=O)c3ccc([N+](=O)[O-])s3)sc2c1 9629535 YAZWSYMTKXPBNR-DJKKODMXSA-N 489.516 4.925 50 10 JJGE CCCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(Br)cc1Cl 14032701 BEYXGIVDRDTSAM-UHFFFAOYSA-N 483.790 4.902 50 10 JJGE CCCCOc1ccc(C(=O)NNC(=O)Cc2cccc3ccccc23)cc1Br 14041290 OBYUWDGICMHWJG-UHFFFAOYSA-N 455.352 4.785 50 10 JJGE CC(C)c1cc(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2cnn(C(C)C)c2n1 21286260 PAYRGRMBMAWMDG-UHFFFAOYSA-N 450.421 4.820 50 10 JJGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(F)cc1 33621112 MHVCOTHOPQIDNH-OEAKJJBVSA-N 487.512 4.788 50 10 JJGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)cc1 34746736 RISVCXXVZYKIQE-LANDENDNSA-N 470.573 4.920 50 10 JJGE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)c1 40812168 QUBBZAXZBXUXAF-NHFJDJAPSA-N 460.490 4.836 50 10 JJGE COc1cc(/C=N/NC(=O)COc2ccc(Br)c(C)c2)ccc1OCc1ccccc1 40911074 RJMKQDXWOHIKPY-VULFUBBASA-N 483.362 4.874 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Br)cc2)c(OC)c1 40967452 YWZSHZPBPWAZBD-SFQUDFHCSA-N 457.324 4.500 50 10 JJGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1 40988541 AVLJTFZOJOEQEG-FCDQGJHFSA-N 498.579 4.666 50 10 JJGE C=CCOc1c(CC=C)cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OCC 58895406 SJGQUJLCKBISDT-GWFILXCOSA-N 466.578 4.741 50 10 JJGE CCCOc1c(OC)cc(/C=N\NC(=O)c2ccc3nc(SC(C)C)[nH]c3c2)cc1OC 169917794 SRDOXYNINLROKD-CFRMEGHHSA-N 456.568 4.633 50 10 JJGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)cc1OCC 206510175 VAAQFVHSZOEVRU-YBVHWPNFSA-N 478.545 4.543 50 10 JJGE CC1CCC(CCl)(NC(=O)c2cc(I)ccc2Br)CC1 232829478 CNSLXRRAKZBXOM-UHFFFAOYSA-N 470.576 4.971 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CCCCC[C@H]1CBr 236065069 VJOBFZXDVBEEHD-NSHDSACASA-N 456.549 4.724 50 10 JJGE CCCCCCOc1ccc(C=NNC(=O)COc2cccc(Br)c2)cc1OC 252627839 SCKXRZYEIATYJC-UHFFFAOYSA-N 463.372 4.946 50 10 JJGE COc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1OC 263627527 JZPOKNVSBALSGG-UHFFFAOYSA-N 454.482 4.840 50 10 JJGE O=C(N[C@@H]1CCC[C@H](CCl)C1)c1cc(Br)ccc1I 302622614 QKMMDMAGCCKAAJ-GXSJLCMTSA-N 456.549 4.581 50 10 JJGE C[C@@H](Br)CC(C)(C)CNS(=O)(=O)c1cc(Br)ccc1Br 393580536 HGBMHCOWQLFBMA-SECBINFHSA-N 492.071 4.690 50 10 JJGE O=S(=O)(N[C@@H]1CCC[C@H](Br)C1)c1c(Cl)cc(Br)cc1Cl 703646330 KDCFIVVQOZTKOH-IONNQARKSA-N 466.022 4.740 50 10 JJGE Fc1cnc2c(c1)nc(CCCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705619997 WMPGIHREBCQLOP-UHFFFAOYSA-N 464.972 4.823 50 10 JJGE CC(C)c1ccc([C@@H](CNC(=O)NNC(=O)c2cccc3cccnc23)NC(=O)OC(C)(C)C)cc1 728953482 ZFDCNNFQZJRJBT-JOCHJYFZSA-N 491.592 4.568 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 1084094448 BSFIVQFZZWCYBK-OAHLLOKOSA-N 457.361 4.728 50 10 JJGE CN(C)C(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)c(I)c1 1084181078 OBTRQAIQCPXTJT-OQLLNIDSSA-N 466.706 4.519 50 10 JJGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865697287 ZFBIXKBEEPCZJD-LJQANCHMSA-N 481.350 4.520 50 10 JJGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)CC1=O 1872749844 KHLFSNOQLQBFGU-CYMZXICGSA-N 477.517 4.890 50 10 JJGE C[C@@H]1CN(C(=O)c2csc(Br)c2Br)C[C@@H](C)C1Br 2032953564 LQLZKWFTTXMFNW-RNFRBKRXSA-N 460.029 4.765 50 10 JJGE Cc1nn(C)c(Br)c1C[C@H](CBr)c1ccc(Br)cc1 2129308474 YUCCDXTVGBJKEO-LLVKDONJSA-N 451.000 4.975 50 10 JJGE COc1c(Br)cc(C)cc1[C@H](Br)c1nn(C)cc1Br 2139011449 PGAACNMIGLJWEH-NSHDSACASA-N 452.972 4.746 50 10 JJGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cnn(C)c1I 2141617625 UAQFFGJUHSOIBC-LLVKDONJSA-N 499.972 4.589 50 10 JJGE CC[C@@H](Br)[C@H]1CCCCN1C(=O)c1cccc(C)c1I 2170618025 YBPGBAZECPQYKH-ZIAGYGMSSA-N 450.158 4.768 50 10 JJGE C[C@@](CI)(OCCOCCC1CC1)c1ccccc1Br 2184231192 OHMQGPVSVJZACJ-INIZCTEOSA-N 453.158 4.933 50 10 JJGE COc1cc(F)c(Br)cc1[C@@H](Br)c1c(C)nn(C)c1Br 2185752872 XARXUXYBWBBYOP-GFCCVEGCSA-N 470.962 4.886 50 10 JJGE O=C(NC12CCC(CBr)(CC1)C2)c1cc(Cl)ccc1I 2189331001 KFBOHDAOCGLWQO-UHFFFAOYSA-N 468.560 4.772 50 10 JJGE CC1(C)CC[C@H](CBr)N1c1ncc(C(F)(F)F)cc1I 2205766315 CYTVZSAAULVMBN-SECBINFHSA-N 463.079 4.847 50 10 JJGE O=C(c1cc(Br)ccc1I)N1C[C@H](Br)CCC12CC2 2227507388 WCYIHSPONIYXPS-SNVBAGLBSA-N 498.984 4.586 50 10 JJGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C[C@H]1Br 2241644766 PHRLRRNRNNYHRE-ZGNKEGEESA-N 485.422 4.839 50 10 JJGE CC(C)CN(C[C@@H](C)Br)S(=O)(=O)c1cc(Cl)c(Br)s1 2272440171 WUSHMGBGVHYVOM-MRVPVSSYSA-N 453.649 4.594 50 10 JJGE C=CC[C@@]1(CBr)CCCN1C(=O)c1cc(Cl)ccc1I 2287794921 XEKZWVKUUJRDPB-HNNXBMFYSA-N 468.560 4.890 50 10 JJGE CC(C=Cc1ccccc1)=NNC(=O)COc1ccc(Br)cc1Br 2313574269 ZSOICLUSEVPAER-UHFFFAOYSA-N 452.146 4.796 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2CC[C@H]1C[C@H]2Br 2315420442 NHSYTOCEVAAUHS-GJMOJQLCSA-N 458.013 4.661 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1[C@H]2CC[C@H](C2)[C@@H]1CBr 2330984861 SGRNZHZISQPWFR-DVYJOKAKSA-N 451.984 4.600 50 10 JJGE CC(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2C1=O 2331232357 JWCHBABIRFOXMP-UHFFFAOYSA-N 460.471 4.673 50 10 JJGE C=CC[C@H](Br)[C@@H]1CCN1C(=O)c1cccc(Br)c1Br 2335817905 NVSJPDWCNHOJDB-JQWIXIFHSA-N 451.984 4.766 50 10 JJGE C[C@H]1C[C@H](Br)[C@H](C)CN1C(=O)c1ccc(Cl)cc1I 2340061932 SUVGRASGLZCQRF-PTRXPTGYSA-N 456.549 4.579 50 10 JJGE FC(F)(F)[C@H]1[C@@H](Br)CCCN1c1ncc(Br)cc1Br 2344085004 RYQCQLIMJLWDQL-IONNQARKSA-N 466.921 4.901 50 10 JJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2cc(Br)ccc2Br)[C@H]1C 2344521173 SHKRBHHXFBOXJO-AUTRQRHGSA-N 454.000 4.846 50 10 JJGE Cn1cc([C@H](Br)c2cc3c(cc2Br)OCCC3)c(Br)n1 2369621875 QNODZCYQYXCSTL-CYBMUJFWSA-N 464.983 4.754 50 10 JJGE CC1(C)CC(CBr)(CN=[S@]2(=O)CC[C@]3(CCCN3C(=O)OC(C)(C)C)C2)C1 2371132325 ZJYLSTMQNPOPAB-HRFSGMKKSA-N 463.482 4.829 50 10 JJGE C=CCn1c(SCC(=O)N/N=C/c2ccc(C)cc2)nc2scc(-c3ccccc3)c2c1=O 9041526 ZUQAVRVUZSQNMU-VULFUBBASA-N 474.611 4.862 50 10 JJGE CCOc1cc([C@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)ccc1O 9693249 SDIALWIASRGKAN-QGZVFWFLSA-N 455.967 4.972 50 10 JJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccccc1OCCOc1ccccc1 14040572 OFJSUNQTWPKDKC-MRXNPFEDSA-N 489.355 4.680 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@H]1c1cccc(Br)c1 38651561 JXZBLFSAOIRFAS-OAQYLSRUSA-N 492.285 4.795 50 10 JJGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(C)c3)ccc21 38681532 XDTSGHAJUMJVDZ-MHZLTWQESA-N 470.525 4.986 50 10 JJGE C/C(CC(=O)Nc1ccc(C)c(Cl)c1)=N\NC(=O)COc1ccc(Br)cc1C 100969690 RWYOGLODIFPFGH-ZVHZXABRSA-N 466.763 4.619 50 10 JJGE O=C(NN=Cc1cc2ccccc2nc1Cl)/C(=C/c1cccs1)NC(=O)c1ccccc1 252627435 RTZRDKCTYPFQLP-FSOQTDKFSA-N 460.946 4.871 50 10 JJGE O=C(N[C@H](CBr)CC(F)(F)F)c1cc(Br)cc(Br)c1 717758650 HGATVWQJJINCFH-VIFPVBQESA-N 467.905 4.657 50 10 JJGE Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 729344224 CRFISAXANMINPH-YNGKYYQNSA-N 487.947 4.903 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)NCCOc2ccc3ccccc3c2)c(-c2ccccc2)n1 914466443 CLIZLXPYDNEITE-JJIBRWJFSA-N 461.525 4.719 50 10 JJGE O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NN=Cc1cc(Cl)cc(Cl)c1O 1084243952 JCFINTWSXONYQQ-UHFFFAOYSA-N 465.215 4.578 50 10 JJGE C=CCC[C@@H](NC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F)c1ccc(C(F)(F)F)cc1 1478272658 OFSSLXFJCTXTGU-RDTXWAMCSA-N 453.436 4.650 50 10 JJGE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NNC(=O)c1ccc(OCCC(C)C)cc1 1624302230 ASXKSZXQFHTYFF-PEZBUJJGSA-N 450.457 4.875 50 10 JJGE C=CC[C@H](C(=O)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1ccccc1 1650686455 UMDYNWFUHYWFIB-NRFANRHFSA-N 456.571 4.976 50 10 JJGE Cc1c(C(=O)NCc2ccccc2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743858 KIULWGBKEXJGCX-UHFFFAOYSA-N 480.362 4.751 50 10 JJGE COc1ccc(C)cc1NC(=O)COc1cccnc1NC(=O)Nc1ccc(SC#N)cc1 1858835161 IWBPPYRZLZLPOO-UHFFFAOYSA-N 463.519 4.633 50 10 JJGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)cc1OC 1865696535 GZZWGSKASSAFHO-QHCPKHFHSA-N 474.561 4.984 50 10 JJGE CCC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(SC#N)cc1 1866876684 IZRNCWPFDACXMO-SFTDATJTSA-N 481.647 4.522 50 10 JJGE CCCC[C@@H](NC(=O)C[C@H](c1ccccc1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867032140 VSLQIBPTAFGGNY-FGZHOGPDSA-N 477.590 4.787 50 10 JJGE C[C@@](CCl)(CBr)OCc1ccc(I)c(Br)c1 1904373509 GXXCWPNRQNZZBE-NSHDSACASA-N 482.381 4.963 50 10 JJGE Cc1cc(C(=O)N(CCBr)Cc2ccccc2)ccc1I 1906717833 JLGJNWZIVPCNNJ-UHFFFAOYSA-N 458.137 4.637 50 10 JJGE C[C@]1(CCBr)CCN(C(=O)c2csc(Br)c2Br)C1 2068155013 LTSGMEAZZZMEDW-LBPRGKRZSA-N 460.029 4.910 50 10 JJGE Cn1ncc(Br)c1C[C@H](CBr)Cc1ccccc1Br 2087325532 PAKOAVJRJKJTDB-SNVBAGLBSA-N 451.000 4.741 50 10 JJGE CCOc1ccc(Br)cc1[C@@H](Br)c1cc(Br)n(C)n1 2094082027 JUCUCTVQSOEHLG-CYBMUJFWSA-N 452.972 4.828 50 10 JJGE FC1(F)CN(Cc2ccccc2)CCCN(c2nc3sccn3c2CBr)C1 2152788017 CKGINDSAKDUKJV-UHFFFAOYSA-N 455.372 4.638 50 10 JJGE O=S(=O)(N[C@H](CBr)c1cccs1)c1ccc(Cl)c(Br)c1 2175668504 DRUFTXYXDVXOSM-LLVKDONJSA-N 459.612 4.579 50 10 JJGE C[C@@H](CBr)[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(I)c1 2283665615 WOMIJAVLBGHYGR-HZMBPMFUSA-N 470.576 4.970 50 10 JJGE CC1(C)CN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@@H]1CBr 2295309639 LVWLBSBQCVHNDL-NSHDSACASA-N 468.027 4.634 50 10 JJGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Cl)c(Cl)c2)cc1 2297298866 SVWVVZQTAPNYBJ-UHFFFAOYSA-N 468.340 4.923 50 10 JJGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 2325141133 DHFTVYFQFVHULD-UHFFFAOYSA-N 471.469 4.510 50 10 JJGE O=C(N[C@H]1CCCC[C@@H]1CBr)c1ccc(Cl)cc1I 2340054793 BLTPTCIORWETOP-RNCFNFMXSA-N 456.549 4.628 50 10 JJGE CN(CC[C@@H](Br)c1cccs1)C(=O)c1cccc(I)c1 2365984468 HODOPAPJKVVDBN-CYBMUJFWSA-N 464.166 4.951 50 10 JJGE O=C(Nc1ccc(CBr)c(F)c1)c1cc(I)ccc1F 2367668718 KMMKEMVCSDLXLX-UHFFFAOYSA-N 452.036 4.717 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2CCCCC23CCOCC3)CC1 2368355998 YLYHNBRLGYKERB-KRWDZBQOSA-N 493.426 4.947 50 10 JJGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](CC)Oc2ccccc2[C@H](C)CC)cc1 10683784 WCHYGDUSVCRIJQ-GCJKJVERSA-N 453.583 4.947 50 10 JJGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 14644276 JCXAFLUOMJFVKC-OAHLLOKOSA-N 487.781 4.849 50 10 JJGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1 14661697 BCBXOEUBWXIINQ-UHFFFAOYSA-N 467.610 4.860 50 10 JJGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(Oc3ccccc3Cl)nc3ccccn3c2=O)cc1 34852094 NMUDFJKMTAXFOZ-JXAWBTAJSA-N 477.929 4.787 50 10 JJGE COc1cccc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)c1OCc1cccc(Cl)c1 96438809 NQGMTCCOOUDIBS-NDENLUEZSA-N 476.916 4.880 50 10 JJGE CC(C)(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 96507879 PXJCANMGPIOVLG-VKAVYKQESA-N 466.588 4.787 50 10 JJGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241084 DTFIGCSZTKMLMU-NLTRVXJZSA-N 487.556 4.577 50 10 JJGE O=C(NCc1cccc(CCl)c1)c1cc(I)ccc1Br 236033373 WDPVTUQUVQQSLU-UHFFFAOYSA-N 464.528 4.723 50 10 JJGE COc1ccc(CC(=O)NN=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1OC 254764592 GLPMTMIOWGHLJH-UHFFFAOYSA-N 474.557 4.913 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](CBr)[C@H](c2cccc(I)c2)C1 394775049 INJAZRWYMWCSJM-JSGCOSHPSA-N 466.157 4.637 50 10 JJGE BrCc1c(Br)ccc(I)c1Br 575696172 ZTRPCOLINALNRM-UHFFFAOYSA-N 454.725 4.711 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)NCc2ccc(Cl)cc2)c(C)n1-c1ccccc1C(F)(F)F 1084567630 UQHZVBLWSKZUHH-UHFFFAOYSA-N 476.886 4.533 50 10 JJGE CCC[C@H](NC(=O)NNC(=O)c1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 1318199930 OLMQGEKDCDZPAJ-INIZCTEOSA-N 458.278 4.953 50 10 JJGE CC(=O)N1CC[C@@H](NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3F)c2C)c2ccccc21 1518263168 RXHLSRAXFOFBEF-INJUALFYSA-N 456.521 4.754 50 10 JJGE O=C(N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc(Br)cc1 1860822359 AOMLDLUCSWCKJC-QQTULTPQSA-N 468.738 4.783 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)ccc1O 1865706277 RYAXXDMMJFNGOF-XMMPIXPASA-N 464.525 4.839 50 10 JJGE Cc1ccc(/C=C(\C#N)C(=O)N[C@@H](CCC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 1866126436 QKRFJPXCAYICRL-PAZQBSDDSA-N 496.563 4.654 50 10 JJGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(CS(=O)(=O)c3ccccc3)CC2)n1 1868480093 GMPDRLMHDPZJGN-UHFFFAOYSA-N 479.631 4.792 50 10 JJGE C[C@H]1CC[C@](CBr)(NC(=O)c2cc(Cl)ccc2I)C1 1880938845 KUZBZWJFZVAZEJ-XPTSAGLGSA-N 456.549 4.628 50 10 JJGE O=C(NCC[C@@H]1CCC[C@@H]1Br)c1cccc(Br)c1Br 1913759135 WTEUGCCBAJKPFK-ONGXEEELSA-N 454.000 4.895 50 10 JJGE C[C@H]1CC[C@H](CBr)N(C(=O)c2csc(Br)c2Br)C1 2048055138 CZCSQTNVCSQNLT-JGVFFNPUSA-N 460.029 4.909 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNCc1cccc2c1N(C(=O)OC(C)(C)C)CC2 2061265735 LFFABOJERKWADG-UHFFFAOYSA-N 483.700 4.980 50 10 JJGE Cc1cc(Br)c([C@@H](Br)C2CCS(=O)(=O)CC2)cc1Br 2089856609 FSGAPHQKCLYOMU-ZDUSSCGKSA-N 475.040 4.781 50 10 JJGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3cc(Br)n(C)n3)c2O1 2150478607 MTMYLAJMTQSMAE-CPFSXVBKSA-N 464.983 4.753 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2164654505 AKZRNEAOQIJYMY-CHIMOYNISA-N 468.560 4.723 50 10 JJGE CC[C@@H](Br)[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2170615488 RJTFTFOGPHUQJB-SCZZXKLOSA-N 465.660 4.881 50 10 JJGE Cc1cccc(C(=O)N2CC[C@@H](Br)[C@H]2C(C)(C)C)c1I 2185098649 ACYRLIGPBRHPBC-OCCSQVGLSA-N 450.158 4.624 50 10 JJGE O=C(NC[C@@]1(CBr)C[C@H]1C(F)(F)F)c1scc(Br)c1Br 2192581508 KXDLTQDFNMXXPG-LDWIPMOCSA-N 499.972 4.966 50 10 JJGE Cc1cc(C(=O)N(CCBr)Cc2ccsc2)ccc1I 2207101903 IBCVJPDJVSOXEP-UHFFFAOYSA-N 464.166 4.698 50 10 JJGE O=C(NC[C@H]1CCCC[C@H]1Br)c1ccc(Cl)c(I)c1 2268359988 YLZRLIFPISMHPW-GHMZBOCLSA-N 456.549 4.628 50 10 JJGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2c(Oc3ccccc3F)nc3ccccn3c2=O)c1 2314532929 OARCSMABSVAONV-UHFFFAOYSA-N 454.461 4.788 50 10 JJGE CCOc1cc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)ccc1OCc1ccccc1 2328791998 RTYHFTSKOSRTPH-UHFFFAOYSA-N 486.524 4.608 50 10 JJGE CC(C)(C)OC(=O)Nc1ccc([S@](C)(=O)=NC[C@@]2(CBr)CC2(F)F)cc1 2351887339 MPXJOMWQTSRPNA-QMTYFTJSSA-N 453.349 4.911 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1[C@H]2CC[C@H]1CC(CBr)C2 2365592265 MBQSYSXVDHEOTQ-RYUDHWBXSA-N 468.560 4.723 50 10 JJGE CC(C)CCC(O)(CCC(C)C)C(=O)NN(C(=O)c1ccccc1C(=O)O)c1ccccc1 27473938 LSDKBISJQFGFSG-UHFFFAOYSA-N 454.567 4.666 50 10 JJGE CCN(CC)c1ccc(/C=N/NC(=O)CCCSc2nc3ccc([N+](=O)[O-])cc3s2)c(O)c1 58991780 GHJVJIHDSRRMDP-OEAKJJBVSA-N 487.607 4.779 50 10 JJGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242033 VKFIQWBVRUJWBN-GFPZRUSRSA-N 475.545 4.724 50 10 JJGE O=C1Cc2cc([C@@H](Br)c3cccc(I)c3)c(Cl)cc2N1 109873146 ZKZHDQICIZKPAI-HNNXBMFYSA-N 462.512 4.924 50 10 JJGE O=S(=O)(N[C@H](CBr)c1ccccc1)c1cc(Cl)c(Br)s1 136887927 IWPSEALLBMSQFS-SNVBAGLBSA-N 459.612 4.579 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CCCCC[C@H]1CBr 232473542 XEIXLDSYYLLPMK-NSHDSACASA-N 454.000 4.991 50 10 JJGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cn(C)c3ccccc23)cc1 254347999 RZSOJGHLCNESNU-FQWWBAIZSA-N 493.611 4.946 50 10 JJGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c(OC)c1 254573390 RTNMYCQDEQFERC-UHFFFAOYSA-N 487.585 4.584 50 10 JJGE CC(C)(CBr)CCCNS(=O)(=O)c1cc(Cl)c(Br)s1 393404338 PTZAPKCATDGNNK-UHFFFAOYSA-N 453.649 4.644 50 10 JJGE CC(C)[C@@](C)(CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 398593962 WGPZFZOPDQHAPA-GFCCVEGCSA-N 468.038 4.844 50 10 JJGE O=C(CBr)c1cc(I)cc(OC(F)(F)F)c1Br 575693874 CHFDRPYLPDAJRH-UHFFFAOYSA-N 487.835 4.530 50 10 JJGE C[C@H]1CN(C(=O)c2cc(Br)cc(Br)c2)C[C@]1(C)CBr 694701535 XGWNIYURPZPKQV-XPTSAGLGSA-N 454.000 4.705 50 10 JJGE C[C@H](CBr)[C@H]1CCCCN1C(=O)c1ccc(I)c(Cl)c1 696712184 MFRSJVKRMGFBLY-QMTHXVAHSA-N 470.576 4.970 50 10 JJGE C[C@H]1CN(C(=O)c2scc(Br)c2Br)C[C@H](C)C1Br 705447416 ITIHMBNRKVLWRW-BQBZGAKWSA-N 460.029 4.765 50 10 JJGE C=CCc1ccc(OCC(=O)NN=Cc2cc(Br)ccc2OCCC)c(OC)c1 1084042151 IAKIUHFVJLSYDU-UHFFFAOYSA-N 461.356 4.504 50 10 JJGE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/C=C(/C#N)C(=O)Nc1ccc(Br)cc1 1084114539 NJFALSHHJNHTAT-PTNGSMBKSA-N 466.295 4.706 50 10 JJGE COc1ccc(C(=O)NCC(=NNC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc2)cc1 1088739645 HTIBLAZPEKRNBG-UHFFFAOYSA-N 486.450 4.550 50 10 JJGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Cl)CCC3)c(OC)c1 1772744476 VPSPIGZSIDLBOD-UHFFFAOYSA-N 481.936 4.981 50 10 JJGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OC 1772755160 QSUKQXZUOHHEEY-UHFFFAOYSA-N 492.420 4.832 50 10 JJGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1 1858905797 PYHITZBQSJDZDI-UHFFFAOYSA-N 493.457 4.617 50 10 JJGE CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1 1865684120 UDBXPTLZBKCYNM-GOSISDBHSA-N 473.886 4.888 50 10 JJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)c1 1865693824 ZLXKUFASHGSKAP-SFHVURJKSA-N 490.869 4.839 50 10 JJGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696485 NUZAZRMVKCEGOO-HXUWFJFHSA-N 481.350 4.520 50 10 JJGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(OC)cc1 1865703691 ZIPJQKGCIKNHIH-LJQANCHMSA-N 470.451 4.907 50 10 JJGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Br)cc1 1865709803 HDQHHKGGCXRFOO-MRXNPFEDSA-N 491.267 4.880 50 10 JJGE Cc1ccc(C(=O)CCC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c(C)c1 1865760110 HCTDVLJLBQAGLH-UHFFFAOYSA-N 451.350 4.580 50 10 JJGE CN(c1ncc(I)cc1Br)C1CCC(Br)CC1 2015766887 PWRYPTQVKCAORG-UHFFFAOYSA-N 473.978 4.591 50 10 JJGE CC1(C)C[C@H](CBr)N(C(=O)c2csc(Br)c2Br)C1 2033723684 QKHQCNFNBBJDTM-SSDOTTSWSA-N 460.029 4.909 50 10 JJGE Cc1nsc(COc2c(Br)cc(CBr)cc2Br)n1 2041016655 XQAAOQSAJXBXKO-UHFFFAOYSA-N 456.985 4.845 50 10 JJGE CC[C@@H](C)[C@@H](Br)CNC(=O)c1ccc(Br)cc1I 2086145002 HRROGWNQPSVYPW-KCJUWKMLSA-N 488.989 4.593 50 10 JJGE C[C@@H]1C[C@H](Br)CCN(C(=O)c2cc(Br)ccc2Br)C1 2103285621 JTEIMVCIBQWZEG-MWLCHTKSSA-N 454.000 4.847 50 10 JJGE O=S1(=O)C[C@@H]2CCC[C@]2([C@@H](Br)c2cc(Br)sc2Br)C1 2137227695 MSRBUDHHUQIGCG-JWYUURKGSA-N 493.080 4.924 50 10 JJGE O=C(NC1(CCCCl)CCC1)c1cc(I)ccc1Br 2140848986 AEUVEJZVXIEAFB-UHFFFAOYSA-N 456.549 4.725 50 10 JJGE CCCN1CCC[C@H]([C@@H](Cl)c2csc(Br)c2Br)S1(=O)=O 2150342037 OYKHYQZKKCRJEQ-KOLCDFICSA-N 465.660 4.757 50 10 JJGE CC(C)(C)[C@]1(CBr)CCN(C(=O)c2cccc(I)c2)C1 2160942814 USFLGHISJDWFFH-INIZCTEOSA-N 450.158 4.565 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CC[C@](CCl)(C(F)(F)F)C1 2167689008 ABSXJUQUGIOXAW-SNVBAGLBSA-N 455.521 4.907 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(F)(F)F)CCN1C[C@@H](CBr)CC1CC1 2169172274 NJLOQGUOOZKFQO-PMPSAXMXSA-N 457.375 4.965 50 10 JJGE Cc1csc(CBr)c1S(=O)(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 2179817783 ZOVYBHDTRPANFV-GOSISDBHSA-N 471.486 4.627 50 10 JJGE Cc1ccc(I)c(C(=O)NC[C@H](CBr)CC(C)(C)C)c1 2240911527 FICRARJBLHVLME-LBPRGKRZSA-N 452.174 4.777 50 10 JJGE C=CC[C@@]1(CBr)CCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2287838761 SJMLAVYUXOWVFY-LBPRGKRZSA-N 463.644 4.658 50 10 JJGE CC(C)c1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 2314730532 CCINHVXKEZTKRE-UHFFFAOYSA-N 452.561 4.613 50 10 JJGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)C=Cc3ccc([N+](=O)[O-])s3)n2)cc1 2321175922 DXFDQPZYOYAXOY-UHFFFAOYSA-N 451.489 4.529 50 10 JJGE COc1cc(F)c([C@@H](Br)c2c(Br)c(Br)nn2C)c(F)c1 2364227736 CZLJLBGWPJGFLI-SECBINFHSA-N 474.925 4.716 50 10 JJGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCCc2ccccc2)c1C 33511024 OWBJEFVRIRPJHY-QJOMJCCJSA-N 478.552 4.678 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-])c1ccccc1Br 40591519 CREJGMYYECJYKF-UHFFFAOYSA-N 498.124 4.955 50 10 JJGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812592 GUGYFFHVPXPEQS-QUPMIFSKSA-N 490.991 4.674 50 10 JJGE CCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(OC)cc2)CCC3)cc1 40813877 RUDIJMSQRKFEIO-SGWCAAJKSA-N 461.518 4.718 50 10 JJGE COc1ccc(/C=N/NC(=O)CCCOc2ccc(C)cc2Br)cc1Br 40951137 BYOJTONFQKZTET-WSDLNYQXSA-N 484.188 4.838 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)COc3cc(C)ccc3C(C)C)cc2)cc1 59147281 DTDZKSSWTQYTKC-JVWAILMASA-N 480.586 4.724 50 10 JJGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccccc2OCCC)c(OC)c1 207161111 HCMOSDDYJDOGRM-KOEIGMAUSA-N 462.546 4.926 50 10 JJGE CC[C@@H](Br)c1cn(-c2cc(OC)c(Br)cc2Br)nn1 233822151 XDTJECUVNOIANP-SSDOTTSWSA-N 453.960 4.647 50 10 JJGE O=C1Cc2cc([C@H](Cl)c3cc(Br)ccc3I)ccc2N1 236039737 BKSSCKWEMQXFMK-HNNXBMFYSA-N 462.512 4.877 50 10 JJGE COc1ccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 254403827 PWKRKIAEFALNJF-UHFFFAOYSA-N 496.223 4.884 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cccc(C)c3)cc2OC)cc1 254480103 GCCCWJOVOYWKCL-UHFFFAOYSA-N 476.529 4.541 50 10 JJGE O=C(NN=Cc1cc(Br)ccc1OCc1ccccc1Cl)c1cc(O)cc(O)c1 254491141 LMZKXNAVCHPBGR-UHFFFAOYSA-N 475.726 4.857 50 10 JJGE C[C@H](Cl)c1nc(N)nc(Nc2c(Br)cc(Br)cc2Br)n1 313677458 OJQKLZUONGZUPT-BYPYZUCNSA-N 486.393 4.785 50 10 JJGE COc1cccc(F)c1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382684063 GBDFXGIFLVWAOF-HOTGVXAUSA-N 469.294 4.622 50 10 JJGE Nc1ccc(Cl)c([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1 382697127 SSLQQRUCTSECCY-PBHICJAKSA-N 470.738 4.709 50 10 JJGE FC(F)(F)c1cnc(N2CCC[C@@H]2CCCBr)c(I)c1 686112582 IQJJRNHSQVBRMA-JTQLQIEISA-N 463.079 4.849 50 10 JJGE C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c(Br)s2)[C@H]1CCBr 697194351 QCIFZRQVXZWTJD-SCZZXKLOSA-N 465.660 4.738 50 10 JJGE CC1(C)C[C@H](Cl)CCN(C(=O)c2ccc(I)c(Br)c2)C1 721578168 MYOYNXXFTZEEKW-LLVKDONJSA-N 470.576 4.923 50 10 JJGE COc1ccc(N2C(=O)CC[C@H](C(=O)NNc3ccc(F)c(F)c3F)[C@H]2c2ccccc2OC)cc1 728718297 GJRJBJSIZIXTPB-AVRWGWEMSA-N 499.489 4.749 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1 1084462772 ZRUOKROVEZEALC-JOCHJYFZSA-N 451.479 4.526 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1O 1084487833 VVXJJLKOVBJKFX-OVCLIPMQSA-N 462.287 4.558 50 10 JJGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1c(O)ccc2ccccc12 1084636097 PMZUPUZUQIOQEI-GOSISDBHSA-N 486.601 4.566 50 10 JJGE Cc1c(C(=O)NCCc2ccccc2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751415 QMQIAPPAXWIEJW-UHFFFAOYSA-N 466.541 4.579 50 10 JJGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC[C@H](c3ccc4c(c3)OCO4)C2)n1 1868253251 DLNLTWCANCWVHI-SFHVURJKSA-N 475.574 4.705 50 10 JJGE COc1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1C 1872727183 CSTFCHPOFDWYAM-HYARGMPZSA-N 476.554 4.668 50 10 JJGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c1 1872749623 AEOWTIJRTNCSMX-JZJYNLBNSA-N 474.498 4.814 50 10 JJGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)CC1=O 1872818240 SYCFJGFSCHFQDM-YSFPUWIGSA-N 481.480 4.721 50 10 JJGE CC(C)(C)OC(=O)NC1C[C@@H]2CSC[C@H](C1)C2[C@@H](CBr)NC(=O)OC(C)(C)C 1889711939 KREAVOYBBZLQFX-WJTFHPDPSA-N 479.481 4.557 50 10 JJGE O=C(c1cc(Br)sc1Br)N1[C@H]2CC[C@H]1[C@H](CBr)C2 2039490375 KRMAULKJGUDAPQ-ZKWXMUAHSA-N 458.013 4.661 50 10 JJGE Cl[C@H](c1cc(I)sn1)c1cc2c(cc1Br)OCC2 2056495268 BWLQCSFJZJMUOB-LBPRGKRZSA-N 456.530 4.773 50 10 JJGE CN([C@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1 2123210995 SCUQUNLZBKAYEL-OALUTQOASA-N 458.805 4.603 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCc2cc(Br)ccc2C1 2125293897 QAHTUPRSUNPTEZ-KRWDZBQOSA-N 461.491 4.802 50 10 JJGE Cc1cc(NCCSSCCNC(=O)OC(C)(C)C)c(Br)cc1[N+](=O)[O-] 2125301361 DOOGCAQEHXPRMM-UHFFFAOYSA-N 466.423 4.984 50 10 JJGE CC(C)(C)OC(=O)NCC1CCS(=O)(=NC[C@H](CBr)c2ccccc2)CC1 2163059755 WEOZWVWYUAWMJC-YDBZOSSUSA-N 459.450 4.568 50 10 JJGE CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2cc(CBr)ccc2Cl)CO1 2179787707 SRHQLNYIORUXMK-QGZVFWFLSA-N 472.832 4.993 50 10 JJGE CN(C(=O)c1csc(Br)c1Br)[C@H](CBr)CC1CC1 2219028264 OKFQFFRKTFGDDF-QMMMGPOBSA-N 460.029 4.909 50 10 JJGE Fc1cc(Br)cc(OCCOCCOCCOCc2ccccc2)c1CCl 2236085057 MWDXRUCVZVIJBN-UHFFFAOYSA-N 461.755 4.956 50 10 JJGE C[C@@H](Br)CN(C(=O)c1cc(Br)ccc1Br)C1CCC1 2272431528 PWQHZZKDDVHPEV-SECBINFHSA-N 454.000 4.990 50 10 JJGE C[C@]1(CBr)CCCN1C(=O)Cc1cc(Br)cc(Br)c1 2277934152 DTCDIJIGNUCJON-CQSZACIVSA-N 454.000 4.530 50 10 JJGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCOC)c(C)c1 2296707903 XFDBZFISUTVQPT-UHFFFAOYSA-N 458.562 4.696 50 10 JJGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NNC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1 2297321174 QGEXKDQVHNZTJS-UHFFFAOYSA-N 453.539 4.548 50 10 JJGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 2314579318 PSWMZPAVHAMSFQ-CQSZACIVSA-N 470.407 4.879 50 10 JJGE COc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)c1 2314610377 HAORFSZRGBSSTI-UHFFFAOYSA-N 452.514 4.549 50 10 JJGE Brc1cc(CN2C[C@H](C3CC3)[C@@H](Br)C2)ccc1I 2325207919 SKLUJHWZDQZOBL-YPMHNXCESA-N 485.001 4.659 50 10 JJGE C[C@H]1c2ccc(CNC(=O)C(C#N)=Cc3cccc(Cl)c3)n2CCN1C(=O)OC(C)(C)C 2329674853 JSBXOPKIJQQIJZ-INIZCTEOSA-N 454.958 4.677 50 10 JJGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)CC1=O 2331320605 KHLFSNOQLQBFGU-MRXNPFEDSA-N 477.517 4.890 50 10 JJGE COc1c(C)cc(Br)cc1[C@@H](Br)c1c(Br)ncn1C 2337286115 VWZLAWQDTCSXLE-SNVBAGLBSA-N 452.972 4.746 50 10 JJGE C[C@H](Br)CC1C[C@@H]2CC[C@H](C1)N2C(=O)c1sccc1I 2367008514 PCSBHUUMBVAUIQ-YEJSDXFRSA-N 468.198 4.909 50 10 JJGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 14649855 DMYQRLGBYOXXOM-UHFFFAOYSA-N 490.398 4.687 50 10 JJGE CC1=C(C#N)C(=O)NC(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)OCc3ccccc3)c2)o1 27551163 VTEWGMLHNUCZMN-UNOMPAQXSA-N 472.884 4.837 50 10 JJGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)C(=O)NCc1ccccc1 33606186 AVFKZXBGFLRBLK-MTJSOVHGSA-N 491.341 4.950 50 10 JJGE CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(C(C)(C)C)cc3)[C@@H]2C1 34782675 HIHVRGDSMSSIEU-YADHBBJMSA-N 457.578 4.645 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)c(OC)c1 38657232 KSBGTVADFJUSEI-VWLOTQADSA-N 492.915 4.560 50 10 JJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C(=O)N(Cc2ccccc2F)c2ccccc21 59156620 FTPPREACUSTUEA-MOUZGGBRSA-N 486.330 4.967 50 10 JJGE COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)c1C 105286832 YATSEUALDDAQLA-HSGPEQJXSA-N 480.590 4.999 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1cccc(C)c1C 206399323 SOZVDZPDZWFEEK-UCQKPKSFSA-N 470.525 4.520 50 10 JJGE C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC[C@H]1Br 253195090 PWAJXZMLJNXLAY-VXNVDRBHSA-N 466.022 4.550 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=C/C(C)=C\c3ccco3)n2-c2ccccc2)cc1 254583623 QDZDJPSNBSAJDM-LWHLIZPRSA-N 473.558 4.834 50 10 JJGE CC(=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccc(O)cc1 254742939 CNWSUQJUKDEHQC-UHFFFAOYSA-N 457.559 4.581 50 10 JJGE CN(C(=O)c1cc(Cl)ccc1I)[C@@H](CBr)C(C)(C)C 689261123 OXZAKCZEDUKSPP-LBPRGKRZSA-N 458.565 4.826 50 10 JJGE O=C(N[C@H](CBr)C1CCCC1)c1scc(Br)c1Br 705430231 ZWYRQORJQVYNPW-SECBINFHSA-N 460.029 4.957 50 10 JJGE C[C@@H]1CCC[C@](CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)(N(C)C)C1 727727772 GMDKYOWUWXPAQC-SUELOULISA-N 479.028 4.651 50 10 JJGE Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1[N+](=O)[O-] 1084511613 UXVSTXFFWCVORU-XQNSMLJCSA-N 469.545 4.567 50 10 JJGE C=CCn1ncc2ccc(NC(=O)NNC(=O)c3cc4c(s3)CC[C@H](C(C)(C)C)C4)cc21 1311251690 GONFFRNYLWDWBM-KRWDZBQOSA-N 451.596 4.901 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2cc(F)ccc2[N+](=O)[O-])[C@@H](CI)C1 1614694069 HNISCQZJXMBSMI-YOEHRIQHSA-N 484.265 4.521 50 10 JJGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772743576 BYAPFEDNRBSOSW-UHFFFAOYSA-N 456.477 4.998 50 10 JJGE CC[C@H](Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccccc1 1858690555 RYKRDQZDGPUYHR-IBGZPJMESA-N 451.435 4.502 50 10 JJGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccccn1 1865693433 OHHSLIAFYAONQU-QHCPKHFHSA-N 495.539 4.568 50 10 JJGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865693760 YLMQSKKNASOOKP-NRFANRHFSA-N 498.942 4.530 50 10 JJGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)cc1OC 1865696920 UFNQTRGYMVBXPL-XMMPIXPASA-N 459.550 4.762 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)C[C@@H]2CC(=O)c3ccccc32)cc1 1867234123 DDBCJVNUGIGPOH-UUOWRZLLSA-N 487.556 4.825 50 10 JJGE COc1ccc([C@@H]2C[C@@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(C)n2)cc1OC 1868480618 QOZDOFXQPGMNKU-FPOVZHCZSA-N 477.590 4.821 50 10 JJGE CN(C[C@H](Cl)COCc1ccccc1)C(=O)c1ccc(I)c(Cl)c1 1916354083 HWJFOWNGIPSXJC-HNNXBMFYSA-N 478.157 4.841 50 10 JJGE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NCCSSCCNC(=O)OC(C)(C)C 1985350754 VNJYQQDBCGQJID-IRXDYDNUSA-N 463.710 4.518 50 10 JJGE CC1(C)CN(C(=O)c2csc(Br)c2Br)CC[C@H]1Br 2032953824 QXVVEWVLQFNRMF-MRVPVSSYSA-N 460.029 4.909 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@@H]2[C@H]3CC[C@H]4[C@@H](C3)C[C@H]42)CC1 2077683781 XAZOYKSRMAZMHK-SMLCLMEVSA-N 461.384 4.642 50 10 JJGE O=C(NC[C@H]1CCC[C@@H](Br)C1)c1c(Br)cccc1Br 2094088458 LGADKWFDKYEPGA-VHSXEESVSA-N 454.000 4.895 50 10 JJGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CCl)cc1Br 2095873671 IZWSJYKIYICASO-UHFFFAOYSA-N 460.821 4.805 50 10 JJGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Cl)c1 2123206440 QQHVIKNRAAPHAK-UHFFFAOYSA-N 460.821 4.851 50 10 JJGE C[C@]1(CBr)CC(F)(F)CN1Cc1ccc(I)c(Cl)c1 2142943402 LXEWZXGTEXRUPC-GFCCVEGCSA-N 464.519 4.939 50 10 JJGE O=C(NC[C@]12CCC[C@@]1(CBr)C2)c1scc(Br)c1Br 2142951148 XOTJBNFIUQDJCF-QWHCGFSZSA-N 472.040 4.958 50 10 JJGE CC[C@@H]1CCOC[C@@H]1O[C@@](C)(CI)c1ccccc1Br 2152512723 JMVSMVXKLWFAHZ-KCXAZCMYSA-N 453.158 4.931 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1[C@H](CBr)C[C@H]2CCC[C@@H]21 2164656800 QNXNXWPIODKXRN-PUYPPJJSSA-N 468.560 4.723 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2184573514 GFUXIZRICKULBH-YHPBZONMSA-N 466.011 4.990 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@H](Cl)C2)c1cc(Br)ccc1I 2204565406 VHSCEEZPHSUPBQ-TWOBJEBXSA-N 468.560 4.580 50 10 JJGE Fc1cc(Br)cc(F)c1CO[C@H](CCl)[C@@H](I)CCl 2259031542 KKIYDDHVDZURGW-WDEREUQCSA-N 473.910 4.894 50 10 JJGE C[C@@H](Br)[C@@H]1CCCN1C(=O)Cc1cc(Br)cc(Br)c1 2277925789 GMUHPCZYBSZIMZ-RNCFNFMXSA-N 454.000 4.529 50 10 JJGE N#CC(=Cc1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 2294599110 RXRRSGSCLUECNI-UHFFFAOYSA-N 453.473 4.781 50 10 JJGE COc1cccc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)c1OCc1cccc(Cl)c1 2295672673 NQGMTCCOOUDIBS-UHFFFAOYSA-N 476.916 4.880 50 10 JJGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCOC)c1 2314475873 DWBJJDSCXQXLGI-UHFFFAOYSA-N 458.562 4.778 50 10 JJGE CC(F)(F)C[C@H](CBr)NCc1ccc(I)c(Br)c1 2325229572 JQXPOANJAORPNQ-SECBINFHSA-N 496.959 4.952 50 10 JJGE C[C@@H]1C[C@H](C(F)(F)F)N(CC(C)(C)CI)CCN1C(=O)OC(C)(C)C 2326669884 QZGODPHSWRVPGE-CHWSQXEVSA-N 478.337 4.710 50 10 JJGE FC1(F)C[C@]1(CBr)COCc1cc(I)ccc1Cl 2327259316 LWVOMZSRCNIYDO-NSHDSACASA-N 451.476 4.882 50 10 JJGE COc1cccc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1OCc1c(Cl)cccc1Cl 2328818668 GJUMXJXWDDQVGQ-AWEZNQCLSA-N 496.391 4.944 50 10 JJGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2[C@@H]3CCO[C@H]32)c1Br 2339655898 IKGKFMDZBOUXAA-HKDSHFDBSA-N 454.984 5.000 50 10 JJGE CN(CCn1cc(Br)cn1)c1cc(Br)cc(F)c1CBr 2361653558 KFAQZJFCRUDIGT-UHFFFAOYSA-N 469.978 4.579 50 10 JJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccccc1OCc1ccccc1 14030772 ZZVCFADBWCNLFL-HNNXBMFYSA-N 459.329 4.801 50 10 JJGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)c(C)c1 14661662 VIYXFUSAEIQJGS-UHFFFAOYSA-N 481.637 4.844 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1OCC 38679024 RHXWRUNJERJTAJ-AREMUKBSSA-N 486.524 4.930 50 10 JJGE CCCCN(C(=O)CCl)[C@H](C(=O)NC1CCCCC1)c1ccc(OC(C)C)c(OC)c1 97914687 ZVVGKOIRHGQCQQ-QHCPKHFHSA-N 453.023 4.840 50 10 JJGE C=C(C)[C@@H]1CC=C(C)/C(=N\NC(=O)COc2ccc(Br)cc2Br)C1 104579741 ATIPHOKEMMFTKM-QIAIEURZSA-N 456.178 4.995 50 10 JJGE N#Cc1cc(COc2c(Br)cc(CBr)cc2Br)ccn1 232484820 ILNQRJATBCSKEE-UHFFFAOYSA-N 460.951 4.952 50 10 JJGE C[C@H]1CCC[C@](CBr)(NC(=O)c2ccc(F)cc2I)C1 235629380 JDPHELUPIXSUSW-BONVTDFDSA-N 454.121 4.504 50 10 JJGE CC(=O)Nc1ccc(C(=O)NN=Cc2ccccc2OCc2ccc(Br)cc2)cc1 252585888 LXFVQTMESXMSRF-UHFFFAOYSA-N 466.335 4.750 50 10 JJGE CC(=NNC(=O)c1cc2c(s1)CCCCC2)c1cccc(NS(=O)(=O)c2ccccc2)c1 254290732 PVDBPOHXYZTQEG-UHFFFAOYSA-N 467.616 4.972 50 10 JJGE CCCCOc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3cccs3)cc2)cc1 254308799 LDOASZKTBHLUNC-UHFFFAOYSA-N 452.532 4.675 50 10 JJGE CCOc1cc(C=NNC(=O)CSc2nnc(C)s2)ccc1O[C@H](C)c1ccccc1 254836562 QKZHLXWJOGAVFO-OAHLLOKOSA-N 456.593 4.628 50 10 JJGE O=C(NC[C@@H]1CCC[C@H](CBr)C1)c1cc(Cl)ccc1I 380100499 MZZMRVPQVYVUDP-WDEREUQCSA-N 470.576 4.876 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccc(F)c(Br)c2)C1 382714594 JFOYSDDGIWPZNI-RYUDHWBXSA-N 484.147 4.974 50 10 JJGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(Br)ccc1Br 686180551 UTWPLGKPICETKZ-HHSCNIOUSA-N 466.011 4.988 50 10 JJGE Cc1ccc(N(CC(=O)NN=Cc2ccc3c4c(cccc24)CC3)S(=O)(=O)c2ccccc2)cc1C 1084027191 SXMPZAFLEBMZSU-UHFFFAOYSA-N 497.620 4.901 50 10 JJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865683178 IAQNTGKRHCIQHA-RUZDIDTESA-N 493.567 4.841 50 10 JJGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(C)cc1 1865691731 ZQONZBFWASKYTM-LJQANCHMSA-N 452.436 4.983 50 10 JJGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3C)cc1OC 1865693769 YOQIHKFGECFYQO-LJQANCHMSA-N 489.414 4.931 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865701298 ROZXCUWVZNBXLQ-HSZRJFAPSA-N 480.524 4.783 50 10 JJGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711151 QQUMXXVDEHWAMN-VWLOTQADSA-N 488.588 4.745 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c(OC)c1 1872755387 LARJJVGBTNIPCK-SXKPWUIASA-N 489.553 4.941 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CC[C@@H](C(F)(F)CBr)C1 1892715330 OEPHSFDCWWNMJG-ZCFIWIBFSA-N 481.982 4.765 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1[C@H]2CCC[C@H]1CC(Br)C2 1922763489 DTFNWOQRJPWWMM-RYUDHWBXSA-N 468.560 4.865 50 10 JJGE Brc1csc([C@H]2CC[C@@H](CI)O2)c1Br 1930750831 YVKWXTRKJAXOAQ-CAHLUQPWSA-N 451.949 4.928 50 10 JJGE C[C@H](Br)Cc1cn(-c2ccc(Cl)c(I)c2Cl)nn1 2032957023 FGZXJOOLUSPBHQ-LURJTMIESA-N 460.928 4.505 50 10 JJGE CC(C=NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1)=Cc1ccccc1 2040451728 DGZCJCSKZVJAOG-UHFFFAOYSA-N 461.587 4.635 50 10 JJGE COc1ccc(Cn2nc(CCl)c(I)c2C(F)(F)F)cc1Cl 2079211471 SFSHWVYRRSDAEH-UHFFFAOYSA-N 465.040 4.956 50 10 JJGE CC1(C)[C@@H](Br)CC[C@@H]1NC(=O)c1scc(Br)c1Br 2086012817 UKDNKUUGPRTMGZ-YUMQZZPRSA-N 460.029 4.955 50 10 JJGE CC(C)N(CCOCCBr)Cc1cc(Br)ccc1Br 2118534993 OOWYCMVPXZJQNB-UHFFFAOYSA-N 458.032 4.834 50 10 JJGE C=CC[C@@](C)(CCl)CNC(=O)c1cc(Br)ccc1I 2137199148 LCIOTAAAWDOBFT-AWEZNQCLSA-N 456.549 4.605 50 10 JJGE CCCn1cnnc1COc1c(Br)cc(Br)cc1CBr 2153666036 DOVFCGMKUUXFDT-UHFFFAOYSA-N 467.987 4.687 50 10 JJGE O=S1(=O)CCc2cc([C@@H](Br)c3cc(Br)c(Cl)s3)ccc21 2170067572 OETWJRDPGUGLGL-GFCCVEGCSA-N 456.608 4.978 50 10 JJGE CC1(C)C[C@@H](CBr)CN1c1ncc(C(F)(F)F)cc1I 2184276887 AJHQPYWHDZCHRA-QMMMGPOBSA-N 463.079 4.705 50 10 JJGE CC(C)CN(CCCCCI)C[C@@H]1CCCN1C(=O)OC(C)(C)C 2214704507 FPUXLONMTHFTFS-KRWDZBQOSA-N 452.421 4.949 50 10 JJGE CC(C)(C)OC(=O)N(CC1CC1)C1CCN(CCCCCI)CC1 2214706115 ZISCIMUNYOKJRK-UHFFFAOYSA-N 450.405 4.703 50 10 JJGE CN(C(=O)Cc1cc(Br)cc(Br)c1)[C@H](CCBr)C(F)F 2295312853 BPLLWKLJBMAIRZ-LLVKDONJSA-N 477.969 4.631 50 10 JJGE COC(=O)C(C#N)=Cc1cccc(OC(=O)c2cc(Br)c(Br)s2)c1 2314760689 XFORMJIZBCZAKT-UHFFFAOYSA-N 471.126 4.572 50 10 JJGE CS(=O)(=O)c1sccc1[C@H](Cl)c1sc(Cl)cc1I 2316605790 JXBMRUOXSRHGIQ-QMMMGPOBSA-N 453.175 4.799 50 10 JJGE COc1ccc(C=NNC(=O)CSc2nc(O)c3c(-c4ccc(C)cc4)csc3n2)cc1 2320488260 VRTULLKCJVWYJT-UHFFFAOYSA-N 464.572 4.623 50 10 JJGE Brc1cc(CN2CC[C@@H](Br)C3(CC3)C2)ccc1I 2325206857 LIOLNTUWODBNKE-CYBMUJFWSA-N 485.001 4.803 50 10 JJGE O=C(NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc(-n2cccc2)cc1 2326841528 ULRFYZXYORQIJH-UHFFFAOYSA-N 454.917 4.812 50 10 JJGE CC(C)[C@@H](CBr)N(C)C(=O)Cc1cc(Br)cc(Br)c1 2341388847 YOONRLKPARPPOB-CYBMUJFWSA-N 456.016 4.632 50 10 JJGE FC1(F)CCN(Cc2cc(I)ccc2Cl)CC[C@H]1Br 2352421419 MTJNMKJMQSKMDY-GFCCVEGCSA-N 464.519 4.939 50 10 JJGE C[C@@H]1[C@@H](Br)CCN(c2ncc(C(F)(F)F)cc2I)[C@H]1C 2370660451 JDWHQXNEVJRYCD-NRPADANISA-N 463.079 4.703 50 10 JJGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCOC)cc1F 33614006 VDUMIDDWBWNYBV-LTGZKZEYSA-N 476.552 4.917 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1 38685852 MTULCPNVLOHPJC-IVCQMTBJSA-N 474.488 4.815 50 10 JJGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3)nc3c(C)cccn3c2=O)c1 39858504 DPYOOWLVXRITMW-HKWRFOASSA-N 450.498 4.958 50 10 JJGE Cc1ccccc1C(=O)NNc1ncnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-] 40657734 NKUFBMAXIUXSTG-UHFFFAOYSA-N 466.807 4.866 50 10 JJGE CCC(CBr)(CBr)NC(=O)c1ccc(Br)c(Cl)c1 232855902 YPFSHOIAEMCALO-UHFFFAOYSA-N 462.407 4.771 50 10 JJGE COc1ccc(C(C)=NNC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)c(OC)c1 253483050 UZMBZLGLHKQMCF-UHFFFAOYSA-N 496.361 4.873 50 10 JJGE CC(CC(=O)Nc1cc(Cl)ccc1C)=NNC(=O)COc1ccc(C)cc1Br 254734313 ONBMTYPRTVPAJW-UHFFFAOYSA-N 466.763 4.619 50 10 JJGE O=C(CSc1ccc(C=NNC(=O)c2ccccc2[N+](=O)[O-])o1)Nc1ccc2ccccc2c1 254808236 HAYJLWYOYAYLOZ-UHFFFAOYSA-N 474.498 4.836 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2ccccc2)cc1 263627973 HCPZRAOUXQIEOW-UHFFFAOYSA-N 481.508 4.547 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(Br)c(O)c2)[C@@H](CBr)C1 382674439 KIAMGFWYUQNEKO-JKSUJKDBSA-N 469.173 4.902 50 10 JJGE Cc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1F 382732935 VMMMZSBETZACJP-ROUUACIJSA-N 453.295 4.921 50 10 JJGE O=C(CBr)c1c(I)cc(C(F)(F)F)cc1C(F)(F)F 575340475 FDUUJALGDMEVPB-UHFFFAOYSA-N 460.937 4.906 50 10 JJGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(Br)ccc1Br 686180558 UTWPLGKPICETKZ-OUJOLJPFSA-N 466.011 4.988 50 10 JJGE CN(C[C@@H]1CCC[C@@H]1Br)C(=O)c1scc(Br)c1Br 689345820 YAPIGWDOPWOVKK-YUMQZZPRSA-N 460.029 4.909 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1[C@H]2CC[C@H]1CC(CBr)C2 719298236 GFUXIZRICKULBH-RYUDHWBXSA-N 466.011 4.990 50 10 JJGE COc1cccc(Cc2cnc(NC(=O)NNc3ccc(F)cc3Br)s2)c1 727839114 YKEHKSNKQJYFCH-UHFFFAOYSA-N 451.321 4.793 50 10 JJGE CC(C)c1ccc(OCC(=O)NN=Cc2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1 1083966408 HBYYKUINZKGMPR-UHFFFAOYSA-N 454.708 4.663 50 10 JJGE CS(=O)(=O)Oc1ccc(C(=NNC(=O)c2ccc(C(F)(F)F)cc2)c2ccc(Cl)cc2)cc1 1088679992 YNOKRONEOBFAPN-UHFFFAOYSA-N 496.894 4.880 50 10 JJGE C#CC[C@@]1(C(=O)N2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)CCCN1C(=O)OC(C)(C)C 1460764277 PBICBVHGBQULFG-DVECYGJZSA-N 450.696 4.792 50 10 JJGE C/C(=C/C(=O)NNC(=O)[C@H](C)Oc1c(C)cc(Cl)cc1C)c1ccc(C(F)(F)F)cc1 1463544184 FJRXEVASXCHRMO-SSCKCOOKSA-N 454.876 4.994 50 10 JJGE COc1cc(C=NNC(=O)COc2cccc(Br)c2)ccc1OCc1ccccc1C 1772754283 ROXYJBJWDHGUHZ-UHFFFAOYSA-N 483.362 4.874 50 10 JJGE COc1cc(C)c(C)cc1S(=O)(=O)NNC(=O)c1ccc(-c2ccc3ccccc3c2)s1 1860405686 SJOIGSYHJAOBSV-UHFFFAOYSA-N 466.584 4.817 50 10 JJGE CCc1nn(CC)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865695989 BAAUHKBIUHSQPI-DEOSSOPVSA-N 458.562 4.704 50 10 JJGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cn(C)c3ccccc23)cc1 1865699011 ILTDVSOACZGQQW-LJQANCHMSA-N 465.435 4.610 50 10 JJGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706417 WGAYBLLFQVVONP-LJQANCHMSA-N 470.316 4.927 50 10 JJGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(I)c(O)c1 1915129930 FEMFHIDUEYMCQR-CYBMUJFWSA-N 488.163 4.813 50 10 JJGE O=C(CBr)c1c(I)ccc(OC(F)(F)F)c1C(F)(F)F 2055150260 FSVMQDYFNNRDHC-UHFFFAOYSA-N 476.936 4.786 50 10 JJGE O=C(CBr)c1ccc(C(F)(F)F)c(OC(F)(F)F)c1I 2055163764 VPKVVMSUQDRKLV-UHFFFAOYSA-N 476.936 4.786 50 10 JJGE CN(CCCOCc1ccccc1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2059389422 BOLQQXCKRSUCGK-UHFFFAOYSA-N 491.245 4.571 50 10 JJGE O=C(CBr)c1c(I)ccc(OC(F)(F)F)c1C(F)F 2060389242 KOIPMXZXFLMKKT-UHFFFAOYSA-N 458.946 4.705 50 10 JJGE O=C(CBr)c1cc(C(F)F)cc(OC(F)(F)F)c1I 2060389449 QKZXUWQUACYRQA-UHFFFAOYSA-N 458.946 4.705 50 10 JJGE O=S1(=O)CCCC[C@H]1[C@H](Br)c1ccc(Br)cc1Br 2083339250 QDDBVZXUIANANE-NWDGAFQWSA-N 461.013 4.615 50 10 JJGE Cc1nccc2c1nc(CCCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2126955560 XFTLRMGWUIULNM-UHFFFAOYSA-N 461.009 4.992 50 10 JJGE COc1cc(F)c([C@@H](Br)c2cc(Br)n(C)n2)cc1Br 2138158152 CAYBMZGESFQTTR-GFCCVEGCSA-N 456.935 4.577 50 10 JJGE C[C@@H]1C[C@H](CBr)CN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2156539159 NNTBUISXLGXFMC-HTQZYQBOSA-N 466.022 4.550 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N[C@]2(C)CCC[C@@H]2Br)cc1Br 2182703411 APZWKYWIXLNTFU-QWHCGFSZSA-N 490.055 4.504 50 10 JJGE C[C@H](CCl)[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2207271013 FHYBNKJDBHINNR-YGRLFVJLSA-N 470.576 4.923 50 10 JJGE CCC[C@@H]1CN(C(=O)c2ccc(Cl)c(I)c2)C[C@@H]1CBr 2283667634 VPIKDRNPEPJLKS-NEPJUHHUSA-N 470.576 4.828 50 10 JJGE N#CC(=Cc1ccccc1OCC(=O)Nc1nccs1)C(=O)Nc1ccc2ccccc2c1 2314486610 ABFGWMWRZGYQMF-UHFFFAOYSA-N 454.511 4.859 50 10 JJGE BrCCN(Cc1c(Br)cccc1Br)C1CCOCC1 2353645464 OTNYKVHOEKFBPL-UHFFFAOYSA-N 456.016 4.588 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CC2(CCC(Br)CC2)C1 2365589994 BNHJEAMZJRPQOD-UHFFFAOYSA-N 468.560 4.724 50 10 JJGE Cc1cc(C(=O)N(C[C@@H](C)Br)C2CCCC2)ccc1I 2368848690 ZTJAUHJCZYZGOL-GFCCVEGCSA-N 450.158 4.768 50 10 JJGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1 16739773 QVYKINCZMPCHJM-FNBPXTNNSA-N 477.973 4.984 50 10 JJGE CCOC(=O)c1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1 33528344 PJWRCCQRWCNKGU-GUNDDFSMSA-N 497.576 4.928 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OCCOCCOc1ccc(C)cc1 33740039 PCZQTTKXGOREDY-QJOMJCCJSA-N 490.556 4.685 50 10 JJGE COc1ccc(CN(C(=O)CCl)[C@H](C(=O)NC2CCCCCC2)c2ccccc2F)cc1 97914893 HCRAHXVLLGWWRB-DEOSSOPVSA-N 460.977 4.982 50 10 JJGE O=C(NC[C@H]1CCC[C@@H](Br)C1)c1cc(Cl)ccc1I 227768344 SZFDKSQOODWWMJ-VHSXEESVSA-N 456.549 4.628 50 10 JJGE O=C(Cc1ccc2c(c1)OCCO2)NN=Cc1ccccc1OCc1cccc2ccccc12 254791695 PYFGBVHGRYMVEG-UHFFFAOYSA-N 452.510 4.883 50 10 JJGE O=C(NN=Cc1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 263631321 AHDFPCUEJKAUSF-UHFFFAOYSA-N 459.399 4.512 50 10 JJGE Cl[C@H](c1cc(I)cc2c1OCC2)c1nscc1Br 404789709 DJOAQTQSINNHNH-SNVBAGLBSA-N 456.530 4.773 50 10 JJGE BrCc1c(Br)cccc1N1CC[C@]2(CN(Cc3ccccc3)CCO2)C1 717594526 QVGNCYQSULHHMM-NRFANRHFSA-N 480.244 4.825 50 10 JJGE BrCc1ccc(Br)cc1N1CC[C@@]2(CN(Cc3ccccc3)CCO2)C1 717595674 VRWRERJMCHDUTB-OAQYLSRUSA-N 480.244 4.825 50 10 JJGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccccc2OCC(=O)O)cc1 1084119822 VPRBCZNGVKJETA-UHFFFAOYSA-N 453.498 4.680 50 10 JJGE COc1ccc(OC)c(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c1 1084264550 VPWNHGYRLZAZKD-UHFFFAOYSA-N 489.359 4.507 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccccc2OC(F)F)C1 1614628140 MOBXHKPWAXUJJZ-YPMHNXCESA-N 453.267 4.674 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)cc1OC 1865695006 HQPYSDMEZUPDPL-JOCHJYFZSA-N 482.943 4.912 50 10 JJGE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696651 PKNMCSIPIVFGRP-LJQANCHMSA-N 471.742 4.580 50 10 JJGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cccs3)cs2)CC1=O 1872750364 HOTIEQLCAWEMPM-LKCUONQHSA-N 451.529 4.504 50 10 JJGE FC(F)(F)[C@H]1C[C@]1(CCl)CNc1ncc(I)cc1Br 1877499126 BXSFLWVOSUVSPY-WPRPVWTQSA-N 469.470 4.668 50 10 JJGE C[C@H]1CC[C@@](CBr)(NC(=O)c2cc(Cl)ccc2I)C1 1880938843 KUZBZWJFZVAZEJ-LKFCYVNXSA-N 456.549 4.628 50 10 JJGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)Cc1ccc(Br)cc1F 1916365575 YWBIMCYGGYXOBT-QGZVFWFLSA-N 473.180 4.569 50 10 JJGE C[C@H](NCCSSCCNC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)OC(C)(C)C 1985350822 WOXTYJQQQJNZQW-IRXDYDNUSA-N 463.710 4.660 50 10 JJGE CCN(C[C@@](C)(CI)O[C@@H]1[C@H]2CC[C@H]3[C@@H](C2)C[C@H]31)C(=O)OC(C)(C)C 2077677095 AHLOKNSOOPDLLR-MVKVRZLJSA-N 463.400 4.888 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2CC[C@]2(CBr)C1 2078147528 OEEHKDMUESXJFB-MADCSZMMSA-N 458.013 4.520 50 10 JJGE CC[C@@H](Br)CN(C(=O)c1ccc(I)c(Cl)c1)C1CC1 2107405889 DDKFOTVRVZXCRV-SNVBAGLBSA-N 456.549 4.723 50 10 JJGE C[C@@H]1C[C@H](CBr)CCN1C(=O)c1ccc(Br)cc1Br 2115844442 RSMXGIMJKPJSOC-NXEZZACHSA-N 454.000 4.847 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CCC[C@@H](CCCl)CC1 2149745184 YQCFGEIGBBYJPG-NSHDSACASA-N 470.576 4.925 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H](Cl)C(F)(F)CC1 2150036149 SVUXROTVNCWKQK-LLVKDONJSA-N 478.502 4.532 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CC2(CBr)CCC1CC2 2178887241 FHOCRLSFMGKADR-UHFFFAOYSA-N 468.560 4.724 50 10 JJGE C[C@H](Br)C[C@H]1CCCCN1C(=O)c1c(F)cccc1I 2282806508 MPZLKXVPFRANCQ-WDEREUQCSA-N 454.121 4.599 50 10 JJGE O=C(c1csc(Br)c1Br)N1CCC(CCl)(C(F)F)CC1 2289950207 LJOBFBUZBJOJJF-UHFFFAOYSA-N 451.558 4.999 50 10 JJGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccccc3)c(Oc3ccccc3Cl)nc12 2296720359 WUCUQFIAUFELPY-UHFFFAOYSA-N 477.929 4.787 50 10 JJGE O=S(=O)(N[C@@H](CCCl)COCc1ccccc1)c1cc(Cl)c(Br)s1 2303761958 KVNSWSAVHPLZAA-LBPRGKRZSA-N 473.241 4.657 50 10 JJGE N#CC(=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)N1CCN(c2ccccc2)CC1 2313545964 SCGACPWOPAEBCS-UHFFFAOYSA-N 499.483 4.551 50 10 JJGE COc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2OC)cc1 2314716685 FVYNBHSSBCECRC-UHFFFAOYSA-N 465.461 4.679 50 10 JJGE CCc1ccc(N(C(=O)C(C#N)=Cc2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 2314777807 VVLIOAVJKVNPDE-UHFFFAOYSA-N 460.555 4.895 50 10 JJGE CCc1ccccc1COC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2315981419 XDLNEBBKCZWXSF-UHFFFAOYSA-N 459.368 4.970 50 10 JJGE FC(F)(F)[C@H]1C[C@@H](Cl)CCN1c1ncc(I)cc1Br 2336386590 FVERUCNVVVYPPM-IMTBSYHQSA-N 469.470 4.587 50 10 JJGE CC[C@@]1(C)[C@@H](Br)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2361897791 VYDIWADEYAHTOU-ZFWWWQNUSA-N 468.027 4.919 50 10 JJGE O=C(N/N=C/c1cccc(I)c1)c1ccccc1OCc1ccccc1 13921011 PEZIYVCXQLYWQG-OEAKJJBVSA-N 456.283 4.634 50 10 JJGE O=C(NNC(=O)c1ccccc1OCc1ccccc1)c1ccc(OCCc2ccccc2)cc1 14041630 HEGALELHIDTUGQ-UHFFFAOYSA-N 466.537 4.962 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)CCC3)cc1C 40813012 WGXKXIHTICJXDC-NHFJDJAPSA-N 460.490 4.836 50 10 JJGE CCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1OC 40910868 JKAIUUBPILOZGG-ZMOGYAJESA-N 463.372 4.683 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Cl)cc1 40929234 PUYGIQOMBJDTJR-LDADJPATSA-N 480.904 4.539 50 10 JJGE CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C)c(C)c1 101240742 AHSJNOPEVPSVAM-OSEFQUDUSA-N 460.386 4.783 50 10 JJGE CN1Cc2cc([C@H](Br)c3cccc(I)c3)ccc2NC1=O 123288814 UWFNJSUEMHSAHX-OAHLLOKOSA-N 457.109 4.753 50 10 JJGE CCCCCOc1ccc(/C=N/NC(=O)c2cc(-c3cccs3)nc(O)n2)cc1OCC 169923626 SJLOXZYPWRKJQA-BUVRLJJBSA-N 454.552 4.642 50 10 JJGE CCOC(=O)c1cnn(-c2cc(C)c3cccc(C)c3n2)c1NC(=O)/C(C#N)=C/c1ccccc1 170536480 JKVMELDSVCIRIY-XSFVSMFZSA-N 465.513 4.760 50 10 JJGE C[C@@H](Br)C1CCN(C(=O)c2cc(Cl)ccc2I)CC1 235125623 IDCPWZYGDQODRR-SECBINFHSA-N 456.549 4.580 50 10 JJGE O=C(c1cc(Cl)ccc1I)N(CCBr)Cc1ccccc1 236064980 BMUDXWUVDZAPNK-UHFFFAOYSA-N 478.555 4.982 50 10 JJGE C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@@]2(C)[C@]1(OC(=O)c1ccco1)C(=O)CCl 504243565 PGAGVJAYRDPYKY-WHOCECEJSA-N 484.976 4.668 50 10 JJGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3nn(C)cc3Br)c2O1 720043093 NANAEURWOMYUDN-KRTXAFLBSA-N 464.983 4.753 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N(CCCl)c1ccccc1 721592719 HBODBXLKMCXPJK-UHFFFAOYSA-N 464.528 4.939 50 10 JJGE Cn1c([C@@H](NC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2)nc2ccccc21 726270565 CXMZINCKDGBYKI-QHCPKHFHSA-N 455.562 4.604 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)NCC2(c3ccc(Cl)cc3)CC2)c(-c2ccccc2)n1 727408621 DEFINQMOZSTMKC-HKWRFOASSA-N 455.949 4.872 50 10 JJGE C#Cc1cccc(NC(=S)NNC(=O)c2sc3cc(Br)ccc3c2Cl)c1 729863638 AHUNEGVBGULDMR-UHFFFAOYSA-N 464.797 4.930 50 10 JJGE CC(=O)c1ccc(OCCCC(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)cc1 1624158436 ZPVVNUOBQLIWRD-LJQANCHMSA-N 456.608 4.722 50 10 JJGE C=CC[C@H](NC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccncc1 1677730955 NKHJUPVWZMEANS-QHCPKHFHSA-N 451.530 4.867 50 10 JJGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689646 VGZVFNBHRSJHHD-IBGZPJMESA-N 481.350 4.520 50 10 JJGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(C)cc2)c(OC)c1 1865695477 OPTWSROHBCTQPQ-DEOSSOPVSA-N 458.562 4.970 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@H](Br)Cc1cccc(Br)c1Cl 1884186149 BTSRVIHANAQYLA-LLVKDONJSA-N 457.549 4.705 50 10 JJGE Cc1sc(Br)cc1C(=O)N(C)C[C@@H](Br)COCc1ccccc1 1916388874 TWDJBYGIBKGSNT-CQSZACIVSA-N 461.219 4.871 50 10 JJGE O=C(N[C@H](CCBr)C(F)(F)F)c1cc(Br)c(Br)s1 1918518782 QTBNOMBTJMZEQS-ZCFIWIBFSA-N 473.934 4.719 50 10 JJGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)C(=O)c2ccc(CBr)cc2)C1 1959476282 YFTALFBJXWCHLK-UHFFFAOYSA-N 459.384 4.843 50 10 JJGE O=C(NCCCCCCI)c1cc(Br)c(Cl)s1 2004901907 FPLGPVITZYMAKS-UHFFFAOYSA-N 450.567 4.889 50 10 JJGE Cn1ncc([C@H](Cl)c2ccc(Br)cc2Br)c1I 2024295591 SIZRKABVWRPBOT-SNVBAGLBSA-N 490.364 4.878 50 10 JJGE O=C(CBr)c1ccc(I)c(C(F)F)c1Br 2054780060 UTSUPYRXLQQVAN-UHFFFAOYSA-N 453.846 4.569 50 10 JJGE Fc1cc([C@H](Br)c2cc(I)sn2)c(F)c(F)c1F 2056495246 BTWDVRZVTUAQDM-ZETCQYMHSA-N 452.008 4.788 50 10 JJGE CCC[C@@H]1CN(c2ncc(I)cc2Br)C[C@H]1CBr 2084891072 XEQPISGBCYNSBO-NXEZZACHSA-N 488.005 4.696 50 10 JJGE Cc1[nH]nc(CBr)c1S(=O)(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 2123238706 XMRRMGXFXGOKMZ-CQSZACIVSA-N 454.415 4.627 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2143977621 QGKWYVJYMODHIT-RULNRJAQSA-N 466.011 4.990 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@H]2C[C@@H](Br)CC[C@H]2C1 2148749417 HUTJZKHCQQZAIF-AXFHLTTASA-N 466.011 4.847 50 10 JJGE O=S(=O)(c1cc(CCl)sc1Br)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2182307875 MSHSAURGJSQXIE-HOTGVXAUSA-N 489.888 4.677 50 10 JJGE Cc1nn(C)c(Br)c1CN(C)c1cc(Br)ccc1CBr 2185787438 OLAPCYKPVGTFJA-UHFFFAOYSA-N 466.015 4.785 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OC2CCC(C(F)(F)F)CC2)C1 2217090083 FIDGAOUZVIZYSC-IFWUJCSASA-N 463.278 4.547 50 10 JJGE BrCc1ccc(Br)cc1OCCOCCOCCOCc1ccccc1 2227770662 GVDSQJCVRYGIQO-UHFFFAOYSA-N 488.216 4.973 50 10 JJGE FC(F)(F)c1cnc(N2C[C@H](Br)CCC23CC3)c(I)c1 2235745566 DMJQNTMHBGEMCM-SECBINFHSA-N 461.063 4.601 50 10 JJGE COc1ccc([C@@H](Br)C2CC3(CC(OC)C3)C2)cc1I 2284996834 CMJLEDDCDRDFMM-XATBXUDESA-N 451.142 4.941 50 10 JJGE O=S1(=O)CC[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299492625 IQDWKOHROZKWHO-KSSFIOAISA-N 474.214 4.899 50 10 JJGE COc1cc(I)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c1O 2313570939 JOLASXNQTOYKGM-UHFFFAOYSA-N 489.096 4.858 50 10 JJGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)c1 2331325203 VZJWGZRVYUVLGU-KRWDZBQOSA-N 461.543 4.669 50 10 JJGE C[C@@]1(CCBr)CCN(C(=O)c2ccc(Cl)cc2I)C1 2340059649 WNDXGBIHMUJUIX-CQSZACIVSA-N 456.549 4.582 50 10 JJGE CC(C)[C@H](Br)C(C)(C)NC(=O)c1cc(Cl)ccc1I 2340413678 UENBSDNJTZAXGE-LBPRGKRZSA-N 458.565 4.873 50 10 JJGE C[C@H]1CN(C(=O)c2ccc(Cl)cc2I)CC[C@@H]1CCBr 2365582915 XCHKTNFWEYEUQT-QWRGUYRKSA-N 470.576 4.828 50 10 JJGE BrCCCN(Cc1cccc(Br)c1Br)C1CCOCC1 2381159731 QNZOHTFLIJPSKJ-UHFFFAOYSA-N 470.043 4.978 50 10 JJGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C(C)C)cc1 14650658 NNHMLQTXSHYMOQ-UHFFFAOYSA-N 477.399 4.837 50 10 JJGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)c1 38684367 HGOGRUDRUUCFRB-VWLOTQADSA-N 456.498 4.921 50 10 JJGE Cc1cccc(C(=O)N/N=C2\C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)c1 59158183 HQOFWAOEEMKEGP-QLYXXIJNSA-N 466.310 4.578 50 10 JJGE Cc1ccc(C)c(OCCCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)c1 206740826 BHSUDTIAWOBKBI-JWGURIENSA-N 458.514 4.884 50 10 JJGE CCOC(=O)c1ccc(CN/C=C(/C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 217250694 QLUBDWWDZZXUBQ-QINSGFPZSA-N 451.832 4.671 50 10 JJGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1ccc(Br)cc1 217253639 SVGMKMAVKZYWHM-BENRWUELSA-N 482.119 4.820 50 10 JJGE COc1ccc(C=NNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1COc1cccc2cccnc12 252627029 RKMJZNZKDYHOLQ-UHFFFAOYSA-N 470.485 4.803 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccco1 254420282 QFKZJCWGXIRUFU-UHFFFAOYSA-N 470.481 4.704 50 10 JJGE FC1(F)C[C@@H]1OCCOc1c(Br)cc(CBr)cc1Br 689070331 KIBWTHLMGDDKEK-JTQLQIEISA-N 464.926 4.910 50 10 JJGE Cc1occc1C(=O)NC1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 727332645 ISABSUISCJWBOX-QNGOZBTKSA-N 490.991 4.977 50 10 JJGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(OCC)c1)C(C#N)=C(N)O2 1865681753 VYLNZKPVEGCABB-QFIPXVFZSA-N 464.953 4.860 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1865700553 WYTRSXIKESXIKF-CQSZACIVSA-N 452.223 4.811 50 10 JJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865712856 JTPGSZODAWJHEA-HSZRJFAPSA-N 495.495 4.683 50 10 JJGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(OCc4ccccc4)cc3)c(C)n2)cc1OC 1865758116 JUFVSNBAUDJLSN-UHFFFAOYSA-N 497.551 4.728 50 10 JJGE N#CSc1ccc(NC(=O)CNC(=O)c2nn(-c3ccc(Cl)c(Cl)c3)c3c2CCC3)cc1 1868139982 WKRWXIAFKCTJDK-UHFFFAOYSA-N 486.384 4.609 50 10 JJGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CC1CC(Br)C1 1883555785 DJZSUTDAJVPNMM-GTPINHCMSA-N 471.395 4.546 50 10 JJGE Cc1sc(C)c(C[C@@H](Br)CN2C(=O)c3ccccc3C2=O)c1Br 1884177001 ORXMVTZPRGWJFV-LLVKDONJSA-N 457.187 4.730 50 10 JJGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1C[C@H]2CC[C@H]1C[C@]2(C)NC(=O)OC(C)(C)C 1893709055 IGTQAMFGTIZDTC-MZGAPFDFSA-N 461.441 4.994 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)Cc1c(Br)ccc(Cl)c1F 1905372145 SIMYJHUATFVTSF-VIFPVBQESA-N 475.539 4.844 50 10 JJGE C[C@H](Br)C(=O)Nc1cc(Br)c(Br)c(Br)c1 1931650705 SPVYHPXROPMPDM-BYPYZUCNSA-N 464.777 4.696 50 10 JJGE CN(Cc1ncc(Br)cc1Cl)C[C@@H](Br)COCc1ccccc1 1986201593 PCFNEZLZMWONCS-OAHLLOKOSA-N 462.613 4.910 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@H]2C[C@H]1CC[C@H]2Br 2094096097 ULWLEBRFVOLUPF-OPRDCNLKSA-N 451.984 4.600 50 10 JJGE CC1(C)C[C@@H](CBr)N(C(=O)c2cc(Br)cc(Br)c2)C1 2094750283 LJPYWFRCSMSRSN-LBPRGKRZSA-N 454.000 4.847 50 10 JJGE Cc1cc(Br)c(CBr)c(N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1 2116837722 ZSLBCAWPWKPQKF-RTWAWAEBSA-N 480.244 4.742 50 10 JJGE CC(C)[C@@H]1[C@H](Br)CCN1C(=O)c1ccc(Br)cc1Br 2126101674 RGFKSNYKIWEFQV-DGCLKSJQSA-N 454.000 4.846 50 10 JJGE Br[C@H](C[C@@H]1CCCOCC1)c1cc(I)cc2c1OCC2 2145485207 WJXGYCMCDRZDGO-IAQYHMDHSA-N 451.142 4.869 50 10 JJGE O=C(NC[C@@H]1CCCC[C@@H](Br)C1)c1ccc(F)cc1I 2163746724 VHQKUPSNSGHXDY-GHMZBOCLSA-N 454.121 4.504 50 10 JJGE Cc1cc(C(=O)N(CCBr)C2CCCCC2)ccc1I 2207105773 JVUWWZUHXPQJFN-UHFFFAOYSA-N 450.158 4.769 50 10 JJGE O=S(=O)(Cc1ccccc1Br)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2218982857 FXWDAHAJIPCWAN-IBGZPJMESA-N 487.257 4.955 50 10 JJGE Cc1ccc(I)c(C(=O)N[C@H](C)CCCCCI)c1 2232168102 XMURECCMUGKLEU-GFCCVEGCSA-N 485.147 4.713 50 10 JJGE CC(C)(C)OC(=O)N1CC[C@]2(CC[C@](C)(CI)O2)C[C@@H]1C(F)(F)F 2252606062 LMFGSJCAOVPDPB-KCPJHIHWSA-N 463.278 4.691 50 10 JJGE C[C@@]1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)COCCO1 2272747107 GMELKZUISVZSIW-RYUDHWBXSA-N 464.926 4.731 50 10 JJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@H]2CCCO2)c(C)c1 2296707785 KKVWBJRVBVPBIF-RUZDIDTESA-N 468.557 4.615 50 10 JJGE CCN(C[C@](C)(CI)OC[C@H]1C[C@@H]2CC[C@H]1C2)C(=O)OC(C)(C)C 2298751530 NFEVNHYTUYNMFZ-OLMMMNRUSA-N 451.389 4.890 50 10 JJGE CC(C)[C@H](CBr)N(C)Cc1ccc(I)c(Br)c1 2306231338 IFXHLBAXKZUXKR-ZDUSSCGKSA-N 475.006 4.905 50 10 JJGE CN(Cc1ccc(I)c(Br)c1)C[C@H]1C[C@@H](Br)C1 2306248373 BIJXEQVUYHHELS-PHIMTYICSA-N 472.990 4.659 50 10 JJGE COc1ccc(C=C(C#N)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc3ccccc3c2)cc1OC 2329700888 PHJUSHXRMJYOHS-DEOSSOPVSA-N 471.557 4.934 50 10 JJGE O=C(N[C@@H]1C[C@H](CBr)C12CCC2)c1cc(Br)c(Br)s1 2351630706 PPLBWVRDONIVRT-GMSGAONNSA-N 472.040 4.957 50 10 JJGE CC1(C)[C@H]2CO[C@]1(CO[C@H](CI)c1ccc(Br)cc1)C2 2359850032 OGERJKMGSXRZMY-XPKDYRNWSA-N 451.142 4.757 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CC2(CBr)CCC1CC2 2365583780 HDPJJIJZRJLNCD-UHFFFAOYSA-N 468.560 4.724 50 10 JJGE COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)CC(=O)Nc3cccc(C)c3C)c2C)cc1 24863405 INPDTVCAQSWFSS-HZHRSRAPSA-N 470.573 4.724 50 10 JJGE O=C(N/N=c1\oc2ccc(Br)cc2cc1-c1nc2ccccc2[nH]1)c1ccccc1 33668587 QCZKTIPACDKAGQ-NFFVHWSESA-N 459.303 4.984 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(/N=N/c3ccccc3)cc2)c1[N+](=O)[O-])c1ccncc1 40645907 NFCPCCWFZHTFFW-BYYHNAKLSA-N 455.438 4.696 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-])c1ccccc1Br 40658379 XPBXWJJZXSKOGT-UHFFFAOYSA-N 497.231 4.667 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCC)c(OCC)c2)cc1 40971367 CGRLDUOXNNJFEF-QATUVXTASA-N 462.546 4.926 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC 59474965 NLDNOYNOOXNZAW-MHWRWJLKSA-N 476.314 4.943 50 10 JJGE C[C@H](NC(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C)c1ccc(Cl)c(Cl)c1 108786201 IEEGQSSFZTXQLB-AWEZNQCLSA-N 457.361 4.841 50 10 JJGE CC(C)(C)[C@@H](CCBr)NC(=O)c1ccc(I)c(Cl)c1 231163402 AWPOVLQELGCWRB-GFCCVEGCSA-N 458.565 4.874 50 10 JJGE C[C@H](CCc1ccc2c(c1)OCO2)OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 920168720 BBCWNMKFEAMQCU-MLPWYGTASA-N 468.513 4.664 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc(I)cc1 1083886482 COEBQUOWRSPASH-OVCLIPMQSA-N 496.732 4.527 50 10 JJGE COc1cc(C(=O)NN=Cc2ccc(Sc3cccc4cccnc34)o2)cc(OC)c1OC 1084200061 GSUVIPDKQQMMBU-UHFFFAOYSA-N 463.515 4.769 50 10 JJGE C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)NN=Cc1cc(Cl)ccc1[N+](=O)[O-] 1084515922 HYEJSFRBTWSLNS-MRXNPFEDSA-N 453.882 4.745 50 10 JJGE CN1/C(=C(/C#N)C(=O)CSc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)Nc2ccccc21 1087390387 ZHRGFVGFBNDFHG-CLCOLTQESA-N 499.983 4.997 50 10 JJGE C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/C=C2\N(C)c3ccccc3C2(C)C)cc1 1615050819 TVDOBZZYSYKFFL-UYSOTEENSA-N 488.632 4.882 50 10 JJGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2OC)cc1 1865707932 JPQGPGISRBBGGM-DEOSSOPVSA-N 480.524 4.783 50 10 JJGE CC[C@@H](NC(=O)CCCC(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1866798739 PXRDIGYHTQPLRX-LJQANCHMSA-N 488.407 4.909 50 10 JJGE C=Cc1ccccc1OCC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867264765 MFGDRSNWORJNFX-HSZRJFAPSA-N 475.545 4.787 50 10 JJGE Cl[C@H](c1cc(Br)sn1)c1cc(I)cc2c1OCC2 2056491115 PKQKLCCGIMINCK-NSHDSACASA-N 456.530 4.773 50 10 JJGE CS(=O)(=O)c1csc([C@H](Cl)c2cc(I)ccc2Br)c1 2093077384 RIXCFZIIQJFWLN-GFCCVEGCSA-N 491.597 4.847 50 10 JJGE O=S(=O)(NC1(CBr)CC2(CCC2)C1)c1cc(Cl)c(Br)s1 2163547105 TVLJYQCMPAILQS-UHFFFAOYSA-N 463.644 4.540 50 10 JJGE O=S1(=O)CCc2cc([C@H](Cl)c3cc(Br)c(Br)s3)ccc21 2170066063 FHGYUNIISMLATD-LBPRGKRZSA-N 456.608 4.931 50 10 JJGE CN([C@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1cccc(CBr)c1 2179823329 IBIBIMNESBCRDW-VQTJNVASSA-N 452.414 4.586 50 10 JJGE O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N1CCC=C(Br)C1 2179833005 RHSILRKWPXXEFD-UHFFFAOYSA-N 464.006 4.562 50 10 JJGE O=S(=O)(c1cc(Cl)cc(CBr)c1Cl)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2179861571 JPUIAAYEVLTITJ-SJORKVTESA-N 490.250 4.536 50 10 JJGE Cc1cc(Br)c([C@H](Cl)c2nn(C)nc2Br)cc1Br 2219806372 MDILLYCGOYXPOE-VIFPVBQESA-N 458.379 4.739 50 10 JJGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(Br)c(O)cc1O 2248032555 MYMWZHNPIIAZJQ-LBPRGKRZSA-N 457.162 4.676 50 10 JJGE C=CC[C@@]1(CBr)CCCN1c1ncc(I)cc1Br 2259472892 NMSSRTXVSNZJPW-ZDUSSCGKSA-N 485.989 4.759 50 10 JJGE CC1(C)C[C@H](CBr)CN(C(=O)c2ccc(Cl)c(I)c2)C1 2283655839 KMQBCSZIFLXAMV-SNVBAGLBSA-N 470.576 4.828 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H](C)S(C)(=O)=O 2317428025 CHLKQUXIBUVBHC-IMTBSYHQSA-N 466.992 4.528 50 10 JJGE CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3ccc(OC)cc3)sc2c1 2329622618 PKTNWQOFMKWPMF-UHFFFAOYSA-N 498.630 4.661 50 10 JJGE Clc1ccc(CN2CCC3(CC2)C[C@H]3CBr)cc1I 2337226384 YDGQEYOITSKJTK-LBPRGKRZSA-N 454.577 4.942 50 10 JJGE Cn1nc(Br)c(Br)c1[C@@H](Br)Cc1c(F)cccc1F 2338689920 AJIAABRMMBNMNO-ZETCQYMHSA-N 458.926 4.902 50 10 JJGE CCN[C@@H](c1c(C)cc(Br)c(OC)c1Br)[C@@H]1C[C@H]1Br 2339639270 KJJVBANZBHIYDL-JRKPZEMJSA-N 456.016 4.963 50 10 JJGE C[C@@H]1CC[C@H](CBr)CN1C(=O)c1ccc(Cl)cc1I 2340060620 FCMTYCBQFZHMKM-NXEZZACHSA-N 456.549 4.580 50 10 JJGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@@H]1CN(C[C@@H](CBr)C1CCC1)C2 2370173728 AFSYNCKVMIMTHF-MDZRGWNJSA-N 451.396 4.812 50 10 JJGE C[C@@H]1[C@@H](Br)CCN(c2ncc(C(F)(F)F)cc2I)[C@@H]1C 2370660454 JDWHQXNEVJRYCD-XKSSXDPKSA-N 463.079 4.703 50 10 JJGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)cc1OC 31902970 RDXVTSIJCYHIDE-LSCVHKIXSA-N 475.413 4.804 50 10 JJGE CN(C)S(=O)(=O)c1ccc(C(=O)Oc2cccc(/C=C(/C#N)c3ccc(Cl)cc3)c2)cc1 31903030 AYSOOSXOYLICDJ-ZHZULCJRSA-N 466.946 4.874 50 10 JJGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccc(C(C)(C)C)cc4)c(=O)c23)C1 35582934 COVMRBXYDQVYER-JXNJASNQSA-N 450.608 4.592 50 10 JJGE COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2cccc(C)c2C)nc2ccccn2c1=O 39858798 ZJJXWJOPSWZHQF-CYVLTUHYSA-N 466.497 4.658 50 10 JJGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1cccc2ccccc12 40758972 JQDURUYAXCKOHK-UHFFFAOYSA-N 469.332 4.785 50 10 JJGE CCCc1ccc(OCC(=O)Oc2cccc(/C=C(\C#N)C(=O)OCC)c2)c(Br)c1 40944719 FFHRGJFQFBKLRH-WOJGMQOQSA-N 472.335 4.856 50 10 JJGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 58891094 QXZSDQBGFNCZTC-OSYJHYBZSA-N 456.502 4.562 50 10 JJGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)c1 66201433 HHYGXKNYQDJJSJ-UHFFFAOYSA-N 467.610 4.672 50 10 JJGE COc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(Cc2ccc(F)cc2)C(=O)CCl)cc1OC 97914830 YARIMVPZKYVEIJ-FMYUDYQQSA-N 491.003 4.847 50 10 JJGE COc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 101336889 DYZHOMWECAJTDV-CIAFOILYSA-N 472.472 4.799 50 10 JJGE CCCCCCCCC(=O)N1CCC[C@H](C(=O)N/N=C(\CNC(=O)c2ccco2)c2ccccc2)C1 102040921 RLCMIMBQWNYVEX-VUEAAGSJSA-N 494.636 4.519 50 10 JJGE CCS(=O)(=O)CCCC(CBr)(CBr)c1cccc(Br)c1 118878762 YXUOVDUNGDXRRF-UHFFFAOYSA-N 491.083 4.692 50 10 JJGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1 206396315 RIMQBEURHUNUMC-DNZPVPSLSA-N 482.536 4.936 50 10 JJGE COc1ccc(-n2c(SCC(=O)NN=Cc3c[nH]c4ccccc34)nnc2-c2ccccc2)cc1 254518462 DLTYAJQNQXRENY-UHFFFAOYSA-N 482.569 4.667 50 10 JJGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=Cc1ccncc1 254769340 KUDFXWMOAXZFGT-UHFFFAOYSA-N 451.602 4.621 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CCS[C@@H](CCBr)C1 720038226 CNBSFWXQOSNJNF-JTQLQIEISA-N 472.040 4.554 50 10 JJGE CN(C[C@@H]1CCC[C@@H]1Cl)C(=O)c1ccc(I)c(Br)c1 721510430 NTMRFTLFTXPZSZ-JQWIXIFHSA-N 456.549 4.533 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CC[C@H]2CC[C@H](Cl)[C@H]1C2 721512494 HIMMHCNIPZAXHL-LJWDBELGSA-N 468.560 4.676 50 10 JJGE CCO[C@H]1CCC[C@H](OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C1 721655285 WJAUOUKIVHBSPX-HOTGVXAUSA-N 467.388 4.555 50 10 JJGE CC(C)c1ccc(CN2CCN(C(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)CC2)cc1 914463780 CMOONDHOFBRDQX-ZXVVBBHZSA-N 492.627 4.839 50 10 JJGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1O)CCC2 1772751885 PAVVFOJFVNUOTI-UHFFFAOYSA-N 467.909 4.678 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1ccc(F)cc1F 1865702006 KMWFWQDNNGYPDX-INIZCTEOSA-N 450.342 4.586 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccccc1[N+](=O)[O-] 1865709943 KSEATGUAGKUJLL-MRXNPFEDSA-N 493.804 4.869 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865712013 NSDWSOOBKFRHEN-XMMPIXPASA-N 482.515 4.973 50 10 JJGE C[C@@H](Br)[C@@H](NC(=O)c1c(Br)cccc1Br)C(F)(F)F 1882652174 NSTLCEMGWUWJQI-MLUIRONXSA-N 467.905 4.656 50 10 JJGE C[C@H](NCCSSCCNC(=O)OC(C)(C)C)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 1897784410 ZUDUPZYMLLXQJS-BBWFWOEESA-N 463.710 4.564 50 10 JJGE Brc1cccc(CN2C[C@H](Br)C[C@@]3(CCCO3)C2)c1Br 1924261793 ZXIBTQADBVFFRQ-DOMZBBRYSA-N 468.027 4.730 50 10 JJGE O=S1(=O)C[C@H]2C([C@@H](Br)c3c(Br)sc(Br)c3Cl)[C@@H]2C1 2054217528 JDCNYNYXKNNCKD-XAQAVTJOSA-N 499.471 4.653 50 10 JJGE CCCc1ccnc(-n2nc(CBr)c(I)c2C(F)(F)F)c1 2078925807 BHLQJFJANRUOCP-UHFFFAOYSA-N 474.062 4.738 50 10 JJGE Cc1c(Br)ccc([C@H](Br)C(C)(C)S(C)(=O)=O)c1Br 2083337760 KFMLJDOMFHBNOP-NSHDSACASA-N 463.029 4.779 50 10 JJGE O=C(NCCCCCCBr)c1ccc(Br)cc1I 2086147932 UOOSNVYWXBXACJ-UHFFFAOYSA-N 488.989 4.739 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@H](Br)C2(CC2)C1 2093179889 COCAFKUGSFGTOD-LBPRGKRZSA-N 451.984 4.601 50 10 JJGE COc1ccc([C@@H](Br)c2nn(C)c(Br)c2C)cc1Br 2111926188 IKDMLOHFGYWSSJ-LLVKDONJSA-N 452.972 4.746 50 10 JJGE O=C(N[C@@H]1CC[C@H]2C[C@]21CBr)c1ccc(Br)cc1Br 2132117578 XKUPNFRNCKKMMO-PELMWDNLSA-N 451.984 4.505 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1scc(Br)c1Br 2139715023 QJBFVQKWMBJWMQ-AZQAYCESSA-N 472.040 4.955 50 10 JJGE O=C(N[C@H]1CC[C@H](CCl)CC1)c1ccc(Br)cc1I 2142291465 LVAZUFSCFQDKQB-HOMQSWHASA-N 456.549 4.581 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2164659896 SIHUUGUANRHXKT-HERUPUMHSA-N 466.011 4.990 50 10 JJGE CN(C(=O)c1cccc(F)c1I)C1(CBr)CCCCC1 2170166553 PYFLDCWWILVRND-UHFFFAOYSA-N 454.121 4.600 50 10 JJGE Cc1sc(Br)c(C)c1[C@@H](Br)c1cnn(C)c1I 2213642626 UQHLNMDPIZYKDU-VIFPVBQESA-N 490.002 4.950 50 10 JJGE O=C(c1sccc1I)N1[C@H](CBr)C[C@H]2CCCC[C@H]21 2232011446 UAUOJNJJXNWXNP-JFGNBEQYSA-N 454.171 4.521 50 10 JJGE Cc1cnc2c(c1)nc(CCl)n2-c1ccc(Br)cc1I 2240289878 WLUIALRVMWSXAP-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE COc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 2293601542 ORXDHFRLJLDTBE-UHFFFAOYSA-N 458.470 4.527 50 10 JJGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 2313568404 VSVVVYHLWWMZHL-UHFFFAOYSA-N 482.147 4.925 50 10 JJGE N#CC(=CNc1ccc(I)cc1)C(=O)Nc1ccc(Br)cc1 2324090835 VICOUCLSOLGJMH-UHFFFAOYSA-N 468.092 4.512 50 10 JJGE COc1cc(-c2csc(C(C#N)=C(O)c3ccc(NS(C)(=O)=O)cc3)n2)c(OC)cc1Cl 2331376906 INXFNGOUCJSNGC-UHFFFAOYSA-N 491.978 4.802 50 10 JJGE CC[C@@]1(C)[C@H](Br)CCN1C(=O)c1cc(Br)ccc1Br 2336760952 DOYNZXFZFOZJQW-OCCSQVGLSA-N 454.000 4.990 50 10 JJGE CN[C@@H](c1c(C)cc(Br)c(OC)c1Br)[C@H]1C[C@@H](Br)C1 2339649069 RLUKRMJZBMHJCO-VYUIOLGVSA-N 456.016 4.963 50 10 JJGE O=C(c1ccc(Cl)cc1I)N(CCCBr)C1CCC1 2340054431 MUIKZVMSTHLQRY-UHFFFAOYSA-N 456.549 4.724 50 10 JJGE COc1ccc(CCCCO[C@@](C)(CI)CNC(=O)OC(C)(C)C)cc1 2344002456 DEZRTBGNTXKQKJ-FQEVSTJZSA-N 477.383 4.753 50 10 JJGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1ccc(Cl)cc1I 2365587996 DEBVVVVXOGXZDO-NVBBAKCQSA-N 468.560 4.721 50 10 JJGE COc1ccccc1/C=C/C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 10041393 CBADSDCSJCKAMW-QGOAFFKASA-N 471.557 4.719 50 10 JJGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241174 CUEAPBKFMJIRSD-IEQIIXMPSA-N 483.593 4.828 50 10 JJGE CCCOc1c(Cl)cc(/C=N\NC(=O)CSc2nc3ccccc3n2C)cc1Cl 169876393 NNEHNRSWKWLHHL-KSEXSDGBSA-N 451.379 4.911 50 10 JJGE 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)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 200648042 BCQSHKWNDQOMFA-NCRHXMHUSA-N 488.741 4.833 50 10 JJGE in-vitro C[C@H]1Cc2ccccc2N1/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216504867 SLEYNDKABXTLMF-QPQZTTLASA-N 462.597 4.779 50 10 JJGE N#C/C(=C/NCCc1ccccc1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216509938 PALYTSUYTYOCDD-ROMGYVFFSA-N 485.031 4.813 50 10 JJGE CC[C@@H](C)N(CCBr)C(=O)c1cc(Br)ccc1I 310624276 CIGKWEYGWDGPJV-SECBINFHSA-N 488.989 4.689 50 10 JJGE CC(C)(CBr)CCCNC(=O)c1cc(Cl)ccc1I 393392414 QJTFVJMQNBVBSH-UHFFFAOYSA-N 458.565 4.876 50 10 JJGE C[C@@H](Br)[C@H]1CCCCN1C(=O)c1cc(Br)ccc1Br 688778012 QXOHBBIWASQVRX-NOZJJQNGSA-N 454.000 4.990 50 10 JJGE C[C@H]1CCCN(C(=O)c2ccc(I)c(Cl)c2)[C@@H]1CCBr 697197765 BZXPUXRCRVNATK-IINYFYTJSA-N 470.576 4.970 50 10 JJGE Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)c3cccc(OCc4cscn4)c3)cc12 783427528 CXCYXKUHPJEZLW-UHFFFAOYSA-N 489.582 4.506 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc(F)cc2F)c(C)n1-c1ccc(F)cc1 786605201 FJYVRTJXORQINY-YVLHZVERSA-N 453.420 4.600 50 10 JJGE CN(Cc1ccc(Br)cc1)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 914462904 HKVVYZFAYDAMML-XSFVSMFZSA-N 474.362 4.792 50 10 JJGE CC(=O)N(c1nc(C=NNC(=O)c2ccccc2Br)cs1)c1ccc(F)cc1F 916247643 OWSAMHWXSQBNDV-UHFFFAOYSA-N 479.306 4.632 50 10 JJGE CC(=NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)[C@@H]1C[C@H]1c1ccccc1Cl 920361944 DORVSMZJUMFULV-GOTSBHOMSA-N 482.005 4.728 50 10 JJGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CSc2ccc(Cl)cc2)cc1 1084298873 JHCQRKXEKCWQCP-UHFFFAOYSA-N 483.977 4.609 50 10 JJGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cccc(OC)c1O)C(C#N)=C(N)O2 1865684584 SKGJNDXQZZXYHK-HSZRJFAPSA-N 452.514 4.910 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)ccc1OC(C)C 1865696108 CGGUUHIZERCMCA-IBGZPJMESA-N 470.451 4.905 50 10 JJGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865698904 FWYRHJQSEQHLCK-NRFANRHFSA-N 457.921 4.758 50 10 JJGE N#C/C(=C\c1cccc(F)c1)C(=O)Nc1ccc(Br)cc1I 1866131254 LDGJNEVLZBPMPG-IZZDOVSWSA-N 471.067 4.738 50 10 JJGE CC(F)(F)C[C@H](CBr)NC(=O)c1scc(Br)c1Br 2050363471 ASODLEQWKPMKOS-RXMQYKEDSA-N 469.971 4.812 50 10 JJGE COc1sc([C@H](Br)c2c(Br)c(C)nn2C)cc1Br 2072300383 KDVISVPOQLQRGK-VIFPVBQESA-N 459.001 4.808 50 10 JJGE Cc1nn(C)cc1CC(CBr)(CBr)c1cccc(Br)c1 2143441774 BGMXKWSLAGKIPY-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CC[C@@H]2C[C@H](Cl)CC[C@H]21 2143979062 VDPQWJLVERDAEZ-GLXFQSAKSA-N 468.560 4.676 50 10 JJGE C[C@]1(CCl)CC(F)(F)CN1C(=O)c1cc(I)ccc1Br 2159055146 TUDNWUURKFTZSQ-GFCCVEGCSA-N 478.502 4.532 50 10 JJGE O=C(c1cc(I)ccc1Br)N1[C@H](CCl)C[C@@H]2CCC[C@@H]21 2164659628 QDTATUMRMWAXQF-CHIMOYNISA-N 468.560 4.676 50 10 JJGE CN(C(=O)c1cc(I)ccc1Br)C1(CCl)CCSCC1 2171185691 LTHHPPXIJJZCOC-UHFFFAOYSA-N 488.616 4.630 50 10 JJGE O=C(NCC[C@@H]1CCCC[C@H]1Cl)c1cc(I)ccc1Br 2179636007 FSCGDANGFJPHMQ-IINYFYTJSA-N 470.576 4.971 50 10 JJGE Cc1csc(CN(C)S(=O)(=O)c2cc(CBr)cs2)c1Br 2179817762 RKYZXDOZGMEXJZ-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCc1ccc(C(F)(F)F)cc1 2223312548 RVGUTUQRSFZPSV-INIZCTEOSA-N 473.273 4.940 50 10 JJGE COc1cc(Br)c([C@@H](Br)c2nn(C)cc2Br)cc1C 2227734517 ZLFUXAFMLYLXEK-GFCCVEGCSA-N 452.972 4.746 50 10 JJGE O=C(c1cc(Br)ccc1I)N1C[C@H](Cl)CC12CCCC2 2241027282 STOLYJDFCBGSIU-LLVKDONJSA-N 468.560 4.820 50 10 JJGE COc1ccc([N+](=O)[O-])cc1NC(=O)C(C#N)=Cc1ccc(OC(=O)c2cccc(F)c2)c(OC)c1 2293394392 KVBZEAIFFGAPSY-UHFFFAOYSA-N 491.431 4.516 50 10 JJGE C[C@H]1CCN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@@H]1CBr 2295307848 PVYUMPIHSPCXJS-JQWIXIFHSA-N 468.027 4.634 50 10 JJGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1cc(Br)ccc1Br 2330898531 AAPSDXFNXAUYTE-GYBADROVSA-N 451.984 4.503 50 10 JJGE BrCC1C[C@@H]2C[C@H](C1)CN(c1ncc(Br)cc1Br)C2 2342490184 JPPRLCGXACYBHM-FGWVZKOKSA-N 453.016 4.854 50 10 JJGE CCn1cnc(OCc2ccc(I)c(Br)c2)c1CCl 2350076845 LHJRSUWMFNNWBV-UHFFFAOYSA-N 455.521 4.588 50 10 JJGE COc1ccc(CCN[C@@H](C)CCCCCI)c(Br)c1 2364879061 UNSRAYYASGDGRP-ZDUSSCGKSA-N 454.190 4.974 50 10 JJGE CCOc1ccc(NC(=O)[C@@H](c2ccccn2)N(C(=O)CCl)c2ccc(OCC)cc2)cc1 4789142 AIYAXQOIHLLLFB-XMMPIXPASA-N 467.953 4.831 50 10 JJGE Cc1cc(OCC(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc(C)c1Cl 14645578 KBZQKPBXDOQRFE-UHFFFAOYSA-N 497.817 4.984 50 10 JJGE O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1ccc(NC(=O)c2ccccc2)cc1 15775806 WYJUOZGHXMYDFS-VUTHCHCSSA-N 463.493 4.922 50 10 JJGE N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)NC[C@H]1CCCO1 34718982 RLIKORMCIUSBMZ-WSDUQJHMSA-N 475.770 4.884 50 10 JJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1 38650649 XKORAKIRUQBYPX-XMMPIXPASA-N 471.469 4.821 50 10 JJGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1Nc1ccccc1C(F)(F)F 40701829 NBEJPXFNFQZHAI-UHFFFAOYSA-N 457.243 4.885 50 10 JJGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1Nc1ccc(Cl)cc1Cl 40783284 XORWWZAALUUXAX-UHFFFAOYSA-N 468.142 4.629 50 10 JJGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C(C)C)c(C)c2)c(OC)c1 40879839 OFYCZQWVXHKPRM-DEDYPNTBSA-N 450.535 4.545 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3cc(C(=O)OC)ccc3C)c2C)cc1 58894528 SEEQGLFEZWZZOK-MKFKGKHESA-N 491.588 4.552 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)cc1 58894767 IBDKEFRCRYIZOP-JOODZBNRSA-N 451.479 4.526 50 10 JJGE O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1ccccc1Cl 59165778 DMJVWTZKZGDHRO-QLYXXIJNSA-N 482.765 4.826 50 10 JJGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242447 PURHSASOKJZLBT-YMGIJWJESA-N 491.544 4.560 50 10 JJGE COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)c1C 105283664 RNPQVBIQHSVTLM-QHSFOXILSA-N 459.594 4.680 50 10 JJGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3sccc3Br)cc2[nH]1 111536833 JIDZWSDQAVGYRC-SNVBAGLBSA-N 466.980 4.927 50 10 JJGE C[C@@H](CCCBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 136683890 ZFJSMEPLEOVFMM-ZETCQYMHSA-N 454.011 4.598 50 10 JJGE COc1cc(/C=C(/C#N)c2ccccc2)ccc1OC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O 197819901 PYGSGJLDVTXAQJ-KMDCTSKHSA-N 480.520 4.986 50 10 JJGE CCCOc1ccc(/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OCC 214397019 VSZLOALAXPZDCV-HMAPJEAMSA-N 460.530 4.675 50 10 JJGE CC(C)[C@H](CI)NC(=O)c1cc(C(F)(F)F)ccc1Br 232728026 NBRUZVRTYRZBQG-NSHDSACASA-N 464.063 4.657 50 10 JJGE CC(=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1cccc(O)c1 254382779 ZINMUHWQWZBFKA-UHFFFAOYSA-N 457.559 4.581 50 10 JJGE COc1ccccc1/C=C/C=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C 254615166 WYIDXVZAPZNCIF-FCEYSVACSA-N 484.581 4.610 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc3ccccc3c2)ccc1OC(=O)/C=C\c1ccccc1 254812696 SVGUVUZGAPSRFW-VEEBCDQRSA-N 480.520 4.996 50 10 JJGE Cc1ccc(-n2c(CCl)nc3cc(Br)cnc32)cc1I 312263778 MJDUCTIDARMPMA-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE COc1ccc(F)cc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382694371 WXUQNDRBAMXXAT-MAUKXSAKSA-N 469.294 4.622 50 10 JJGE CCOc1ccc([C@@H](Br)c2nn(C)cc2Br)cc1Br 693122484 OFWTXQHEWBQKKD-GFCCVEGCSA-N 452.972 4.828 50 10 JJGE BrCC(CBr)(Cc1ccc(Br)cn1)C1CCOCC1 696853629 ONUNLGQMTQQOHS-UHFFFAOYSA-N 456.016 4.589 50 10 JJGE CCO[C@H](CO[C@@](C)(CI)c1ccccc1Br)C1CC1 703478072 HTGUQBGFXGDYNC-CVEARBPZSA-N 453.158 4.931 50 10 JJGE C[C@H]1CC[C@H](CCl)CN1C(=O)c1ccc(I)c(Br)c1 721510448 OAUMRWSDIIBJOM-VHSXEESVSA-N 456.549 4.533 50 10 JJGE O=C(N[C@H]1CCCCC[C@@H]1Cl)c1ccc(I)c(Br)c1 721619095 KSHVPZVUIBMYLE-AAEUAGOBSA-N 456.549 4.724 50 10 JJGE Cc1csc([C@H](C)NC(=O)NNC(=O)c2ccc(COc3ccc(Cl)c(C)c3)cc2)n1 727942373 IGPOCCFFEQQDFP-HNNXBMFYSA-N 458.971 4.698 50 10 JJGE O=C(NNc1ccc(F)c(F)c1F)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 728716680 ASAIARUQBJQMBX-UHFFFAOYSA-N 457.496 4.693 50 10 JJGE CC(=NNC(=O)Cc1nn2c(C3CCCCC3)nnc2s1)[C@@H]1C[C@H]1c1ccccc1Cl 920369489 WHGUXADLCMRGKK-IRXDYDNUSA-N 457.003 4.725 50 10 JJGE C=CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1 1083955193 CDSFSHFGKPNAON-LKUDQCMESA-N 466.585 4.915 50 10 JJGE COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC 1084238444 XIZMDYPTEPDWTG-WZUFQYTHSA-N 466.675 4.574 50 10 JJGE COc1ccc2ccccc2c1C=NNC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 1084289756 WAIRQGUUHNFMLQ-UHFFFAOYSA-N 452.517 4.609 50 10 JJGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNc1ccccc1)CCC2 1772750563 DDRARXLAKYVJJK-UHFFFAOYSA-N 481.350 4.578 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714498 LVXZUILVAPVBQF-IBGZPJMESA-N 493.401 4.876 50 10 JJGE O=C(NC[C@H]1CC[C@H](CCl)CC1)c1cc(I)ccc1Br 1922673796 BPTRSLMMUGJJNI-XYPYZODXSA-N 470.576 4.829 50 10 JJGE O=S1(=O)CC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923050812 ZVSDGKQLDZPUFF-UJURSFKZSA-N 487.460 4.797 50 10 JJGE CCC[C@@H](Br)CCNC(=O)c1cc(I)ccc1Br 2029922280 KXUBZHTVKZOGCB-SECBINFHSA-N 488.989 4.737 50 10 JJGE BrCC12CCC(CC1)N(c1ncc(I)cc1Br)C2 2069530973 BRGFGHZASKDDSZ-UHFFFAOYSA-N 485.989 4.593 50 10 JJGE O=C(NC1CC([C@@H](F)CBr)C1)c1csc(Br)c1Br 2078361934 GTTPWCYGGFAGJY-QIECLKSESA-N 463.992 4.515 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CCC[C@H](CBr)CC1 2092327726 DSTNYELXJMJBII-JTQLQIEISA-N 454.000 4.849 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@@H](Br)[C@H]1C1CC1 2130608362 SPHNKFHXTOYORU-DGCLKSJQSA-N 451.984 4.600 50 10 JJGE CC1(C)C[C@H](Cl)CN(C(=O)c2ccc(Br)cc2I)C1 2142280796 IYDYQVYHUZAIPC-JTQLQIEISA-N 456.549 4.533 50 10 JJGE CCCN1CCC[C@@H]([C@@H](Cl)c2scc(Br)c2Br)S1(=O)=O 2145766940 HOHTVYMAYYVFLA-GXSJLCMTSA-N 465.660 4.757 50 10 JJGE O=S1(=O)CCC[C@@H]([C@@H](Br)c2scc(C(F)(F)F)c2Br)C1 2146094070 CYMJMADUMXXXCT-HTRCEHHLSA-N 456.143 4.790 50 10 JJGE O=C(N[C@H]1CCCC[C@H]1CCBr)c1cc(I)ccc1F 2169666184 SGACOMSKGJJAOX-HZMBPMFUSA-N 454.121 4.504 50 10 JJGE CN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(CBr)sc1Br 2179793485 UZEFLDDUFSRQNB-UHFFFAOYSA-N 479.668 4.941 50 10 JJGE Cc1cc(CBr)cc(S(=O)(=O)N(C)[C@@H]2CC[C@@H]2OCc2ccccc2)c1C 2179854871 ZHMXDSGSIJYFAZ-UXHICEINSA-N 452.414 4.567 50 10 JJGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N(C)[C@H]1CC[C@@H]1OCc1ccccc1 2179859537 FRXDEZCZLDBSGU-OALUTQOASA-N 472.832 4.912 50 10 JJGE C[C@H](CO[C@H](CI)c1cccc(Br)c1)N1CCCCC1 2186731958 BRVXQUZRCOLILF-CZUORRHYSA-N 452.174 4.816 50 10 JJGE CC(C)(C)OC(=O)NCc1ccc2c(c1)N(CCCCCI)CCO2 2220219694 IZDDOHPXHJYCPA-UHFFFAOYSA-N 460.356 4.515 50 10 JJGE Cn1nc(Br)c([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)n1 2226972646 QAQWHVOHBQJTNQ-ZCFIWIBFSA-N 480.332 4.756 50 10 JJGE COc1cccc([C@H](CI)OC2CCN(Cc3ccccc3)CC2)c1 2259433407 QPJNNAPOBAQSND-NRFANRHFSA-N 451.348 4.853 50 10 JJGE Cc1cc(Br)c([C@H](Br)c2nn(C)nc2Br)c(C)c1F 2264465340 ZJTVELIAVHZKGO-VIFPVBQESA-N 455.951 4.580 50 10 JJGE CCN(C(=O)Cc1cc(Br)cc(Br)c1)C(C)(C)CBr 2277918220 ULBGNQQBSGHZFJ-UHFFFAOYSA-N 456.016 4.776 50 10 JJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@H]2CCCO2)cc1C 2296729515 TUVHMEAQHADDMQ-RUZDIDTESA-N 468.557 4.615 50 10 JJGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314440611 QWXFHYLQYKBBQD-ISARSNTHSA-N 486.225 4.755 50 10 JJGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccccc2C)cc1 2314531853 FIPLFTCFJMQAET-UHFFFAOYSA-N 466.497 4.658 50 10 JJGE N#CC(=Cc1c[nH]c2ccccc12)C(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2 2314656347 KXPQJHWADLBGQW-GOSISDBHSA-N 474.586 4.563 50 10 JJGE COc1ccc(-c2csc(C(C#N)=Cc3cc4c(cc3[N+](=O)[O-])OCCO4)n2)c(OC)c1OC 2331492741 MBBVUANFIFENSF-UHFFFAOYSA-N 481.486 4.579 50 10 JJGE C[C@@H](Br)CC(C)(C)CNC(=O)c1ccc(Cl)cc1I 2340057590 KDFABHFXMPNHRO-SECBINFHSA-N 458.565 4.874 50 10 JJGE CC(C)[C@H](Br)C(C)(C)NC(=O)c1ccc(Cl)c(I)c1 2340406804 PTUFIXUBIKPVJT-LBPRGKRZSA-N 458.565 4.873 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1[C@H]2CCC[C@H]2C[C@@H]1CBr 2354694300 QNXNXWPIODKXRN-PXWWUCIGSA-N 468.560 4.723 50 10 JJGE CC(C)(C)OC(=O)N[C@@]12CCC(F)(F)C[C@H]1CN(CC1(CBr)CCCC1)C2 2370174015 DDRWZXPSHWVZEL-HNAYVOBHSA-N 451.396 4.956 50 10 JJGE O=C(NC1CCCCCC1)[C@H](c1ccccc1F)N(Cc1ccc2c(c1)OCO2)C(=O)CCl 3038759 WVYYVQAJNCTYCQ-DEOSSOPVSA-N 474.960 4.702 50 10 JJGE COc1ccc(/C=C/C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 12492102 JNGCDYHNCGJTHT-CNHKJKLMSA-N 471.557 4.719 50 10 JJGE C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 14665768 UBODTIMFWXIXFC-INIZCTEOSA-N 499.405 4.894 50 10 JJGE O=C(COc1ccc(Br)cc1)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 40858731 OVFSYVFTLKAVHY-VULFUBBASA-N 462.347 4.981 50 10 JJGE COc1ccc(/C(C)=N\NC(=O)CCCSc2nc3ccc([N+](=O)[O-])cc3s2)c(OC)c1 58991310 OQEGYJQJBZHDMB-QRVIBDJDSA-N 474.564 4.634 50 10 JJGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 101335797 MKXWCYJXRRAKEI-HYARGMPZSA-N 450.922 4.548 50 10 JJGE CC1(C)c2ccccc2N2CCC(=O)N[C@@]21/C=C\c1ccc(N(CCCl)CCCl)cc1 104631757 NYHFJYYJQHIJQX-RCZVZRIZSA-N 458.433 4.998 50 10 JJGE BrCc1ccc(Br)cc1N1CC[C@H](N2CCN(Cc3ccccc3)CC2)C1 312687475 QBDDONAXHXOKTK-NRFANRHFSA-N 493.287 4.741 50 10 JJGE CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1cn(C)nc1-c1ccc2c(c1)OCCCO2 767870071 ALXWRWDXWOYJGM-KGENOOAVSA-N 456.546 4.919 50 10 JJGE N#C/C(=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)N1CCN(c2ccccc2)CC1 1084176588 AKPVVDAXGLKSLI-JXAWBTAJSA-N 462.893 4.764 50 10 JJGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2c(-c3ccccc3)[nH]c3ccccc23)cc1 1467443329 QLXFYOJYICWLTG-QGZVFWFLSA-N 456.502 4.658 50 10 JJGE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC/C2=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1614070859 WMVYBBWDFRHJPT-GGHBFVJASA-N 478.505 4.851 50 10 JJGE CCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)cc1 1772745438 ZNKYYHMJYULLHZ-UHFFFAOYSA-N 460.490 4.781 50 10 JJGE O=C(O)CCC(=NNC(=O)COc1ccc(-c2ccccc2)cc1Br)c1ccccc1 1772753038 ISCKRWVXPNHLLU-UHFFFAOYSA-N 481.346 4.880 50 10 JJGE COc1cc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)ccc1O 1772755384 DRPWOWHIXVMXEM-UHFFFAOYSA-N 463.372 4.770 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865698996 IBPNAQWCCAQOMF-NRFANRHFSA-N 457.921 4.758 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1ccccc1C(=O)O 1865703938 JALKOTTVFOUNCO-INIZCTEOSA-N 474.826 4.520 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1 1865713148 RUNOIUFPQCVAEI-HSZRJFAPSA-N 450.498 4.775 50 10 JJGE CSCC[C@@H](NC(=O)Cc1nc(-c2ccc(C)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866652871 OAXSGTNEONTGBF-OAQYLSRUSA-N 494.642 4.951 50 10 JJGE C[C@@H](Br)[C@@H](NC(=O)c1cccc(Br)c1Br)C(F)(F)F 1882640661 VNIIASSYUABOOV-MLUIRONXSA-N 467.905 4.656 50 10 JJGE C[C@H](Br)[C@@H](NC(=O)c1c(Br)cccc1Br)C(F)(F)F 1882652175 NSTLCEMGWUWJQI-SSDLBLMSSA-N 467.905 4.656 50 10 JJGE CC(C)(C)OC(=O)N[C@H](CBr)Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 1885097104 ODWWONPMQXGULN-INIZCTEOSA-N 455.393 4.815 50 10 JJGE Brc1cc(CNC2CC2)cc(Br)c1OC[C@H]1C[C@@H]1Br 1887832780 JYLATZSGMVPNCB-KOLCDFICSA-N 454.000 4.626 50 10 JJGE Cc1cc(C(=O)N[C@@H](CCBr)COCc2ccccc2)sc1Br 1902796524 NONFNCRRJOPYNG-AWEZNQCLSA-N 461.219 4.919 50 10 JJGE C[C@@H](Br)C(C)(C)CNC(=O)c1ccc(I)c(Br)c1 1913829805 IKAWQUJMKLGOLQ-MRVPVSSYSA-N 488.989 4.593 50 10 JJGE CCOC(=O)[C@@H](Br)Cc1cc(Br)c(Br)c(Br)c1 1946434025 FDXYFEARSWPUFT-VIFPVBQESA-N 493.815 4.843 50 10 JJGE CC[C@H](C)[C@@H](Br)CNC(=O)c1cc(I)ccc1Br 2029976410 CAKOOWBTBOPYPD-UFBFGSQYSA-N 488.989 4.593 50 10 JJGE O=C(CBr)c1ccc(C(F)(F)F)c(Br)c1I 2054878847 WJQTZBAJOMEXBO-UHFFFAOYSA-N 471.836 4.650 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2065403639 OROJHECBROUWFH-JIGDXULJSA-N 458.013 4.519 50 10 JJGE C[C@@H](Br)[C@H](NCc1ccc(I)c(Cl)c1)C(F)(F)F 2086655332 NBSNEVZCOBDZTF-LDWIPMOCSA-N 456.471 4.749 50 10 JJGE Fc1cc(Br)cc(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1CBr 2114266946 ZZJNVCIUZKTIES-WOJBJXKFSA-N 484.207 4.573 50 10 JJGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)N1CCCC[C@@H]1CBr 2123231524 FSYFGBBHNOAMSO-SJLPKXTDSA-N 457.459 4.806 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@@H](Br)[C@H]1C1CC1 2130608424 SXGKPQCQXXZSCM-DGCLKSJQSA-N 451.984 4.600 50 10 JJGE O=S(=O)(NCC[C@@H](Br)C1CC1)c1c(Cl)cc(Br)cc1Cl 2146610930 VIWZHZSXVXCTEI-SECBINFHSA-N 466.022 4.598 50 10 JJGE CN(C(=O)c1cc(I)ccc1Br)[C@@H](CCCl)C(F)(F)F 2178515927 QHJRIPVYOAOCPV-JTQLQIEISA-N 484.481 4.686 50 10 JJGE C[C@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)cc1Cl 2179795973 YLJGBADSPKJIIA-INIZCTEOSA-N 471.848 4.520 50 10 JJGE CC(C)(C)[C@@H]1[C@H](Br)CCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2185112179 ZWZQISSAGZHEHU-XCBNKYQSSA-N 465.660 4.737 50 10 JJGE O=C(c1cc(Br)sc1Br)N1[C@H]2CC[C@@H](Br)[C@H]1CC2 2222296712 WCSJASUMXIFITP-NBEYISGCSA-N 458.013 4.804 50 10 JJGE CCN(C(=O)c1cc(Br)ccc1Br)[C@H]1CCC[C@H]1Br 2224417859 BRNMKWYUBAYGEZ-OLZOCXBDSA-N 454.000 4.990 50 10 JJGE C[C@H]1[C@@H](Cl)C[C@@H](C)CN1C(=O)c1cc(I)ccc1Br 2227614336 BDSJTCIPNLIEIH-ZDMBXUJBSA-N 456.549 4.532 50 10 JJGE O=C(c1sccc1I)N1C[C@@H](Br)CC12CCCCC2 2232252459 GYXWFIMUYDGCIQ-JTQLQIEISA-N 454.171 4.665 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H](Br)CC12CCCC2 2241029460 HGYXOYYZRMKAQW-NSHDSACASA-N 468.560 4.867 50 10 JJGE CCN(C[C@@](C)(CI)OCC1CC2(CC(F)C2)C1)C(=O)OC(C)(C)C 2260124169 QNJMOOHGMXCESL-LZUQWOSISA-N 469.379 4.982 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1CCCCC[C@@H]1Br 2295316003 SHOJLBNAAIHEMA-UONOGXRCSA-N 468.027 4.967 50 10 JJGE COc1ccc(CNC(=O)C(C#N)=Cc2ccc(OC)c(COc3cc(F)ccc3[N+](=O)[O-])c2)cc1 2295672733 ZUIQBNUHHLUKCZ-UHFFFAOYSA-N 491.475 4.553 50 10 JJGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cccc(F)c1Br 2303546623 HCVWMMCKWACJKA-CQSZACIVSA-N 459.153 4.688 50 10 JJGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)NC)cc1 2314592834 CQCHCJZWTHQCNX-SFHVURJKSA-N 476.385 4.564 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1c(C)ccc(C)c1C 2314760616 QMNBMDPPSCVORB-UHFFFAOYSA-N 488.540 4.811 50 10 JJGE CCOC(=O)c1c(C)nn(-c2cccc(F)c2)c1NC(=O)C(C#N)=Cc1ccc(Cl)cc1 2329654395 AYZVUCVCIFIJKJ-UHFFFAOYSA-N 452.873 4.696 50 10 JJGE CS(=O)(=O)Nc1ccc(C(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 2331260596 PVRKIMVVLRJRDF-UHFFFAOYSA-N 476.377 4.894 50 10 JJGE O=S1(=O)C[C@@H]2CCC[C@@]2([C@H](Br)c2sc(Cl)cc2I)C1 2338557252 UPDRKSMORIJMJH-UPZJHPNMSA-N 495.629 4.657 50 10 JJGE ClCCc1ccc(OCc2ccc(I)c(Br)c2)nc1 2350077523 UELHMKWEWJITAA-UHFFFAOYSA-N 452.517 4.809 50 10 JJGE CCn1nc(Br)c(COc2c(CBr)ccc(C)c2Br)n1 2381132551 CBVMRIXUTLMWJY-UHFFFAOYSA-N 467.987 4.605 50 10 JJGE Cc1ccccc1-n1c(SCC(=O)NNC(=O)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 11198282 WUDYPXJFWYDVBD-UHFFFAOYSA-N 495.967 4.589 50 10 JJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 12569951 GFZLNEXEBRJPLJ-AWEZNQCLSA-N 488.396 4.763 50 10 JJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 13981596 RQRGDWIRSVXEPQ-UHFFFAOYSA-N 479.536 4.754 50 10 JJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1 14644425 AVCFIYKFYCCQRD-ZIAGYGMSSA-N 483.790 4.610 50 10 JJGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1cccc(C)c1 14648638 UADQMTYVLDFNED-UHFFFAOYSA-N 492.439 4.666 50 10 JJGE N#C/C(=C/c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)C(=O)NCCCn1ccnc1 35447113 IKIOPDAPJMQUSE-OYKKKHCWSA-N 480.616 4.650 50 10 JJGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1 38651591 PFKBBPLQTPKUKU-XMMPIXPASA-N 491.341 4.960 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@@H]1c1ccccc1F 38651895 CQOFZCWWFMOODI-QHCPKHFHSA-N 450.853 4.682 50 10 JJGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)c1 38684424 GETNBPWSBYUZEU-HHHXNRCGSA-N 470.525 4.986 50 10 JJGE O=C(Cc1ccccc1)NNC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 39852368 BYTSHGWMPNOEIF-UHFFFAOYSA-N 470.476 4.623 50 10 JJGE COc1ccccc1C(=O)NNc1ncnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-] 40658514 OLTMQPYAGZKIOF-UHFFFAOYSA-N 482.806 4.566 50 10 JJGE Cc1c(C(=O)NNc2ccccc2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813582 PXEVVLHYKUEHAL-QUPMIFSKSA-N 452.514 4.969 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2cc(C)ccc2C)c(OC)c1 40990561 AHFPFSLLFOBYFQ-CJLVFECKSA-N 464.562 4.900 50 10 JJGE CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2)cc1OC 207091512 YBJHCEFNBCCLMQ-BCILLQGRSA-N 492.572 4.553 50 10 JJGE COc1ccc(C(=O)NN=Cc2ccc(OC)c(OC(=O)c3cccc4ccccc34)c2)cc1 252640464 YUMVGIANDVPLOU-UHFFFAOYSA-N 454.482 4.840 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)COc2ccc(OC)cc2)cc1 254386414 MUOXUMHYNBCZDH-UHFFFAOYSA-N 484.556 4.866 50 10 JJGE C[C@H]1CCCN(C(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)C1 256020043 UALGXJUZIFPPRB-KTQGLZRJSA-N 486.086 4.931 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2cccc(Br)c2)C1 382681435 CVNNEYXDGKIBKN-TZMCWYRMSA-N 466.157 4.835 50 10 JJGE C[C@@H]1CC[C@H](CBr)CN1C(=O)c1ccc(I)c(Cl)c1 688706019 PHSSBDDLUOPKKC-NXEZZACHSA-N 456.549 4.580 50 10 JJGE O=C(NN=Cc1ccccc1OS(=O)(=O)c1ccccc1)c1ccc(OCc2ccccc2)cc1 1081086751 DLXYUAMAELRHMP-UHFFFAOYSA-N 486.549 4.797 50 10 JJGE CCOc1ccc(Br)cc1C=NNC(=O)[C@H](C)Oc1ccccc1Br 1083859509 BOCXAHHXVGHFQW-LBPRGKRZSA-N 470.161 4.528 50 10 JJGE COc1cc(Br)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c1OC 1084366760 YNCMLGFCFQWUAW-UHFFFAOYSA-N 482.128 4.739 50 10 JJGE C#Cc1cccc(NC(=S)NNC(=O)C(C)(C)c2csc(-c3ccc(F)cc3C)n2)c1 1154050717 VWVJAZMETIRSDB-UHFFFAOYSA-N 452.580 4.534 50 10 JJGE C=CCOc1cccnc1C(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 1463951641 QPKCQFXHJSHMPY-UHFFFAOYSA-N 458.905 4.590 50 10 JJGE Cc1cc(OCC(=O)NN=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)ccc1Cl 1772752326 VSBJMGKUPJELTQ-UHFFFAOYSA-N 468.340 4.748 50 10 JJGE CCOc1ccccc1NC(=O)COc1cccnc1NC(=O)Nc1ccc(SC#N)cc1 1858829747 XARYAUUMAFKBSY-UHFFFAOYSA-N 463.519 4.715 50 10 JJGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)cc1OCC 1865687095 JHHNTWYYVIUCNU-QGZVFWFLSA-N 450.461 4.718 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cc(C)ccc1O)C(C#N)=C(N)O2 1865687498 SKDCCUXFMIDATD-FQEVSTJZSA-N 465.351 4.820 50 10 JJGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696162 KMJJZRDGSVLXBF-NRFANRHFSA-N 479.378 4.797 50 10 JJGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865697105 XEYPOYQBSLNBQU-FQEVSTJZSA-N 495.377 4.579 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)c1OC 1865701215 PCPIXVBBXMEHMN-LJQANCHMSA-N 457.317 4.723 50 10 JJGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714005 ASGCVWKJMVORPQ-LJQANCHMSA-N 453.315 4.614 50 10 JJGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)CCC(=O)c1ccccc1 1865759472 BZJZEVDENQUCRU-UHFFFAOYSA-N 456.329 4.788 50 10 JJGE CSCC[C@H](Br)CCNC(=O)c1cc(Br)sc1Br 2029923409 HPTJMXOEJWYVRZ-SSDOTTSWSA-N 480.085 4.910 50 10 JJGE CCC[C@@](C)(CBr)NC(=O)c1cc(I)ccc1Br 2029943150 BFCHPSFOSICPII-ZDUSSCGKSA-N 488.989 4.737 50 10 JJGE CCCn1c(C)cc(C(=O)C(C#N)=Cc2ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c2)c1C 2040448440 SAQQKGMSHKZVMY-IBGZPJMESA-N 451.567 4.559 50 10 JJGE COCCN(C(=O)OCC1c2ccccc2-c2ccccc21)c1nc(CCl)c(C(=O)O)s1 2081068570 FOLTXKKAGNKULV-UHFFFAOYSA-N 472.950 4.982 50 10 JJGE Cc1c(Br)c(COc2ccc(CBr)cc2Br)nn1C 2093828225 AINFVGYJNWQLGE-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE CC1(C)CC(CBr)(NC(=O)c2c(Br)cccc2Br)C1 2107256058 HKCMJOADYJYGIE-UHFFFAOYSA-N 454.000 4.895 50 10 JJGE C[C@]1(CCBr)CCN(C(=O)c2cccc(Br)c2Br)C1 2131895433 MFWAPJRBMDJXJC-AWEZNQCLSA-N 454.000 4.849 50 10 JJGE C[C@@]1(CCBr)CCN(C(=O)c2cccc(Br)c2Br)C1 2131895434 MFWAPJRBMDJXJC-CQSZACIVSA-N 454.000 4.849 50 10 JJGE BrCC(CBr)(COC[C@H]1CCCO1)c1ccc(Br)cc1 2149033258 DRHRQPXJYHAKLU-CQSZACIVSA-N 471.027 4.672 50 10 JJGE C[C@H]1[C@H](Cl)C[C@H]2CC[C@H]1N2C(=O)c1ccc(Br)cc1I 2207275461 LWVNXLYPZIWEKX-NVBBAKCQSA-N 468.560 4.674 50 10 JJGE BrC[C@@]12CCCO[C@@H]1CN(Cc1cc(Br)ccc1Br)C2 2238837862 ZELUIYAHUGXJII-HUUCEWRRSA-N 468.027 4.588 50 10 JJGE CC(C)(C)OC(=O)NC[C@@](C)(CBr)OCc1c(F)cc(Br)cc1F 2250051044 KILYZJSJYHZCMY-MRXNPFEDSA-N 473.152 4.922 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 2257994920 NFWULPTYTLSKAJ-WAAHFUDESA-N 489.748 4.954 50 10 JJGE O=C(c1csc(I)c1)N1C[C@H](Br)C[C@@H]2CCCC[C@@H]21 2264821509 FONVDEKFQYHRNO-WCQGTBRESA-N 454.171 4.521 50 10 JJGE C[C@@](CI)(OCCOC(F)(F)F)c1ccccc1Br 2265066327 NCBJLQPDUGHEFD-NSHDSACASA-N 453.036 4.652 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@@H](Br)CC12CCC2 2283660570 CPXUEWWRSSKEMM-LLVKDONJSA-N 468.560 4.867 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@H]2CC[C@@H](Br)[C@H]1C2 2283664830 SKPQPYRHGGGNDR-GLXFQSAKSA-N 468.560 4.723 50 10 JJGE C[C@H]1C[C@H](CBr)CN1Cc1ccc(I)c(Br)c1 2306228528 SCPWYGJGUNNJCS-GXSJLCMTSA-N 472.990 4.659 50 10 JJGE O=C1Cc2cc([C@H](Br)c3cnsc3Br)c(Br)cc2N1 2337333894 GJVBLLDDJMRWSZ-NSHDSACASA-N 466.980 4.647 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCCS(=O)(=O)C1 2365218941 FWLBUNPGPHXQQW-GZMMTYOYSA-N 493.030 4.920 50 10 JJGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 1888975 PSCPCJIHRJWPLW-GUNDDFSMSA-N 489.547 4.750 50 10 JJGE Cc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1Br 12403517 UYWLBUVHPMZZCJ-UHFFFAOYSA-N 498.215 4.658 50 10 JJGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 14650787 GQGACFBLFBOXDS-UHFFFAOYSA-N 490.398 4.543 50 10 JJGE COc1ccc(Cl)c(CC(=O)N/N=C/c2ccc(OCc3ccccc3F)c(OC)c2)c1 169922142 PNGASFIFBJGSCD-MZJWZYIUSA-N 456.901 4.768 50 10 JJGE CC(C)(CCCBr)CNS(=O)(=O)c1cc(Cl)c(Br)s1 227947231 YSVOTSBBIZUAOW-UHFFFAOYSA-N 453.649 4.644 50 10 JJGE Cn1nccc1CCC(CBr)(CBr)c1ccc(Br)cc1 230928093 ZOBBSTYSFIFXPH-UHFFFAOYSA-N 465.027 4.843 50 10 JJGE Cc1ccc([C@H](C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)cc1 252585149 GNGQBZACCXGVBZ-XHQPMCCKSA-N 499.051 4.884 50 10 JJGE COc1cc(C=NNC(=O)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)/C=C\c1ccccc1 254790312 BTTIFXLVLKNGFL-WXIAOMMYSA-N 493.519 4.556 50 10 JJGE CCCN(CCC(=O)OCC)C(=O)Nc1ccc(C(=O)Nc2ccc(SC#N)cc2)cc1 586668479 OUWMBARPQAFQOA-UHFFFAOYSA-N 454.552 4.709 50 10 JJGE CCOc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc(Br)c1O 1772756018 JMSMXUCPMGDUKN-CQSZACIVSA-N 463.372 4.769 50 10 JJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)c1 1865692465 MHHRSNNDLGVNNT-SFHVURJKSA-N 490.869 4.839 50 10 JJGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865695689 GMBRSRYHTMYCNG-HXUWFJFHSA-N 495.377 4.901 50 10 JJGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865698573 XVKXMRWHWQBJNX-QFIPXVFZSA-N 462.937 4.527 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)ccc1O 1865705968 KUZPWACSCNCGEJ-KRWDZBQOSA-N 476.842 4.536 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4ccccc4C3=O)n2)c(C)c1C 1872753955 VZWHPUORBYKUNG-VZCXRCSSSA-N 459.527 4.915 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)Cc1cc(Cl)cc(Br)c1 1884188333 YSKQFQTWMOSECN-LBPRGKRZSA-N 457.549 4.705 50 10 JJGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)cs1 1915086379 HTYIZPOLCJESIY-LBPRGKRZSA-N 467.248 4.875 50 10 JJGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1c(F)cccc1Br 1916383623 MRRTXGFUCZRRLS-AWEZNQCLSA-N 459.153 4.641 50 10 JJGE O=C(c1csc(Br)c1Br)N1CCC[C@@H](CCBr)C1 2032954031 UYTBFPJSUBPECA-QMMMGPOBSA-N 460.029 4.910 50 10 JJGE CSCC[C@H](Br)CCNC(=O)c1csc(Br)c1Br 2032958786 MFQWOVVLZJDQFB-SSDOTTSWSA-N 480.085 4.910 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1c(Cl)cccc1Br 2061268543 VLHHIHSUOCBOTJ-UHFFFAOYSA-N 469.854 4.738 50 10 JJGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1[C@@H]2CCOC[C@H]21 2093708467 AGJHQRRQOJEPJQ-IJLUTSLNSA-N 454.984 4.768 50 10 JJGE C[C@H](NC(=O)c1cccc(Br)c1Br)[C@@H]1CCC[C@H]1Br 2111554367 HDUODZPFDCINIR-ATZCPNFKSA-N 454.000 4.894 50 10 JJGE CC1(C)CN(S(=O)(=O)c2ccc(Cl)c(CBr)c2)CCN1Cc1ccccc1 2179795255 PSQKUHMXNOWWND-UHFFFAOYSA-N 471.848 4.520 50 10 JJGE CN([C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21)S(=O)(=O)c1ccc(CBr)s1 2190545674 BIQMZKSWVFXDIN-QFHJOOASSA-N 470.454 4.647 50 10 JJGE CCC[C@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@H]1CCl 2205694710 BNBYBVVFCADCQW-WDEREUQCSA-N 470.576 4.781 50 10 JJGE O=S(=O)(c1cc(Cl)c(Br)s1)N1[C@H](CBr)CCC12CCC2 2205756551 DVYCMOYILRFDSV-QMMMGPOBSA-N 463.644 4.635 50 10 JJGE Cc1cc(C(=O)N2CCCC(C)(C)[C@@H]2CBr)ccc1I 2207097271 PGUMDONHHOQFKF-AWEZNQCLSA-N 450.158 4.625 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCCCC12CN(C(=O)OC(C)(C)C)C2 2215765500 RQWHIJRBASEHET-QGZVFWFLSA-N 475.721 4.662 50 10 JJGE COc1cc(Br)c([C@@H](Br)c2c(Br)cnn2C)cc1C 2227734172 YGYXTSDXUAHUTQ-GFCCVEGCSA-N 452.972 4.746 50 10 JJGE CC1(C)C[C@@H](Br)CN1Cc1ccc(I)c(Br)c1 2306223971 LMBOYMBOJKXJCV-SNVBAGLBSA-N 472.990 4.802 50 10 JJGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593999 XIDPVJMLZAQYRO-DEOSSOPVSA-N 487.581 4.729 50 10 JJGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc(C(C)C)c(C)c1 2314737674 JFYBXDRLFQXJCB-UHFFFAOYSA-N 450.535 4.543 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1OC 2331242461 FBRICTSODBEZEF-SFHVURJKSA-N 461.543 4.669 50 10 JJGE Clc1ccc(I)c(CN(CCCBr)C2CCOCC2)c1 2381154807 RYTCCVXOVBPLQT-UHFFFAOYSA-N 472.592 4.711 50 10 JJGE CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1Br 14645710 HPTUSRAIMNRCPJ-UHFFFAOYSA-N 484.188 4.711 50 10 JJGE CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2ccccc2Br)c1C 24001449 DWIMXZOFKYDEDF-YAJBTMAUSA-N 458.356 4.755 50 10 JJGE O=C(Cc1cccc(F)c1)NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 26687169 MQAKVVDIMPNGTO-UHFFFAOYSA-N 451.548 4.731 50 10 JJGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OC)cc1OC 38657193 WDNWBAKLURJONC-VWLOTQADSA-N 472.497 4.540 50 10 JJGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)cc1 38678557 TYYAQLSSZMHYES-DEOSSOPVSA-N 491.341 4.960 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2cccc(C)c2)c(OC)c1 40989882 OKNNNXVHAZLONS-LTGZKZEYSA-N 450.535 4.592 50 10 JJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)cc2)cc1 206626378 QWUAZJCEVGUETR-FMQZQXMHSA-N 486.528 4.619 50 10 JJGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 254396786 FXZAXUIIDDUUGF-UHFFFAOYSA-N 471.586 4.884 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=C/C=C\c3ccccc3)n2-c2ccc(OC)cc2)cc1 254532664 ZSUQEQLSMHTRAA-ILQNFELRSA-N 499.596 4.859 50 10 JJGE C[C@@H](Br)C[C@@H]1CCCCCN1C(=O)c1cccc(I)c1 312949059 KFHCOUQCLTUISG-DOMZBBRYSA-N 450.158 4.850 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(Cl)cc2O)[C@@H](CI)C1 382675639 PGJFQEYZVIOUPH-YOEHRIQHSA-N 471.722 4.833 50 10 JJGE FC(F)(F)c1cnc(N(CCBr)C2CCCC2)c(I)c1 686109583 LEIKTJFNRMYXFO-UHFFFAOYSA-N 463.079 4.849 50 10 JJGE CC1(C)C[C@@H](Br)C[C@H](NS(=O)(=O)c2cc(Cl)c(Br)s2)C1 693842766 WRJWXTIBYKADHR-YUMQZZPRSA-N 465.660 4.785 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CCCC[C@@H](CBr)C1 696787412 WKFRQBCXGJISAU-JTQLQIEISA-N 454.000 4.849 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2C[C@H]2C(C)(C)C)CC1 705828855 SECPOPWUKNGGIS-HUUCEWRRSA-N 451.389 4.890 50 10 JJGE CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)Cc3cccc(C(F)(F)F)c3)c2C)cc1 1083944138 PXNHNXGEUJLOJG-UHFFFAOYSA-N 471.479 4.982 50 10 JJGE O=C(CN1CCOCC1)NN=Cc1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1 1084023283 XJKQVYVDYFOIAA-UHFFFAOYSA-N 472.372 4.508 50 10 JJGE COCc1cc(C)nc(OCC(=O)NN=Cc2ccccc2OCc2cccc3ccccc23)c1C#N 1084331585 KQWYKSDALRMMMZ-UHFFFAOYSA-N 494.551 4.669 50 10 JJGE Cc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3cccc(Br)c3)c2C)cc1C 1084582705 SRAZKRPYUUQJBF-UHFFFAOYSA-N 467.367 4.562 50 10 JJGE CC(=O)N1CC[C@H](NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)c2ccccc21 1127177911 VCDLZEHUQIZWKT-ZDQFFALBSA-N 452.558 4.924 50 10 JJGE C/C(=C/C(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1)c1ccccc1Cl 1442533754 OOYOBRFRXKPMFL-LXGMGKJTSA-N 459.977 4.518 50 10 JJGE CCOC(=O)c1c(NC(=O)NN=Cc2cc(Br)ccc2O)sc2c1CC[C@@H](C)C2 1772753085 JXDSTUGNICLDCL-LLVKDONJSA-N 480.384 4.673 50 10 JJGE CCCCc1ccc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858681394 CPOHWXVBMHKDIQ-UHFFFAOYSA-N 464.478 4.961 50 10 JJGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(OC)cc1 1865691369 QECMTRKYBUYDAR-LJQANCHMSA-N 468.435 4.683 50 10 JJGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1cccc2ccccc12 1865693230 MKZFNVJMCIKBAT-DEOSSOPVSA-N 452.514 4.959 50 10 JJGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)c1O 1865697309 ZGSRMUXTXXEDQM-GOSISDBHSA-N 487.741 4.529 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccccn2)C(C#N)=C(N)O3)cc1 1865700330 PZXUERZRTSHVDO-JOCHJYFZSA-N 469.932 4.874 50 10 JJGE COc1ccc(-c2ccc(C(=O)NNC(=O)/C=C/c3ccc(C(C)C)cc3)c(C)n2)cc1OC 1865758343 WAPDWVYMECYHNE-OVCLIPMQSA-N 459.546 4.672 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C 1873498389 IRMPIRMPJJLURU-CVKSISIWSA-N 455.474 4.528 50 10 JJGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1Br 1914657154 YTCMGXUIMKSAPW-GFCCVEGCSA-N 465.182 4.563 50 10 JJGE O=C(N[C@@H](CCl)CC1CCCC1)c1cc(I)ccc1Br 1926734880 GPXCUFBINDFXOX-GFCCVEGCSA-N 470.576 4.971 50 10 JJGE C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1NCCSSCCNC(=O)OC(C)(C)C 1988840351 OYFQHHXWOUUBKF-IRXDYDNUSA-N 463.710 4.518 50 10 JJGE CC(C)(C)OC(=O)Nc1cc(C(=O)NC[C@H]2C[C@@H](Br)C2)ccc1Br 2020190216 GTZXTAJIDCOFAS-KLPPZKSPSA-N 462.182 4.699 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@@H](Br)[C@H](C2CC2)C1 2030223892 WVKXJYQNDFERLJ-DTWKUNHWSA-N 458.013 4.519 50 10 JJGE CC(C)(C)[C@@H](CBr)CNC(=O)c1cc(Cl)ccc1I 2090199297 OEPDRVXEXOIFBG-VIFPVBQESA-N 458.565 4.732 50 10 JJGE C[C@@H]1CCN(C(=O)c2cccc(Br)c2Br)C[C@H]1CBr 2092332931 LKTMEIXDZTWRIP-NXEZZACHSA-N 454.000 4.705 50 10 JJGE CC1(C)C[C@@H](Br)CCN1C(=O)c1c(Br)cccc1Br 2113593931 PCDDEYLPXBTSFC-VIFPVBQESA-N 454.000 4.990 50 10 JJGE C[C@@H]1C[C@@H](CBr)CCN1C(=O)c1ccc(Br)cc1Br 2115844445 RSMXGIMJKPJSOC-ZJUUUORDSA-N 454.000 4.847 50 10 JJGE O=C(N[C@H]1CC[C@H](CBr)CC1)c1cc(Br)ccc1Br 2118467231 FRBHEYIQTWCABC-HOMQSWHASA-N 454.000 4.895 50 10 JJGE CC1(C)CCC[C@]1(CCl)NC(=O)c1cc(I)ccc1Br 2150543202 RFSBUYMXYYPKFQ-OAHLLOKOSA-N 470.576 4.971 50 10 JJGE CC(C)C(=O)[C@@H](Br)Cc1ccc(Br)cc1I 2212600097 AIJQTFRWZHFJJV-JTQLQIEISA-N 459.947 4.585 50 10 JJGE CCC[C@H](CCBr)CNC(=O)c1ccc(Cl)c(I)c1 2268349976 RKKCYKXXCPYQTI-SNVBAGLBSA-N 458.565 4.876 50 10 JJGE O=C(NC[C@H]1CCC[C@@H](Br)C1)c1ccc(Cl)c(I)c1 2268349992 ROQRQTSRXKGOJN-GXSJLCMTSA-N 456.549 4.628 50 10 JJGE Oc1nc2cc([C@H](Br)c3cc(Br)co3)c(Br)cc2[nH]1 2270461644 SWVOJLMQTNBORF-NSHDSACASA-N 450.912 4.871 50 10 JJGE CC(C=Cc1ccccc1)=NNC(=O)CSc1nnc(-c2ccc(Br)cc2)n1C 2296056471 QRSJCTRRAVNSIW-UHFFFAOYSA-N 470.396 4.542 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@@H]2CC[C@H]1C[C@@H]2NC(=O)OC(C)(C)C 2298475697 QEZNCDTZSOBAAF-FJIDUMEYSA-N 475.721 4.564 50 10 JJGE Cc1ccc(Br)cc1C(=O)N[C@H](CCBr)COCc1ccccc1 2303544495 DSVQKNYDHKZAIK-QGZVFWFLSA-N 455.190 4.858 50 10 JJGE FC1(F)C[C@H](CBr)N(Cc2ccc(Cl)c(I)c2)C1 2315552722 IBOGYFPYQNRFPE-SECBINFHSA-N 450.492 4.549 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(F)cc2)sc(C(=O)OCC(C)C)c1C 2329639383 LOWFFOXLWLAYES-UHFFFAOYSA-N 458.511 4.731 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@@](C)(=O)=NC[C@](C)(CBr)C(C)(C)C)C1 2352081082 MUWNEGPZZXYFBY-YWKQMNLRSA-N 453.487 4.835 50 10 JJGE CC1(C)CC(CBr)(CN=[S@@]2(=O)CC[C@]3(CCCN3C(=O)OC(C)(C)C)C2)C1 2371132326 ZJYLSTMQNPOPAB-NFQMXDRXSA-N 463.482 4.829 50 10 JJGE Cc1ccc(C(O)(C(=O)NN(C(=O)/C=C\c2ccco2)c2ccccc2)c2ccc(C)cc2)cc1 27472312 DUWDFWUDWXEHFQ-HNENSFHCSA-N 466.537 4.910 50 10 JJGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OC 31902098 PWZXYIJVINOWHC-UNOMPAQXSA-N 460.442 4.904 50 10 JJGE Cc1ccc2nc(C(F)(F)F)cc(N3CCN(/C=C(\C#N)S(=O)(=O)c4ccccc4)CC3)c2c1 38194775 SKIOEVQYQOYJBU-KNTRCKAVSA-N 486.519 4.523 50 10 JJGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2C)CCC3)c(OC)c1 40811511 XJEJGQITOUENPE-VFCFBJKWSA-N 461.518 4.636 50 10 JJGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1 40864793 RAIXTCMHASXUDQ-HMMYKYKNSA-N 494.573 4.817 50 10 JJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C(C)C)c(C)c2)c(OCC)c1 40867327 HSMIZTBGGXTZLF-DEDYPNTBSA-N 451.519 4.972 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(Cl)cc1C 40870086 LUHCIMWFNXTDDA-FYJGNVAPSA-N 490.943 4.865 50 10 JJGE O=S(=O)(NC[C@H]1CCC[C@H]1Br)c1c(Cl)cc(Br)cc1Cl 136556489 TWMUSNNCQBGBOI-VXNVDRBHSA-N 466.022 4.598 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N2CCCCC[C@H]2CCl)cc1Br 157769471 QJJWUHZRGCDUQV-NSHDSACASA-N 459.631 4.692 50 10 JJGE CCN(Cc1ccccc1)c1ccc(/C=N\NC(=O)CSc2nc3ccccc3n2C)cc1 169876258 BKMNNHUCCSGRHM-PKAZHMFMSA-N 457.603 4.842 50 10 JJGE C[C@H](Br)[C@](Br)(CBr)C(=O)Oc1ccc(Br)cc1 205782640 XHWPRPYWUQDXEP-WRWORJQWSA-N 493.815 4.667 50 10 JJGE O=C(NC[C@H](Br)c1ccccc1)c1cc(Cl)ccc1I 236065870 PJTHCMKPBRURBY-ZDUSSCGKSA-N 464.528 4.811 50 10 JJGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C(C)/C=C\c2ccccc2)cc1OC 254816385 MPPFEAPKGKNHLG-ORNQLXEWSA-N 469.541 4.680 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](c2cccc(Br)c2)[C@@H](CI)C1 382681431 CVNNEYXDGKIBKN-GXTWGEPZSA-N 466.157 4.835 50 10 JJGE C[C@H]1C[C@@H](CBr)CN(C(=O)c2cc(Br)ccc2Br)C1 398780962 IAIQLUISRYWVMS-UWVGGRQHSA-N 454.000 4.705 50 10 JJGE C[C@]1(CBr)CCCN(C(=O)c2cc(Br)sc2Br)C1 688844732 WTZBWRFHZKXOTK-GFCCVEGCSA-N 460.029 4.910 50 10 JJGE Cn1ncc([C@H](Br)c2cc(Br)c3c(c2)CCCO3)c1Br 709737568 JKOYAMXSGPZNOD-GFCCVEGCSA-N 464.983 4.754 50 10 JJGE O=C(N[C@@H](CCCl)C1CCCC1)c1cc(I)ccc1Br 725044917 RYXHGWOCDFFAFS-AWEZNQCLSA-N 470.576 4.971 50 10 JJGE CCOc1cccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1O 725426571 RDFWYNJXNSKTMU-SJLPKXTDSA-N 481.330 4.578 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)OCc2noc(-c3ccc(Cl)cc3)n2)c(-c2ccccc2)n1 914597691 CPZWCEHJEUVHAP-UYRXBGFRSA-N 484.903 4.818 50 10 JJGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 1083944082 WNPYCJAJSGPONI-UHFFFAOYSA-N 473.360 4.888 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 1084102534 SUMWBGLGOUWAQD-NRFANRHFSA-N 471.897 4.871 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)[C@@H](C)SCc2ccccc2)cc1 1084596567 CJIGXSXSJILWOA-LJQANCHMSA-N 468.600 4.535 50 10 JJGE C[C@H](COc1ccccc1F)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 1321947236 AVQXUIJBWYKPKE-MCRQTXEHSA-N 477.927 4.747 50 10 JJGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865701005 JNNCRQCOOSRPJP-HXUWFJFHSA-N 468.916 4.522 50 10 JJGE CN(CC1CC(Br)C1)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1890631388 RJTWNZMAKJYWIA-UHFFFAOYSA-N 483.406 4.690 50 10 JJGE Cc1scc(C(=O)N[C@@H](CCBr)COCc2ccccc2)c1Br 1902876487 QVMXNRGWWXGGME-AWEZNQCLSA-N 461.219 4.919 50 10 JJGE O=C(N[C@@H](CCBr)C(F)(F)F)c1cc(Br)ccc1Br 1918554550 UHPHSCAZSQDIQW-VIFPVBQESA-N 467.905 4.657 50 10 JJGE CC1(NC(=O)c2cc(Br)ccc2I)CCC(Cl)CC1 1924695102 RYZGIXCTPMNCTI-UHFFFAOYSA-N 456.549 4.724 50 10 JJGE O=C1Cc2cc([C@H](Br)c3csnc3Br)c(Br)cc2N1 1925251487 WMCAORQYVWDVDH-NSHDSACASA-N 466.980 4.647 50 10 JJGE Cc1csc(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)c1Br 1939883985 RWADWAFKCDJPKZ-CQSZACIVSA-N 461.219 4.871 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 1991376890 SMOAYRMIQBAGAV-HZPDHXFCSA-N 463.710 4.516 50 10 JJGE BrCC[C@@H]1CN(Cc2ccc(Br)cc2Br)CCS1 2031426554 WRUUTOISOFIECX-GFCCVEGCSA-N 458.057 4.914 50 10 JJGE O=C(N[C@H]1CCC[C@H]1CCBr)c1cc(Br)cc(Br)c1 2090571062 GEUPHYGDMOWDDO-ZANVPECISA-N 454.000 4.895 50 10 JJGE O=C(N[C@H]1CCC[C@@H](CBr)C1)c1c(Br)cccc1Br 2094089343 VVRYGAPGCIZGCW-ZJUUUORDSA-N 454.000 4.895 50 10 JJGE C[C@@]1(CCCl)CCN(C(=O)c2ccc(Br)cc2I)C1 2142280031 XZKPBNMNDMOFHD-CQSZACIVSA-N 456.549 4.535 50 10 JJGE Cn1nnc(Br)c1CC(CBr)(CBr)c1cccc(Cl)c1 2145947221 LZXPELYDOBLUCF-UHFFFAOYSA-N 486.433 4.501 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H](CCl)[C@@H](C(F)(F)F)C1 2163352739 HYTULJUHFWMQBT-WDSKDSINSA-N 455.521 4.762 50 10 JJGE C[C@@H](CCCCCBr)NS(=O)(=O)c1cc(Br)ccc1Br 2174530499 RNAXCWARGBHNKB-JTQLQIEISA-N 492.071 4.834 50 10 JJGE CN([C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21)S(=O)(=O)c1ccsc1CBr 2190549037 WMDNJCSIIWLDRW-XWTMOSNGSA-N 470.454 4.647 50 10 JJGE Cc1ccc(I)c(C(=O)NC2(CCBr)CCCCC2)c1 2240921821 LLFOYKCTUAARMR-UHFFFAOYSA-N 450.158 4.817 50 10 JJGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccccc2C)cc1 2314532580 LPXZCISHWGCMGK-UHFFFAOYSA-N 450.498 4.958 50 10 JJGE COc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1 2359632 FOGQBTGQZCLNTI-QPQMVVSWSA-N 455.539 4.760 50 10 JJGE CN1/C(=C(/C#N)C(=O)c2ccc(C(=O)/C(C#N)=C3\Nc4ccccc4N3C)s2)Nc2ccccc21 11852371 ABUCDAXTDNYZBJ-WFOJNGAISA-N 478.537 4.708 50 10 JJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)/C=C/c1cccc2ccccc12 12503499 VPQAYNOROBHOLW-TZIYXEQSSA-N 488.396 4.649 50 10 JJGE Cc1ccccc1O[C@@H](C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 13994229 GIYUAHKBLHMJHJ-IBGZPJMESA-N 473.573 4.773 50 10 JJGE CC[C@@H](Oc1ccccc1)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14024542 JGNYXEBKBKLWEK-XMMPIXPASA-N 473.573 4.855 50 10 JJGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 14036276 NWUPYEUXYHFYIN-UHFFFAOYSA-N 491.613 4.784 50 10 JJGE CC(C)c1ccc(O[C@H](C)C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 14040234 HEXDWFKWKPIOLF-OAHLLOKOSA-N 453.366 4.891 50 10 JJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)cc1 14040235 SZFCIYZFRWMLOE-LJQANCHMSA-N 459.546 4.599 50 10 JJGE Cc1cccc(C)c1OCC(=O)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 14665507 JEPANIFIUAOMFU-UHFFFAOYSA-N 497.389 4.527 50 10 JJGE COc1ccccc1/C=N/NC(=O)c1ccc2c(c1)CN(c1ccc(Br)cc1)C2 33347742 LKSGZOUPABCGDB-DHRITJCHSA-N 450.336 4.742 50 10 JJGE Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccccc2)ccc1Cl 35393510 QXEWGWQOQJAJDV-RGEXLXHISA-N 477.929 4.787 50 10 JJGE O=C(NN/C=C1/C(=O)N(c2cccc(Cl)c2)C(=O)c2ccccc21)c1cccc(Br)c1 38166184 KDPGWTFYRBXELO-DEDYPNTBSA-N 496.748 4.565 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 38654231 OKBBXJOVLAYQQL-QHCPKHFHSA-N 461.861 4.614 50 10 JJGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1ccc(Cl)c(Cl)c1 40704219 BATYGDOMPJYKNS-UHFFFAOYSA-N 488.162 4.938 50 10 JJGE CC1(C)CN(C(=O)c2cc(Br)sc2Br)CC[C@H]1Br 306080424 IANSYPDCKJBMGW-MRVPVSSYSA-N 460.029 4.909 50 10 JJGE CC[C@H](Br)[C@@H](CC)NC(=O)c1cc(Br)ccc1I 313088569 RBXHKAJRQKVJNO-CMPLNLGQSA-N 488.989 4.736 50 10 JJGE C[C@@H]1CCCN(C(=O)c2cc(I)ccc2Br)[C@@H]1CCl 688668594 VCXNEDKCCQHWCG-NOZJJQNGSA-N 456.549 4.533 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CCSC[C@H]1CCBr 689217134 GAKTXTGPCWMODA-SSDOTTSWSA-N 478.069 4.616 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H]2CC[C@H](Cl)[C@H]1C2 721563100 VCHIJEDXBXCNER-LJWDBELGSA-N 468.560 4.676 50 10 JJGE CCCCCC(=O)NC1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3F)c2C)CC1 748190860 HHXPRZOSXINPKX-OQKWZONESA-N 464.585 4.828 50 10 JJGE C=CCN1C2=C(S/C1=C(/C#N)S(=O)(=O)c1ccc(C)cc1)[C@@H]1c3ccccc3OC[C@H]1CO2 1084184229 RGBXOJITBIQJFB-YYGXOPTASA-N 478.595 4.688 50 10 JJGE CC(=O)N1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc4ccccc34)c2C)C(C)(C)C1 1527089227 PTRBEWZSOIPKCE-JLPGSUDCSA-N 454.574 4.624 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cc(F)ccc2[N+](=O)[O-])C1 1614694066 HNISCQZJXMBSMI-WMLDXEAASA-N 484.265 4.521 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2cc([N+](=O)[O-])ccc2Cl)[C@@H](CBr)C1 1614702771 VPALDCFXUDDOSD-YOEHRIQHSA-N 453.720 4.995 50 10 JJGE COc1ccc(CC(=O)Oc2ccc(/C=C(\C#N)c3ccccc3OC)cc2OC)cc1OC 1615066150 WHGNAJZVZOIRFT-DEDYPNTBSA-N 459.498 4.933 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1OC 1865694991 HGNZYXKVIISVFJ-LJQANCHMSA-N 488.441 4.715 50 10 JJGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696656 PPEPMCBRMAYLAL-FQEVSTJZSA-N 465.351 4.570 50 10 JJGE CCNCc1cc(Br)c(OC[C@H]2C[C@H](Br)C2)c(Br)c1 1887832383 DQMXTTBPQCEWHF-XYPYZODXSA-N 456.016 4.873 50 10 JJGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)CC1(CBr)CCCCC1 1977962928 NCIQPWPDWMGSLU-UHFFFAOYSA-N 492.499 4.683 50 10 JJGE CCOC(=O)C12CCC(CI)(CC1)O[C@H]2c1cccc(OC(F)(F)F)c1 2080418934 JKLYYUTYZIHZNI-OOHWJJMZSA-N 484.252 4.954 50 10 JJGE O=C(c1scc(Br)c1Br)N1CCC([C@@H](F)CBr)CC1 2106952393 LMLWDSCTYMAGGE-VIFPVBQESA-N 478.019 4.858 50 10 JJGE CC(F)(F)C[C@H](CBr)NC(=O)c1cc(Br)ccc1Br 2113236974 ZNARUPGVWXLING-MRVPVSSYSA-N 463.942 4.750 50 10 JJGE F[C@@H]1CCO[C@H]1CC(CBr)(CBr)c1cccc(Br)c1 2122535259 WAPYMHGBPCNAFY-OLZOCXBDSA-N 458.991 4.994 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@@H](CBr)C12CC2 2133819231 FOVIXNRDFZZJCW-VIFPVBQESA-N 451.984 4.601 50 10 JJGE Cl[C@@H]1CC[C@H]2CCN(c3ncc(I)cc3Br)C[C@H]2C1 2139262913 SMGANZZAFZQLKZ-HBNTYKKESA-N 455.565 4.683 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CCC[C@@H](CCCl)CC1 2149737858 KFZCFZSRRMWSRO-NSHDSACASA-N 470.576 4.925 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2CCC[C@@]2(CBr)C1 2159409067 PBDPVSTZYBIKSB-MEBBXXQBSA-N 466.011 4.849 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1[C@H](CBr)C[C@H]2CCC[C@@H]21 2164654508 AKZRNEAOQIJYMY-PUYPPJJSSA-N 468.560 4.723 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CC2(CCl)CCC1CC2 2178885659 FPXBUQLRNWBWMW-UHFFFAOYSA-N 468.560 4.677 50 10 JJGE O=C(N[C@@H](CCl)[C@H]1CC=CCC1)c1ccc(Br)cc1I 2207264617 HNWLKQPRAZZMNE-HZMBPMFUSA-N 468.560 4.747 50 10 JJGE CC(C)(C)OC(=O)N1CC(N(CC2(CBr)CC(F)C2)OCc2ccccc2)C1 2241369673 BCKRGHNOTBNKQD-UHFFFAOYSA-N 457.384 4.553 50 10 JJGE COC1(COc2c(Br)cc(Br)cc2CBr)CCOCC1 2280286790 ZCGAJLPVKVBGCZ-UHFFFAOYSA-N 472.999 4.681 50 10 JJGE O=S1(=O)CCCC[C@@H]1[C@H](Cl)c1c(F)cc(Br)c(F)c1Br 2288353095 JVMWIWKRSOIJGU-KCJUWKMLSA-N 452.542 4.737 50 10 JJGE CC[C@H]1[C@@H](Br)CCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2288882827 JFEXIOAPCZNMMV-KWQFWETISA-N 466.022 4.692 50 10 JJGE CCCn1c(C)cc(C=C(C#N)C(=O)OCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1C 2297356591 FRNFHYAUAOLLSC-UHFFFAOYSA-N 463.534 4.645 50 10 JJGE N#CC(=Cc1cc(Br)c(O)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl 2313570794 GMERWSSKZCKSAV-UHFFFAOYSA-N 457.067 4.915 50 10 JJGE C[C@H]1[C@H](C)N(C(=O)c2cc(Br)ccc2I)CC[C@H]1Cl 2344510889 WEDKLECHRBIDNA-HOTUBEGUSA-N 456.549 4.532 50 10 JJGE CCC[C@@H]1CN(C(=O)c2ccc(Cl)cc2I)C[C@H]1CBr 2365586105 IKKCZWAOPJCQJY-GHMZBOCLSA-N 470.576 4.828 50 10 JJGE O=C(N/N=C1\C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21)c1ccc(F)cc1 27572852 AUKUTMINUDEGCC-BLCKFSMSSA-N 492.554 4.966 50 10 JJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 34780386 CVMNPWFHPLDPFT-CYVLTUHYSA-N 485.452 4.536 50 10 JJGE CN(C)c1ccc(NC(=O)CCCCl)cc1CN(C[C@@H]1CCCO1)C(=O)CC(C)(C)C 34921687 LSXCNRKEEUHDIH-FQEVSTJZSA-N 452.039 4.654 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(C)cc1C 40870082 SQXAJOLCPBSCME-OEAKJJBVSA-N 470.525 4.520 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cc(C)c(Cl)c(C)c2)c(OC)c1 40987321 YPJZHOJOJKGIJI-XDHOZWIPSA-N 470.953 4.773 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2sccc2C(=O)OC)cc(Br)c1OCC 96438562 QTYASKZCKVVZGX-JYRVWZFOSA-N 479.352 4.640 50 10 JJGE Cn1nccc1CCC(CBr)(CBr)c1cccc(Br)c1 230928110 KJSDJPVEUGTVSV-UHFFFAOYSA-N 465.027 4.843 50 10 JJGE CN(C(=O)c1cc(Br)cc(Br)c1)[C@H]1CCCC[C@@H]1Br 234329175 NVPQVKFSQNQZOV-STQMWFEESA-N 454.000 4.990 50 10 JJGE COCCOCCCC(CBr)(CBr)c1cccc(Br)c1 234749754 RGUPPRUMEANSOK-UHFFFAOYSA-N 473.043 4.920 50 10 JJGE O=C(CSc1nnc(SCc2ccccc2)s1)NN=C/C=C/c1ccccc1[N+](=O)[O-] 254306580 AHHUWLPSBWROLM-GSXYRKOKSA-N 471.589 4.646 50 10 JJGE ClCc1nc2cc(I)ccc2n1[C@H]1CCN(Cc2ccccc2)C1 310350642 GRLSDFQGFGVWQP-INIZCTEOSA-N 451.739 4.827 50 10 JJGE C[C@H]1CC[C@@H](CBr)CN1C(=O)c1scc(Br)c1Br 688665570 KDIUEUCIVWOSKH-YUMQZZPRSA-N 460.029 4.909 50 10 JJGE CO[C@]1(CC(CBr)(CBr)c2ccccc2Br)CCOC1 692461820 KCMRXYLTJULQFD-HNNXBMFYSA-N 471.027 4.672 50 10 JJGE C[C@H]1CCCN(C(=O)c2cc(Br)ccc2I)[C@H]1CCCl 700358366 HRKKODNXPFBSCC-HZMBPMFUSA-N 470.576 4.923 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2C[C@H](Br)C[C@H]1C2 709822235 KFMLVIDPZYUFIX-INTQDDNPSA-N 451.984 4.600 50 10 JJGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c1C 1084017517 LAJFAEOZLAJCCV-UHFFFAOYSA-N 456.468 4.819 50 10 JJGE COc1ccc(OC)c(C=NNC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)c1Br 1084038138 DENWLOXGYJZKQS-HZMBPMFUSA-N 450.160 4.508 50 10 JJGE O=C(COc1ccccc1)NN=Cc1ccc(Sc2cccc3cccnc23)c([N+](=O)[O-])c1 1084319441 UNUGBEFYECEBLX-UHFFFAOYSA-N 458.499 4.823 50 10 JJGE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1 1639383709 FESZLONSFXOWME-NRFANRHFSA-N 452.555 4.756 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)ccc1O 1865681801 XFQFVRXXRDZKNO-SFHVURJKSA-N 490.869 4.926 50 10 JJGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865699650 ZDYYLYRCGFJIKQ-NRFANRHFSA-N 457.921 4.758 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1OC 1865707344 UXKNNPSGTHEMQZ-GOSISDBHSA-N 490.869 4.839 50 10 JJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865708220 QYBCRSKSNYRVPB-FQEVSTJZSA-N 471.344 4.977 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCC(C)(C)N(C(=O)OC(C)(C)C)C1 1985347159 OFHOZKKTYPNTAB-INIZCTEOSA-N 463.710 4.660 50 10 JJGE CC(C)(C)OC(=O)Nc1cc(C(=O)NCC2CC(Br)C2)ccc1Br 2020168530 GTZXTAJIDCOFAS-UHFFFAOYSA-N 462.182 4.699 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@@H](Br)[C@H](C2CC2)C1 2032954139 XNPSHZJTDDVSFQ-IONNQARKSA-N 458.013 4.519 50 10 JJGE ClCCCc1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2034338267 DZMRIFMVHMINKE-UHFFFAOYSA-N 458.379 4.726 50 10 JJGE C[C@@H](Br)C(C)(C)CNC(=O)c1ccc(Br)cc1I 2086147275 LKKZCHKWBMXFSC-MRVPVSSYSA-N 488.989 4.593 50 10 JJGE CC[C@@H](Br)CCCNC(=O)c1ccc(Br)cc1I 2086150641 DGLNQDXZBBWMSY-SECBINFHSA-N 488.989 4.737 50 10 JJGE C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(CCl)sc2Br)CN1Cc1ccccc1 2098610211 XOOCNRNOKSMGIM-ZFWWWQNUSA-N 477.877 4.533 50 10 JJGE BrC[C@H]1CN(c2ncc(Br)cc2Br)CC12CCCC2 2118590678 OTEVLDIANRUVDF-JTQLQIEISA-N 453.016 4.998 50 10 JJGE BrCc1cc(Br)ccc1N1CC[C@H]2COC[C@@H](C1)N2Cc1ccccc1 2139653467 WMOQCDYWPMXCJH-VQTJNVASSA-N 480.244 4.824 50 10 JJGE O=C(NC[C@@H]1CCC[C@H](Cl)C1)c1ccc(Br)cc1I 2142284560 DVAHBUFSVVFRJD-KOLCDFICSA-N 456.549 4.581 50 10 JJGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@H]1CC(Br)C2 2142285902 WITPOUBRTYOZLU-QWRGUYRKSA-N 498.984 4.584 50 10 JJGE C[C@@H](Cl)[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2142288474 KUIYFJSZCULTAL-RNCFNFMXSA-N 456.549 4.676 50 10 JJGE Cn1nnc(Br)c1CC(CBr)(CBr)c1ccccc1Cl 2145946103 DDTRTYSAFBRKOC-UHFFFAOYSA-N 486.433 4.501 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2[C@@H](Br)CCC[C@H]2C1 2150957840 HTHKEEHIZLUTHF-FZZIBODNSA-N 466.011 4.847 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@@H]2CCC[C@@]2(CBr)C1 2159409068 PBDPVSTZYBIKSB-ZUZCIYMTSA-N 466.011 4.849 50 10 JJGE ClCc1ccc(Br)c(Cl)c1-n1cnc2c(I)ncnc21 2177724186 PKPXFPFBTZTFMI-UHFFFAOYSA-N 483.922 4.575 50 10 JJGE CC(C)(C)[C@@H]1[C@H](Cl)CCN1C(=O)c1cc(Br)ccc1I 2185114084 NXDFCOXFRFLENW-YPMHNXCESA-N 470.576 4.922 50 10 JJGE Cc1cc(C(=O)NC[C@H]2CC[C@H](CBr)CC2)ccc1I 2207102868 QNZSGVCFNAWTEX-JOCQHMNTSA-N 450.158 4.531 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1CN(CCCCCI)C[C@@H]1c1ccccc1 2227435680 KCWBNSFMOSCEAR-RBUKOAKNSA-N 472.411 4.832 50 10 JJGE CCn1cc(Br)c([C@@H](Cl)c2ccc(OC)c(I)c2)n1 2269555420 WNOAFDYACHLTJO-LBPRGKRZSA-N 455.521 4.607 50 10 JJGE CCOC(=O)C(C#N)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 2293039226 QNLCERLHROCBNL-SFHVURJKSA-N 475.339 4.578 50 10 JJGE CO[C@H]1C[C@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C[C@H]1OC 2295329721 LZUBKMWKTPYOCN-FBUXBERBSA-N 471.027 4.958 50 10 JJGE CC1(C)[C@@]2(C=C[C@@]34CC[C@@](C(=O)O)([C@H]3Br)C4(C)C)CC[C@@]1(C(=O)O)[C@H]2Br 2297579948 DZCAUHVDKAGJQC-FZCFSEBGSA-N 490.232 4.852 50 10 JJGE O=S1(=O)CC[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2299492619 IQDWKOHROZKWHO-KBXCAEBGSA-N 474.214 4.899 50 10 JJGE CC(C)c1ccc(NC(=O)C(C#N)=Cc2cc([N+](=O)[O-])ccc2OCC(=O)Nc2nccs2)cc1 2314486680 AZKWEIUMDSLTPH-UHFFFAOYSA-N 491.529 4.738 50 10 JJGE C[C@H](NC(=O)C(C#N)=CNCCc1cccc(Br)c1)C12CC3CC(CC(C3)C1)C2 2318469257 TXAXVRLDZBUFRO-QNHAZURESA-N 456.428 4.710 50 10 JJGE COc1ccccc1-c1ccc(C(=O)NN=Cc2cc(Cl)cc(Br)c2O)c(C)n1 2321251681 ATDIXHLEPFYPDE-UHFFFAOYSA-N 474.742 4.951 50 10 JJGE CCOC(=O)c1c(C)nn(-c2cccc(F)c2)c1NC(=O)C(C#N)=Cc1ccc(Br)cc1 2329663575 BHPXNLNPYMHTCK-UHFFFAOYSA-N 497.324 4.805 50 10 JJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 13983206 UNLGSAMGETWLAV-MRXNPFEDSA-N 485.378 4.721 50 10 JJGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1cccc3ccccc13)c1nc3ccccc3nc12 35549150 FALMFPARPMLULA-IZLXSDGUSA-N 450.542 4.573 50 10 JJGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)N4CCCc5ccccc54)c(C)c32)c1 40822360 NFPVEDPAWCHGLY-SGWCAAJKSA-N 457.530 4.660 50 10 JJGE CCOC(=O)N/N=C1\CCCc2oc(C(=O)Oc3ccc(Br)c4cccnc34)c(C)c21 40825650 UBKGSCFHUFIIKL-MFKUBSTISA-N 486.322 4.904 50 10 JJGE O=C(CSCc1ccccc1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 59152920 VAXYYPBEVOLFMD-YDZHTSKRSA-N 466.475 4.679 50 10 JJGE CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C(=O)CCl)cc1OC 97914649 LGHCIDQLDBOYHG-VWLOTQADSA-N 491.003 4.991 50 10 JJGE N#C/C(C(=O)NCc1ccccc1)=C1\N=C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 102673649 YUFMDELMNIMHNX-LSDHQDQOSA-N 475.335 4.735 50 10 JJGE COc1cc(/C=N\NC(=O)Cc2ccc(N)cc2)ccc1OCc1c(Cl)cccc1Cl 169900465 IBSQPZHIHZUPNS-WKIKZPBSSA-N 458.345 4.856 50 10 JJGE O=c1[nH]c2ccc([C@H](Br)c3cc(Cl)ccc3I)cc2[nH]1 236084201 NZGVXBMXMOWHKN-ZDUSSCGKSA-N 463.500 4.599 50 10 JJGE O=C(COc1cccc(Cl)c1)NN=Cc1cc(Br)ccc1OC(=O)c1ccccc1 254393947 RXZSKMXISSXNCF-UHFFFAOYSA-N 487.737 4.851 50 10 JJGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1)c1ccccc1 254872169 KSXQGROJYHKPGD-UHFFFAOYSA-N 464.477 4.889 50 10 JJGE O=C1Cc2cc([C@H](Cl)c3csc(I)c3)c(Br)cc2N1 306028042 PFSYLKOXIBVBSA-CYBMUJFWSA-N 468.541 4.938 50 10 JJGE C[C@@H]1C[C@H](CI)[C@H](I)[C@@H](C)N1Cc1ccccc1 307490060 AATRYUVDDFYFQU-QHSBEEBCSA-N 469.148 4.524 50 10 JJGE O=C(NC[C@H]1CCC[C@H]1CBr)c1scc(Br)c1Br 705409664 NOTQRJNDFJIYOO-JGVFFNPUSA-N 460.029 4.814 50 10 JJGE BrCC(CBr)(CCO[C@@H]1CCOC1)c1ccc(Br)cc1 724985076 KKVFOXOKCJZCRT-CQSZACIVSA-N 471.027 4.672 50 10 JJGE C[C@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(=O)N1CCc2ccccc21 782092544 HHIWDTYBGKOOAJ-CQHJRZBDSA-N 499.958 4.545 50 10 JJGE CCOC(=O)c1nc(COC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cs1 918956673 BVHCYIBZZGDOIG-LICLKQGHSA-N 453.495 4.517 50 10 JJGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc(CSC3CCCC3)c2)cc1 1674669139 NRQVWIAQJXDGGE-KRWDZBQOSA-N 455.580 4.685 50 10 JJGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(Br)cc1 1865693276 MQIJGEQAUMVYAM-FQEVSTJZSA-N 481.350 4.569 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)c(OC)c1 1865708364 VHZNIXSZVVTIQO-GOSISDBHSA-N 490.869 4.839 50 10 JJGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCNC(=O)[C@@H]2c2cn(C)c3ccccc23)n1 1868389651 ZBAYODJEDYQLGU-SANMLTNESA-N 497.628 4.915 50 10 JJGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(I)sn1 1909913915 AAJFONCFVWFPIZ-AWEZNQCLSA-N 493.208 4.810 50 10 JJGE COc1cccc(Br)c1C(=O)N(C)C[C@H](Br)COCc1ccccc1 1916332850 LPZYNERYTMFLKN-HNNXBMFYSA-N 471.189 4.510 50 10 JJGE COc1cc(C=C(C#N)c2ccccn2)ccc1OCC(=O)Nc1ccc(Br)cc1 2040444355 HFJSRDKRJBRUGB-UHFFFAOYSA-N 464.319 4.934 50 10 JJGE C[C@H](Br)[C@H](NC(=O)c1cc(Br)sc1Br)C(F)(F)F 2074717214 RHMAUUBBCQKMKW-DZSWIPIPSA-N 473.934 4.717 50 10 JJGE CC1(C)C[C@@H](Br)CCN1C(=O)c1ccc(I)c(Cl)c1 2113587183 UUCUEJQORVDWMK-JTQLQIEISA-N 456.549 4.723 50 10 JJGE ClCCc1nc2cc(I)ccc2n1[C@@H]1CCOC[C@@H]1OCc1ccccc1 2146523976 QPIWIXKLUVBFLV-UXHICEINSA-N 496.776 4.969 50 10 JJGE CO[C@](C)(COCc1ccccc1)Cn1c(CCl)nc2cc(Br)c(C)nc21 2153145088 KYJUGUAJIGAQDX-FQEVSTJZSA-N 452.780 4.863 50 10 JJGE C[C@H]1CC[C@H](CBr)N(c2ncc(C(F)(F)F)cc2I)C1 2166924482 UTIDYJHOCDMHOO-WCBMZHEXSA-N 463.079 4.705 50 10 JJGE Brc1cccc(CN2C[C@@H](Br)C3(CCOCC3)C2)c1Br 2174363198 GNHFZSYDOGUPJD-CYBMUJFWSA-N 468.027 4.588 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@@H](CBr)C12CCC2 2190362264 CAQAJTWMZNWAGD-JTQLQIEISA-N 466.011 4.991 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@@H](CBr)C12CCC2 2190364498 YTADIYRWBXWPEI-JTQLQIEISA-N 466.011 4.991 50 10 JJGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1nn(C)nc1Br 2219798339 LTNGOCIUXDWSED-VIFPVBQESA-N 458.379 4.786 50 10 JJGE BrC[C@@]12CCCO[C@H]1CN(Cc1cc(Br)ccc1Br)C2 2238837863 ZELUIYAHUGXJII-LSDHHAIUSA-N 468.027 4.588 50 10 JJGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1OC(=O)c1ccccc1Cl 2293763523 BOIBQOKDHRIFLP-UHFFFAOYSA-N 476.872 4.812 50 10 JJGE FC(F)(F)CN(CCBr)Cc1ccc(Cl)cc1I 2318540761 QTVVTGIDGQJXSE-UHFFFAOYSA-N 456.471 4.704 50 10 JJGE COc1cc(C=NNC(=O)Cc2ccccc2)ccc1OCc1ccc(Br)cc1 2323327941 LVHGDHAUPLZHMP-UHFFFAOYSA-N 453.336 4.730 50 10 JJGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccccc2F)cc1 2328822732 JJNCZYCSPYFZAN-QFIPXVFZSA-N 457.546 4.794 50 10 JJGE CCOC(=O)c1cnn(-c2cccc(Cl)c2)c1NC(=O)C(C#N)=Cc1cccc(Cl)c1 2329687525 NWHSMGLTXNRSLL-UHFFFAOYSA-N 455.301 4.901 50 10 JJGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)CC1=O 2331259398 YIONDHBQDGKBFJ-QGZVFWFLSA-N 489.553 4.760 50 10 JJGE COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCc3nnc(-c4ccccc4)o3)c2C)cc1 9221842 RMYQGPRXMZSLAR-KGENOOAVSA-N 454.486 4.803 50 10 JJGE Cc1ccc(OCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)c(C)c1 14669636 QCUMBPXMQZVMAZ-UHFFFAOYSA-N 497.389 4.527 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)cc(Cl)c1OCc1cccc(C(=O)O)c1 33633804 AAPGSINQZSLMDD-YBFXNURJSA-N 468.937 4.982 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)c1 38650204 UDMSUGNNLNTNDA-VWLOTQADSA-N 476.916 4.860 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1 38685970 POAPMRJJNAMRHI-RUZDIDTESA-N 476.916 4.941 50 10 JJGE CC(C)c1ccc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])cc1 40594661 WALJFXNZPXQBNX-UHFFFAOYSA-N 471.315 4.771 50 10 JJGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccncc5)c(C)c43)coc2c1 40826881 JVNKYLDFVDBNSZ-TWKHWXDSSA-N 470.529 4.998 50 10 JJGE O=C(N/N=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1cccc(Br)c1 59159897 LLEWZRNYDUNUMS-LKUDQCMESA-N 468.738 4.783 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OCCOc1c(C)cccc1C 101395539 KRWMDOBZIGIFNM-JCMHNJIXSA-N 460.530 4.976 50 10 JJGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1OC 113854934 RHBNZYAUXPEUBN-OAQYLSRUSA-N 495.377 4.959 50 10 JJGE CCOc1cc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc([N+](=O)[O-])c1OCC 169890112 GCYDCIVHWHPRSD-QFEZKATASA-N 450.495 4.516 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCC)c(OC)c2)c(OC)c1 207108581 KXPZKUKUWBGPQZ-VWDAIKGWSA-N 478.545 4.545 50 10 JJGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 207112534 OYNDVZJEIXRWLD-VEAPLJLUSA-N 452.510 4.502 50 10 JJGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 209901524 PSWMZPAVHAMSFQ-IIMQCXAKSA-N 470.407 4.879 50 10 JJGE C[C@@H]1CCC[C@](CCl)(NC(=O)c2cc(I)ccc2Br)C1 235340572 SGGVRKWYJHCTJR-BMIGLBTASA-N 470.576 4.971 50 10 JJGE CC(=O)Nc1cccc(C(C)=NNC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)c1 254310520 RUGRCDWARVOMEH-UHFFFAOYSA-N 466.497 4.743 50 10 JJGE COc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c(F)c1 382702904 PWFUATKFUSOUHZ-CRAIPNDOSA-N 469.294 4.622 50 10 JJGE Nc1cc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)ccc1Cl 382708350 GCPFDTDKYIMLBX-HOTGVXAUSA-N 470.738 4.709 50 10 JJGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N1CCC(OCc2ccccc2)CC1 383906103 NVFKLZFKTBNVJH-UHFFFAOYSA-N 472.832 4.866 50 10 JJGE CC(C)(C)C[C@@H](CCl)NC(=O)c1cc(Br)ccc1I 393469467 PECBNOARYJYZTC-JTQLQIEISA-N 458.565 4.827 50 10 JJGE O=C(O[C@H](CI)c1cccc(I)c1)c1ccccc1 585667681 QNBDDMZTUIBWKG-CQSZACIVSA-N 478.067 4.624 50 10 JJGE CCCN(CCC(=O)OCC)C(=O)c1cccc(NC(=O)Nc2ccc(SC#N)cc2)c1 586717523 NABXRDYSMXDDAM-UHFFFAOYSA-N 454.552 4.709 50 10 JJGE CN(C[C@H]1CCC[C@H]1Br)C(=O)c1cc(Br)c(Br)s1 689315578 TWMHDTIVRMVDEO-HTQZYQBOSA-N 460.029 4.909 50 10 JJGE C[C@H](Br)[C@H]1CCCCN1C(=O)c1ccc(Br)cc1Br 708463482 XGTHRRIWUZOHIH-TVQRCGJNSA-N 454.000 4.990 50 10 JJGE C[C@@H](CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)N1CCc2ccccc2C1 914507409 FYGUHMFECKJEBR-ORQKMDSUSA-N 499.018 4.587 50 10 JJGE C[C@H](SCc1ccccc1)C(=O)NN=C1C(=O)N(C/C=C\c2ccccc2)c2ccccc21 1084218659 SUCVEKIDCWIGKB-GWGRAFPJSA-N 455.583 4.889 50 10 JJGE COc1cccc(OCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)c1 1772756480 ZTNXZXYSTSHDOF-UHFFFAOYSA-N 469.335 4.566 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1 1865692554 CHYWWFUJIQKLCB-GOSISDBHSA-N 456.424 4.517 50 10 JJGE CCc1nn(CC)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865700945 ICKSPUPEFSQZCT-QFIPXVFZSA-N 464.953 4.925 50 10 JJGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc5c(c4)OCCO5)cs3)cc2C1=O 1872750566 HFRWBGZXFMBIPB-GYXJVLCKSA-N 487.537 4.926 50 10 JJGE Cc1cc2c(cn1)nc(CCl)n2-c1ccc(Br)c(I)c1 1917810825 SBRGIRWEERNQBX-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE CC[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br 1984649243 LJVUXXLQKNKFEC-LBPRGKRZSA-N 465.207 4.926 50 10 JJGE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)NC[C@H]2C[C@H](Br)C2)c1 2020169655 ZPZDQFPZJMNGMN-UMSPYCQHSA-N 462.182 4.699 50 10 JJGE ClCCN(Cc1ccsc1)c1ncc(I)cc1Br 2069528931 NBVNQPCLXDOOIJ-UHFFFAOYSA-N 457.562 4.756 50 10 JJGE CCc1nn(C)c(CC(CBr)(CBr)C2CCC2)c1Br 2089705214 MVZLFWXJZUCXEA-UHFFFAOYSA-N 457.048 4.864 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CCC[C@@H]1CCCCl 2142279977 XJPVBJPQBMEAOR-NSHDSACASA-N 456.549 4.677 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@H]2[C@H](Br)CCC[C@H]2C1 2150961590 MOCNKZYJLZITPD-MVWJERBFSA-N 466.011 4.847 50 10 JJGE FC(F)(F)[C@@H]1CN(Cc2cc(Cl)ccc2I)C[C@@H]1CBr 2163292636 SRALYUMUKLRIAW-GXSJLCMTSA-N 482.509 4.950 50 10 JJGE CN(C1(CBr)CCCC1)S(=O)(=O)c1cc(Br)ccc1Br 2170259283 GAJGFMMVDQMKRU-UHFFFAOYSA-N 490.055 4.540 50 10 JJGE Cc1cc(C(=O)N2CC[C@@H](Br)CC(C)(C)C2)ccc1I 2207107745 KQZDCBLYGNVIJF-CYBMUJFWSA-N 450.158 4.625 50 10 JJGE CC(C)CN(C[C@H](C)Cl)C(=O)c1ccc(I)c(Br)c1 2272427164 YEUGRSYDKKHWCZ-JTQLQIEISA-N 458.565 4.779 50 10 JJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)NC1CCCCC1 2314522490 LEORZXNSBZBBMU-UHFFFAOYSA-N 454.530 4.666 50 10 JJGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(CC)cc1 2314592978 FKCQUBXGQIPYPQ-OAQYLSRUSA-N 451.979 4.631 50 10 JJGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C)cc2Br)c(OCC)c1 2314735758 BDKQDLHVVXYTTK-UHFFFAOYSA-N 488.334 4.611 50 10 JJGE CCC(=CC(=O)N[C@H](C)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 2321344323 MDGYDAJHFDDQOK-CQSZACIVSA-N 488.407 4.968 50 10 JJGE Clc1cccc(C[C@@H](CBr)Cc2ncc(I)cn2)c1 2353309523 MNXIRVJITYENAA-LLVKDONJSA-N 451.533 4.531 50 10 JJGE CC(C)C[C@H](CBr)CN=[S@@]1(=O)CC[C@H](CNC(=O)OC(C)(C)C)C1(C)C 2353823689 DRDPGJZRRPCFAO-KVUUWBKYSA-N 453.487 4.835 50 10 JJGE O=C(c1cccc(Br)c1Br)N1[C@H]2CCC[C@H]2C[C@@H]1CBr 2354693563 AWDZRLZUFBZZCK-CWSCBRNRSA-N 466.011 4.990 50 10 JJGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 14652786 JIZRYYMILUQZMA-UHFFFAOYSA-N 483.362 4.745 50 10 JJGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)C1=O 38603427 JTLCWMMFEIVKLF-BUVRLJJBSA-N 466.541 4.859 50 10 JJGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccccc2C)cc1 39858578 FIPLFTCFJMQAET-CYVLTUHYSA-N 466.497 4.658 50 10 JJGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1C#N 58889885 LVAIALKXQKEBHC-SLLOZXFSSA-N 477.948 4.763 50 10 JJGE COc1cc(/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 101337414 SPINZOPSRXTYEZ-BCVDLATCSA-N 492.959 4.699 50 10 JJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cc(OC)c(OC)c(OC)c2)sc2c1CC[C@H](C)C2 209397620 RYYDEMNYWLVSHY-FBKCMUNRSA-N 484.574 4.621 50 10 JJGE CC[C@H](Br)c1nnc(-c2cc(I)ccc2Br)o1 233989114 MEZZOTIMWOLSPX-QMMMGPOBSA-N 471.918 4.950 50 10 JJGE O=C(NN=Cc1ccc(Sc2nc3ccccc3[nH]2)o1)c1cc(Br)ccc1O 252640420 YTLZXKIRAQEVIA-UHFFFAOYSA-N 457.309 4.539 50 10 JJGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc([N+](=O)[O-])cc3)n2C2CCCCC2)cc1 254365574 ZMHPUEDSPZNXOL-UHFFFAOYSA-N 478.578 4.909 50 10 JJGE O=C(NC1CCC(CBr)CC1)c1cc(Br)sc1Br 302632764 TWYKCRRWFCSXCV-UHFFFAOYSA-N 460.029 4.957 50 10 JJGE O=C(N[C@H]1CCC[C@@H](CBr)C1)c1ccc(I)c(Cl)c1 388120105 JREXSXCJIIIWNL-KOLCDFICSA-N 456.549 4.628 50 10 JJGE Brc1cc([C@@H]2CCC[C@H](CI)O2)cc2c1OCCCO2 394248603 SHZVUISELLOXCA-YPMHNXCESA-N 453.114 4.656 50 10 JJGE C[C@H](Cl)C[C@@H]1CCCN1C(=O)c1ccc(I)c(Br)c1 721625723 ZLNNSWYZGUCXKN-ONGXEEELSA-N 456.549 4.676 50 10 JJGE CCOc1cc(/C=C\C(=O)NN)cc(Br)c1OCc1ccc(Cl)cc1Cl 1081470392 FKDZLWNDYKGSQJ-UTCJRWHESA-N 460.155 4.737 50 10 JJGE CCOc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1Cl 1084534766 QEROOJMJXFKZSC-UHFFFAOYSA-N 453.882 4.990 50 10 JJGE O=C(COc1ccc(Br)cc1)NN=Cc1cccn1-c1ccc(Br)cc1 1084620099 RUYHTHRYJDCHLX-UHFFFAOYSA-N 477.156 4.531 50 10 JJGE C#CCN1CCC[C@H](NC(=O)/C(C#N)=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C1 1644638887 ZRZIDIHBKZBDCK-SRKIZSPNSA-N 455.389 4.522 50 10 JJGE CCOc1c(Br)cc(C=NNC(=O)COc2cccc3ccccc23)cc1OC 1772754560 YQHFGJVEWXWFNQ-UHFFFAOYSA-N 457.324 4.539 50 10 JJGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865693320 USWQQSLTYXCSJB-OAQYLSRUSA-N 468.916 4.522 50 10 JJGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865699452 UNHGDDJWRFTIMM-DEOSSOPVSA-N 465.557 4.781 50 10 JJGE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702204 PGWKAFNLUNWKQA-GOSISDBHSA-N 459.706 4.954 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865711971 MNBWKKRXTXICHH-XMMPIXPASA-N 464.525 4.834 50 10 JJGE C[C@@H](NC(=O)CCc1nc(-c2ccc(F)cc2)cs1)C(=O)Nc1ccc(SC#N)cc1 1867065087 GECOJJYLPBJFKZ-CQSZACIVSA-N 454.552 4.598 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H](CBr)C2(CCC2)C1 1914497718 QEBFRJTUSGDVQW-QMMMGPOBSA-N 472.040 4.910 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]2CCCC[C@@H]12 2010825133 GLOSIKBECNTHOX-KSZLIROESA-N 475.721 4.660 50 10 JJGE Br[C@@H](c1cc(I)cc2c1OCC2)[C@H]1C[C@@H](Br)C1 2020171720 LJCYFADSUAZVBS-VDDIYKPWSA-N 471.958 4.836 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H]2[C@@H](Br)CCC[C@H]2C1 2094589328 YTXIPBRBPQYRPU-SFGNSQDASA-N 472.040 4.909 50 10 JJGE C[C@@H]1CN(C(=O)c2cccc(Br)c2Br)CC[C@@H]1CBr 2109036868 WDWMFCMCUVZVFO-NXEZZACHSA-N 454.000 4.705 50 10 JJGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CCS(=O)(=O)C2)c1Br 2136378113 BPOGPVOSQCQYRS-ZANVPECISA-N 475.040 4.699 50 10 JJGE Brc1cnc(N2CC[C@@H]3CC[C@H](Br)C[C@@H]3C2)c(Br)c1 2139254591 OREIQULLGIZPHK-AXFHLTTASA-N 453.016 4.997 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2143971462 GAFYVFQBRYXBMT-RULNRJAQSA-N 468.560 4.723 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2164656934 RQHSSBMAOPYLRG-CHIMOYNISA-N 466.011 4.990 50 10 JJGE C[C@@H](Br)CN1CCCN(Cc2cccc(Br)c2Br)CC1 2176829341 YLPOOVXINQHHNB-GFCCVEGCSA-N 469.059 4.503 50 10 JJGE O=S(=O)(c1cc(CBr)ccc1Cl)N(Cc1ccccc1)CC1CCOCC1 2179785865 RPJRAKUVTUGKDH-UHFFFAOYSA-N 472.832 4.852 50 10 JJGE O=S1(=O)CCCC[C@H]1[C@H](Br)c1c(Br)cc(F)c(Cl)c1F 2201619265 PGHMCOPYNNGVMF-WPRPVWTQSA-N 452.542 4.784 50 10 JJGE Cc1cc(C(=O)NC[C@@H](CBr)CC(C)(C)C)ccc1I 2207105501 JLLQBKGGCDYUGQ-GFCCVEGCSA-N 452.174 4.777 50 10 JJGE O=C(c1ccc(Br)cc1I)N1C[C@H]2CCC[C@@]2(CCl)C1 2207269531 SWIWKGLVCZVKQN-MEBBXXQBSA-N 468.560 4.535 50 10 JJGE Cn1nc(Br)c([C@H](Br)c2cc(Cl)c(Br)s2)n1 2210978021 LJMSXCQRIMMTFT-RXMQYKEDSA-N 450.381 4.539 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CN(CCCCCI)CC[C@H]1C(F)(F)F 2220216784 NCDGMRDAQLESJJ-ZIAGYGMSSA-N 478.337 4.617 50 10 JJGE C[C@@]1(CBr)C=CCCN1C(=O)c1ccc(I)c(Cl)c1 2264384682 JKWLRALWHFBXPD-AWEZNQCLSA-N 454.533 4.500 50 10 JJGE C[C@@]1(CBr)CCCCN1C(=O)c1ccc(Cl)c(I)c1 2268341744 QLORQVSCVJTUCK-AWEZNQCLSA-N 456.549 4.724 50 10 JJGE COc1ccc([C@H](Br)c2cc3c(s2)CCOC3)cc1I 2284999646 WYPOVQHPTCZKQE-HNNXBMFYSA-N 465.150 4.918 50 10 JJGE O=C(NN=Cc1cc(Br)ccc1O)C(=CC=Cc1ccccc1)NC(=O)c1ccccc1 2297322126 XVRURULUPCATMB-UHFFFAOYSA-N 490.357 4.632 50 10 JJGE CN(Cc1ccc(I)c(Br)c1)CC1CC(Br)C1 2306218561 BIJXEQVUYHHELS-UHFFFAOYSA-N 472.990 4.659 50 10 JJGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CNCc1ccc(Br)cc1 2325312950 XBLYIBLFQXBUQM-UHFFFAOYSA-N 456.340 4.542 50 10 JJGE CO[C@H](CO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 2336211950 KGVFGVQPKFOTHS-YLJYHZDGSA-N 475.367 4.595 50 10 JJGE Cc1c(Br)cccc1CNCC(F)(F)C(F)(F)CI 2336534791 RQDJQBATUPWOAD-UHFFFAOYSA-N 454.043 4.553 50 10 JJGE Cn1nc(Br)c(Br)c1[C@H](Br)Cc1ccc2c(c1)CCO2 2364032169 QTIDWNQPYHPMIZ-SNVBAGLBSA-N 464.983 4.559 50 10 JJGE C[C@@H]1CCCC/C1=N/NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 9183581 SCGIGAFUXBXNBT-CINSFREOSA-N 464.385 4.546 50 10 JJGE CC[C@H](C)Oc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 10292283 JDIVBQGLCYHXNV-HNNXBMFYSA-N 477.399 4.764 50 10 JJGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1cccc2ccccc12 14768769 GDLBUYMQZKCIBU-RUZDIDTESA-N 454.526 4.891 50 10 JJGE O=C(N/N=C/c1cc(Br)ccc1O)c1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1 27520388 DXCMTKAGCCZWDW-WYMPLXKRSA-N 479.290 4.975 50 10 JJGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(F)c2)cc1Cl 38700508 QYXYKUASYTUZFJ-JOCHJYFZSA-N 450.853 4.925 50 10 JJGE O=C(NNc1ncnc(Nc2cccc(Cl)c2Cl)c1[N+](=O)[O-])c1cccc(Cl)c1 40646715 DBANUILAQJTXLO-UHFFFAOYSA-N 453.673 4.846 50 10 JJGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 58891236 QLPNOQGYGVLFKE-SDEVNZIBSA-N 456.502 4.562 50 10 JJGE O=C(CSCc1ccc(Cl)cc1)N/N=C1/C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 59146519 ZMXOLXLKXMRQRM-SLEBQGDGSA-N 494.960 4.549 50 10 JJGE C[C@H]1CCc2c(sc3nc(SCC(=O)/C(C#N)=C4/Nc5ccccc5S4)[nH]c(=O)c23)C1 103908363 XLERDDFWPBPCFH-PYXNCVKXSA-N 466.613 4.724 50 10 JJGE O=C(N[C@H]1CCCCC[C@@H]1Br)c1ccc(I)c(Cl)c1 232349827 WHQAZBJXURXLCR-GWCFXTLKSA-N 456.549 4.771 50 10 JJGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cccc3ccccc23)cc1 254291360 XSLZUONYBMGFIQ-CPOZLEKOSA-N 462.553 4.827 50 10 JJGE CCOc1cc(C=NNC(=O)COc2ccc(C)cc2)ccc1OC(=O)c1ccccc1Cl 254577758 JKRNARSFBKRQGO-UHFFFAOYSA-N 466.921 4.795 50 10 JJGE CC(=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1cccnc1 254763977 OGJBETUNDVAMFF-UHFFFAOYSA-N 456.575 4.579 50 10 JJGE C[C@@H]1CN(c2ncc(C(F)(F)F)cc2I)C[C@@]1(C)CBr 686112746 UORZMWJPJULYHL-PRHODGIISA-N 463.079 4.562 50 10 JJGE C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)c(Br)s2)[C@H]1CCBr 697194353 QCIFZRQVXZWTJD-WPRPVWTQSA-N 465.660 4.738 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2C[C@@H]2C(C)(C)C)C1 703464843 SPLHJLZFPQNVAD-ZRGWGRIASA-N 451.389 4.890 50 10 JJGE O=C(NN=Cc1c(O)ccc2ccccc12)[C@@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1083929431 ODHVFQMUWUHFOU-IBGZPJMESA-N 472.423 4.592 50 10 JJGE Cc1nn(-c2ccccc2)c(N(C)C)c1C=NNC(=O)CCCSc1nc2ccccc2s1 1084242588 QOONWRSWNHDCKK-UHFFFAOYSA-N 478.647 4.879 50 10 JJGE CCOc1ccc(C(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 1084528789 QBNOIROQHOVBLM-UHFFFAOYSA-N 463.490 4.735 50 10 JJGE C/C(=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(=O)NNc1nc[nH]n1 1161431533 IETKJFSXBABGRG-RGEXLXHISA-N 455.518 4.509 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)cc1OCC 1865689278 OJKRJFYTNREOHJ-JOCHJYFZSA-N 460.534 4.594 50 10 JJGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865692101 JBDFXOGWMRJNPA-NRFANRHFSA-N 450.926 4.714 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccccc1C(=O)O 1865704320 SLPAEAFBJSTPQQ-INIZCTEOSA-N 474.826 4.520 50 10 JJGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865706712 DAVHIQIIGBQGET-FQEVSTJZSA-N 468.916 4.609 50 10 JJGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1sccc1I 1914654278 FAPTZIZKVSGFGZ-LLVKDONJSA-N 464.166 4.779 50 10 JJGE C[C@H](NCCSSCCNC(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1985350319 OMJQIJKVPKKRNL-INIZCTEOSA-N 463.710 4.518 50 10 JJGE CS(=O)(=O)C1([C@@H](Br)c2cc(Br)sc2Br)CCC1 2001804485 CHDNWMCLJDGYAV-QMMMGPOBSA-N 467.042 4.676 50 10 JJGE O=C(N[C@@H]1CCC[C@@H]1CCBr)c1scc(Br)c1Br 2030115839 FDAGOFCUGSWFAO-VXNVDRBHSA-N 460.029 4.957 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@@H](Br)CC12CCC2 2038057877 CNPROLLBQRSEKE-ZETCQYMHSA-N 458.013 4.805 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1[C@H](CBr)[C@H]2CC[C@@H]1C2 2058366228 KMBHPGNSZZQFJW-LKEWCRSYSA-N 458.013 4.661 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CC[C@H](Br)[C@@H]1C1CC1 2067018094 WAFDVBYGVAKAOZ-WPRPVWTQSA-N 458.013 4.661 50 10 JJGE C[C@H]1CC[C@](CBr)(NC(=O)c2cc(Br)c(Br)s2)C1 2074214169 WEDDXPXVBGHBKX-MADCSZMMSA-N 460.029 4.957 50 10 JJGE CN(C[C@@H]1CCC[C@H]1Br)C(=O)c1cccc(Br)c1Br 2092334569 VUTIFXMTAAYNJS-GXSJLCMTSA-N 454.000 4.847 50 10 JJGE CCCN1CCC[C@H]([C@@H](Br)c2cscc2OCc2ccccc2)S1(=O)=O 2100080654 XDEIQJXCCIYAJA-MOPGFXCFSA-N 458.443 4.967 50 10 JJGE C[C@H](NC(=O)c1c(Br)cccc1Br)[C@H]1CCC[C@H]1Br 2111556175 XAQPJVQRWPKVGX-IVZWLZJFSA-N 454.000 4.894 50 10 JJGE C[C@H]1C[C@@H](CBr)CCN1C(=O)c1ccc(Br)cc1Br 2115844443 RSMXGIMJKPJSOC-UWVGGRQHSA-N 454.000 4.847 50 10 JJGE CC(C)C[C@H](CBr)CNC(=O)c1cc(Br)ccc1Br 2120741531 BVCLUQAAWGPJII-SNVBAGLBSA-N 456.016 4.999 50 10 JJGE O=S(=O)(c1ccc(Cl)c(CBr)c1)N1CCC[C@H](OCc2ccccc2)C1 2129814247 LPLPDNSPHUVUOT-KRWDZBQOSA-N 458.805 4.605 50 10 JJGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CO[C@@H]3COC[C@H]32)c1Br 2138870531 JLXSWXZUVOBMPB-SVBLFDIKSA-N 454.984 4.617 50 10 JJGE CN(C(=O)c1cc(I)ccc1Br)C1(CCl)CC(C)(C)C1 2164566826 HQRUJCVNFJARRB-UHFFFAOYSA-N 470.576 4.923 50 10 JJGE Cc1cccc(C(=O)N(C)C[C@@H](Br)C2CCCC2)c1I 2167648559 WOWGRGMNCVENEL-CQSZACIVSA-N 450.158 4.625 50 10 JJGE C[C@](CI)(OCCCN1CCCC1)c1ccccc1Br 2175876330 HVLUGPUCYIYMOY-MRXNPFEDSA-N 452.174 4.602 50 10 JJGE O=S(=O)(c1cc(CBr)c(Cl)cc1Cl)N1CCC=C(Br)C1 2179834487 JIJSQSMURXXLOB-UHFFFAOYSA-N 464.006 4.562 50 10 JJGE C[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(CBr)c2Cl)CCN1Cc1ccccc1 2179863148 HXFFSUUCIZBWQG-CQSZACIVSA-N 492.266 4.783 50 10 JJGE CC(C)(C)[C@@H]1[C@@H](Cl)CCN1C(=O)c1cc(Br)ccc1I 2185114081 NXDFCOXFRFLENW-AAEUAGOBSA-N 470.576 4.922 50 10 JJGE O=C(c1cccc(Br)c1Br)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Br)C2 2190687057 YQGALZULWJPUOL-HKDSHFDBSA-N 469.974 4.690 50 10 JJGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)NCc1ccccc1 2293402374 SJENCNPBQHKSOA-UHFFFAOYSA-N 452.264 4.841 50 10 JJGE COc1cccc(NC(=O)C(C#N)=Cc2c(Oc3cccc(C)c3)nc3c(C)cccn3c2=O)c1 2314531530 BZJGAPLSUZPSRC-UHFFFAOYSA-N 466.497 4.658 50 10 JJGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C(C)C)c(C)c2)c(OC)c1 2314737736 OFYCZQWVXHKPRM-UHFFFAOYSA-N 450.535 4.545 50 10 JJGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc5c(c4)OCCO5)cs3)cc2C1=O 2331330785 HFRWBGZXFMBIPB-AWEZNQCLSA-N 487.537 4.926 50 10 JJGE CCN(C[C@](C)(CI)OC[C@H](OC)c1ccccc1)C(=O)OC(C)(C)C 2336211846 JCDURPVSXSCGCW-PXNSSMCTSA-N 477.383 4.841 50 10 JJGE O=C(NC[C@@H]1CCC[C@H](CBr)C1)c1ccc(Cl)cc1I 2365586986 RTYHVEXYADDYIC-WDEREUQCSA-N 470.576 4.876 50 10 JJGE COc1c(F)cc([C@@H](Br)c2c(Br)c(Br)nn2C)cc1F 2370449160 RUFHHZVRTQVEOD-MRVPVSSYSA-N 474.925 4.716 50 10 JJGE Cc1cc(C)nc(NS(=O)(=O)c2ccc(N/C=C(\C#N)c3nc4cc(Cl)ccc4o3)cc2)n1 16283608 AUCQQYRHNJOJEF-NTCAYCPXSA-N 480.937 4.665 50 10 JJGE COc1ccc(-c2nnc(COC(=O)/C(C#N)=C/c3cc(C)n(-c4ccc(F)cc4)c3C)o2)cc1 28076574 BISUVDBRXCNDID-DEDYPNTBSA-N 472.476 4.942 50 10 JJGE CCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)cc1 40812240 PEUUYAOOMUTHLS-NHFJDJAPSA-N 476.489 4.618 50 10 JJGE O=C(N/N=C(/CSc1nc2ccccc2[nH]1)c1cccc(Br)c1)c1ccccc1O 59460794 SLSLHSMFUQVKCC-XHPQRKPJSA-N 481.375 4.957 50 10 JJGE O=C1NCCc2ccc([C@@H](Br)c3cc(Br)ccc3Br)cc21 161106588 LAMUZOGEKQEHFP-OAHLLOKOSA-N 473.990 4.982 50 10 JJGE CCc1ccc([C@H](C)N/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)cc1 217253839 DCFWSEWCJQWCOB-LUJRCDHRSA-N 459.331 4.859 50 10 JJGE O=S(=O)(NCCC1(CBr)CC1)c1c(Cl)cc(Br)cc1Cl 395889995 SZENHLBUEMKSOW-UHFFFAOYSA-N 466.022 4.599 50 10 JJGE C[C@H]1CN(C(=O)c2cc(Br)c(Br)s2)C[C@H](C)C1Br 688134518 OYMSKESMDQGLIT-BQBZGAKWSA-N 460.029 4.765 50 10 JJGE CN([C@H](CBr)C(C)(C)C)S(=O)(=O)c1cc(Cl)c(Br)s1 689233974 YRPHEGKEORUARR-MRVPVSSYSA-N 453.649 4.594 50 10 JJGE CN(C[C@@H]1CCC[C@H]1Br)C(=O)c1scc(Br)c1Br 689345807 YAPIGWDOPWOVKK-JGVFFNPUSA-N 460.029 4.909 50 10 JJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21 1084277749 KYKWDPDCPIHYJM-HNNXBMFYSA-N 468.340 4.828 50 10 JJGE CC(=O)c1cc(C(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)ccc1OC(C)C 1624162594 QKNBOWNWIBNTHY-GOSISDBHSA-N 456.608 4.964 50 10 JJGE Cn1cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1c(F)cccc1Cl 1865698701 AREMBLOZUVJQGS-OAQYLSRUSA-N 459.912 4.948 50 10 JJGE Cc1nn(C)c([C@H](Br)[C@@H](C)c2ccncc2Br)c1Br 1877175274 LTHPNGFAZQIKPC-WRWORJQWSA-N 451.988 4.888 50 10 JJGE C[C@H]1CC[C@](CBr)(NC(=O)c2cccc(Br)c2Br)C1 1880900672 RGUJIZNWRSYRGS-XPTSAGLGSA-N 454.000 4.895 50 10 JJGE O=C(NCC[C@H]1CCC[C@@H]1Br)c1cc(Br)sc1Br 1913721870 RSLCWIAREBLSOW-APPZFPTMSA-N 460.029 4.957 50 10 JJGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(I)cc1 1914211548 DAPBIJRVBGYSBP-ZDUSSCGKSA-N 458.137 4.717 50 10 JJGE Cc1c(Br)sc([C@H](Br)C(C)(C)S(C)(=O)=O)c1Br 1922942134 QIUYCNVKESAQGS-QMMMGPOBSA-N 469.058 4.841 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@@H](Br)[C@H](C2CC2)C1 2030211786 BYNMTDXKGFQMMX-JGVFFNPUSA-N 458.013 4.519 50 10 JJGE O=S1(=O)C[C@@H]2[C@H]([C@@H](Cl)c3c(Br)sc(Br)c3Br)[C@@H]2C1 2054225754 FWTDQVYTOWSFSW-GUMKFJOWSA-N 499.471 4.606 50 10 JJGE CCC[C@H](Br)c1cn(-c2cc(Br)ccc2I)nn1 2057426644 HJOOVFZPYLPVMV-VIFPVBQESA-N 484.961 4.871 50 10 JJGE C=CCC[C@H](CBr)NC(=O)c1ccc(I)c(Br)c1 2075340409 DBHNWQNQCXZYRS-SNVBAGLBSA-N 486.973 4.513 50 10 JJGE CC(C)C[C@@H](CBr)NC(=O)c1ccc(Br)cc1I 2086139590 QNRISECTIMZSLO-JTQLQIEISA-N 488.989 4.593 50 10 JJGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2CCC[C@@]2(CCl)C1 2159402082 SWILGSDEBNLRBK-ZUZCIYMTSA-N 468.560 4.535 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H]2CCC[C@@]2(CBr)C1 2159408510 LSBDRIQTIGULOA-IAQYHMDHSA-N 468.560 4.582 50 10 JJGE CC(C)C[C@@H](CBr)CNS(=O)(=O)c1cc(Br)ccc1Br 2177247502 YARGSPZPJVNOHW-JTQLQIEISA-N 492.071 4.547 50 10 JJGE C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(CBr)c(Cl)c2)CN1Cc1ccccc1 2179858720 SGIKWWPRFIEWFU-QAPCUYQASA-N 471.848 4.518 50 10 JJGE Cc1c(Br)cnc2c1nc(CCl)n2-c1ccccc1I 2184922883 RINKDOVIQUMWOF-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE Cc1cc(C(=O)CCl)c(C)n1-c1ccc(Br)cc1I 2231622994 NUJMZKSFKKHYKV-UHFFFAOYSA-N 452.517 4.883 50 10 JJGE CC(CBr)(CBr)NC(=O)c1cc(F)c(Br)cc1Cl 2256014617 PIGMJOQCBDKXHZ-UHFFFAOYSA-N 466.370 4.520 50 10 JJGE C[C@H](Br)CN(C(C)(C)C)S(=O)(=O)c1cc(Cl)c(Br)s1 2272455490 YKXSTTVBFISJEI-ZETCQYMHSA-N 453.649 4.737 50 10 JJGE C=CC[C@]1(CCl)CCN(C(=O)c2ccc(Br)cc2I)C1 2287764596 LHINFVKTWTXCDL-OAHLLOKOSA-N 468.560 4.701 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OC(=O)c1ccc(C)cc1 2293606155 WEMSLMOXFCJHNH-UHFFFAOYSA-N 470.481 4.857 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CC2(CC2)C[C@H]1CBr 2295311882 QGKAXNVZAZDASB-ZDUSSCGKSA-N 466.011 4.530 50 10 JJGE CC(C)(CI)CN1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 2306818472 KSYNSLWIMXVMNO-HZPDHXFCSA-N 450.405 4.559 50 10 JJGE C[C@@H](Br)CCCN(C)C(=O)c1cc(Br)ccc1I 2314598556 MHIMKEZMGHUQGS-SECBINFHSA-N 488.989 4.689 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1 2314640784 ZJQFJTOOQLPIOM-HHHXNRCGSA-N 468.509 4.931 50 10 JJGE COc1cc(C=NNC(=O)Cc2ccc(O)cc2)ccc1OCc1c(Cl)cccc1Cl 2318414642 DTTLHCPRHPWZNQ-UHFFFAOYSA-N 459.329 4.979 50 10 JJGE Cc1sc2ncn(CC(=O)NN=Cc3cccc(Cl)c3Cl)c(=O)c2c1-c1ccccc1 2318792688 JQYQUKWGHVPQHZ-UHFFFAOYSA-N 471.369 4.891 50 10 JJGE CCN(C[C@](C)(CI)OCC1C[C@H]2[C@H](C1)C2(F)F)C(=O)OC(C)(C)C 2320757116 LNRPMAJCNXRGJP-ZQIUZPCESA-N 473.342 4.745 50 10 JJGE Cc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 2331313493 MMKGUMONKNLXPX-UHFFFAOYSA-N 474.498 4.896 50 10 JJGE C=CC[C@H](Br)[C@@H]1CCN1C(=O)c1ccc(I)c(Br)c1 2335818263 PZVGXVIHYYQBOW-GWCFXTLKSA-N 498.984 4.608 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@@]2(CBr)CC[C@H]1C2 2336474235 VGFFKUUNKUPGKH-HZMBPMFUSA-N 451.984 4.601 50 10 JJGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 10683769 LITMVZDKAHATQH-KBXCAEBGSA-N 497.817 5.000 50 10 JJGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(OCC(C)C)cc1 14033110 RQXKNTDQRYGNBB-UHFFFAOYSA-N 471.623 4.630 50 10 JJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)cc2)c1 14040228 DKCQYTZEFOHLQD-IBGZPJMESA-N 459.546 4.599 50 10 JJGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)Nc1ccc(C)c(C)c1 39858836 OYMJHZGJYVFARY-HKWRFOASSA-N 480.524 4.966 50 10 JJGE Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)CN(Cc1ccccc1)Cc1ccccc1 59160257 ILPBRIJNSNTFMP-RDRPBHBLSA-N 451.574 4.642 50 10 JJGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)cc1 103874679 YHGPLHOSCXMDOS-JCMHNJIXSA-N 471.538 4.750 50 10 JJGE COc1cc(C=NNC(=O)c2cc(Br)ccc2OC)ccc1OCc1ccc(F)cc1 252627306 RRHCLPABYIEKGB-UHFFFAOYSA-N 487.325 4.948 50 10 JJGE COc1cccc(C(=O)Oc2ccc(C=NNC(=O)Cc3cccc4ccccc34)cc2OC)c1 254507963 VGAOSXCZZKQMBX-UHFFFAOYSA-N 468.509 4.769 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=C/C=C/c3ccccc3)n2-c2ccccc2)cc1 254672062 ZYVJJWFTZJFKKK-QFYRLPJPSA-N 469.570 4.850 50 10 JJGE COc1cc(Cl)c([C@@H](Br)c2cnn(C)c2I)cc1Cl 381946700 VOLDAPHQFISUBY-LLVKDONJSA-N 475.939 4.824 50 10 JJGE Fc1cnc2c(c1)nc(CCl)n2-c1cc(I)ccc1Br 400284321 GHWICPZHKIQHPJ-UHFFFAOYSA-N 466.479 4.666 50 10 JJGE O=S(=O)(Nc1cc(Br)cc(Br)c1)c1ccc(CBr)cc1 690359645 ZKSJRCUKKFXWLJ-UHFFFAOYSA-N 484.007 4.907 50 10 JJGE COC[C@@H](CC(CBr)(CBr)c1ccccc1Br)OC 694712777 LYOPACYATGXOKB-LLVKDONJSA-N 459.016 4.528 50 10 JJGE C[C@H]1CCCN(C(=O)c2cc(Cl)ccc2I)[C@H]1CCBr 700331556 WZSMHRMBOPTUPB-HZMBPMFUSA-N 470.576 4.970 50 10 JJGE C[C@@H](Br)[C@H]1CCCN(C(=O)c2cc(Br)sc2Br)C1 708415476 OVBLQRJWZBFUIA-SFYZADRCSA-N 460.029 4.909 50 10 JJGE Cc1cc(C=NNC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1083879171 MQJTZYDDHGCUGI-UHFFFAOYSA-N 474.300 4.561 50 10 JJGE C=CCOc1c(Cl)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1Cl 1084472137 YKUUJPHESOYYNZ-HXUWFJFHSA-N 451.350 4.921 50 10 JJGE C=CCC[C@H](NC(=O)NNC(=O)[C@H](C)Oc1ccccc1F)c1ccc(C(F)(F)F)cc1 1478272657 OFSSLXFJCTXTGU-KSSFIOAISA-N 453.436 4.650 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865701586 YVRVLCGQTUQLEW-FQEVSTJZSA-N 495.377 4.823 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865706789 FQKMFCNCYTZPLR-HXUWFJFHSA-N 457.317 4.723 50 10 JJGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2)cc1 1865712437 YEYXXBZSVXZKPM-QHCPKHFHSA-N 450.498 4.775 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865713024 OSDCKAKSOCOHDD-DEOSSOPVSA-N 482.515 4.973 50 10 JJGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)Cc1ccc(Cl)c(Cl)c1 1865759808 SVULYJFRTXIRID-UHFFFAOYSA-N 450.272 4.646 50 10 JJGE COc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1OC 1866133313 YHKSQXAUNAPAEE-AAGJOFLKSA-N 467.591 4.561 50 10 JJGE Cc1cc(C(=O)NC(C)(C)C(=O)Nc2ccc(SC#N)cc2)nn1-c1ccc(Br)cc1 1866848806 OKNIOUZHNUYHSJ-UHFFFAOYSA-N 498.406 4.664 50 10 JJGE C[C@H](CCCl)N(Cc1ccccc1)C(=O)c1c(Br)c(Br)nn1C 1900969996 MKIBQZJCGSHZOM-LLVKDONJSA-N 463.601 4.605 50 10 JJGE COCC1(CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)CCCCC1 2094486157 FKYZRMXBEVJVCF-FQEVSTJZSA-N 481.415 4.805 50 10 JJGE O=C(N[C@H](CCl)c1ccsc1)c1ccc(I)c(Br)c1 2119039428 MRUKULUJWMNGDH-GFCCVEGCSA-N 470.557 4.825 50 10 JJGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)CC(F)(F)F)cc(CBr)c1F 2123270630 ZAELKYMRUNQDOC-UHFFFAOYSA-N 454.283 4.782 50 10 JJGE CN([C@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1 2156439838 YKAQHQVLVNCKBI-PMACEKPBSA-N 452.414 4.586 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](Cl)CCC12CCC2 2174532243 IHFMLAOVAZLRKL-NSHDSACASA-N 468.560 4.820 50 10 JJGE C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1cc(CBr)ccc1Cl 2179793362 SRLYGJCCQDDSEH-MRXNPFEDSA-N 471.848 4.520 50 10 JJGE Cc1sc(CBr)cc1S(=O)(=O)N(C)[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2179822875 BNNOTUZRSFDWNQ-HKUYNNGSSA-N 472.470 4.956 50 10 JJGE BrC[C@@H]1C[C@H]2OCCN(Cc3ccc(Br)cc3Br)[C@@H]2C1 2199761196 BGMRLRKVIMWGPW-COLVAYQJSA-N 468.027 4.586 50 10 JJGE CC[C@@H](C)[C@H](CBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 2201195689 LVWGWOKUCMOAKW-PELKAZGASA-N 492.071 4.608 50 10 JJGE Brc1cccc([C@H](CI)OCC23CCC(CC2)OC3)c1 2203670595 XLISAYGWHLFWHU-PCKAHOCUSA-N 451.142 4.901 50 10 JJGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@H](Cl)CC[C@H]2C1 2207274002 YQMKZYFVSVZTEM-HOSYDEDBSA-N 468.560 4.533 50 10 JJGE O=C(c1cc(Br)sc1Br)N1[C@H]2CC[C@H](Br)[C@H]1CC2 2222296711 WCSJASUMXIFITP-CNUIFLNQSA-N 458.013 4.804 50 10 JJGE CC[C@@H](C)[C@@H](CI)NC(=O)Cc1ccc(Br)cc1Cl 2229149209 GRBOOBKBVWFMGP-NOZJJQNGSA-N 458.565 4.611 50 10 JJGE C[C@@]1(CBr)C=CCCN1C(=O)c1cccc(Br)c1Br 2264392020 KECIGGCEAFZZFM-AWEZNQCLSA-N 451.984 4.767 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1C(C)C 2314737648 GPLRCEMCDMYYOU-UHFFFAOYSA-N 474.513 4.619 50 10 JJGE CN(C)S(=O)(=O)c1ccc(C(=O)Oc2cccc(C=C(C#N)c3ccc(Cl)cc3)c2)cc1 2320510750 AYSOOSXOYLICDJ-UHFFFAOYSA-N 466.946 4.874 50 10 JJGE COc1cc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc([N+](=O)[O-])c1OC(C)C 2323149769 QMPHDMYLBJLXMJ-UHFFFAOYSA-N 450.495 4.515 50 10 JJGE C=CC[C@H](Br)[C@@H]1CCN1C(=O)c1cc(Br)ccc1I 2335811102 RDOULPPGWORLGY-AAEUAGOBSA-N 498.984 4.608 50 10 JJGE CC[C@]1(C)[C@H](Cl)CCN1C(=O)c1cc(Br)ccc1I 2336763350 ZMCSWFPJHZNQSU-TZMCWYRMSA-N 456.549 4.676 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1COCCOC1 2339658592 JVGMHKDFJIDXHS-NSHDSACASA-N 460.963 4.758 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(C)c(I)c2)cc1 14025480 CLHLMTSBYJPBAZ-UHFFFAOYSA-N 480.346 4.634 50 10 JJGE CCCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(C)cc1Br 14032679 FQELGICWWAVXOB-UHFFFAOYSA-N 463.372 4.557 50 10 JJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)cc2)c1 14040227 DKCQYTZEFOHLQD-LJQANCHMSA-N 459.546 4.599 50 10 JJGE O=C(N/N=C/c1cc(Br)ccc1O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 27520083 ZRRBIYBDFNSDAB-WYMPLXKRSA-N 472.726 4.824 50 10 JJGE Cc1ccc2c(c1)/C(=N\NC(=O)COc1ccc3cc(Br)ccc3c1)C(=O)N2C(C)C 33959288 OENDWKKTXAEJRV-SLEBQGDGSA-N 480.362 4.565 50 10 JJGE CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 35519909 ULCYKOQUBZDWJE-RIYZIHGNSA-N 482.842 4.855 50 10 JJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1 38658170 FROWZVUYNNRLHD-QUGAMOGWSA-N 486.499 4.982 50 10 JJGE O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1cc(Cl)cc(Cl)c1O 59202488 KOQFCDQGVZLNBY-GEVRCRHISA-N 468.240 4.868 50 10 JJGE CCc1ccc(OCC(=O)N/N=C/c2ccc(SCC(=O)Nc3c(C)cccc3C)o2)cc1 59506450 JLUVJJXIZPJURD-VULFUBBASA-N 465.575 4.719 50 10 JJGE CN(Cc1ccc(Br)cc1)S(=O)(=O)c1cc(CCl)sc1Br 91271273 KPAAMCBOONOGOY-UHFFFAOYSA-N 473.639 4.833 50 10 JJGE CCCOc1c(Br)cc(/C=C(/C#N)S(=O)(=O)c2ccc(F)cc2)cc1OC 96792445 MTJCEFODYYZKTB-SXGWCWSVSA-N 454.317 4.724 50 10 JJGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)NC)cc1 101240664 PSCXNKGBCGWQMI-SBOLGIJOSA-N 476.385 4.564 50 10 JJGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242404 SAZFADTWMZVFAQ-NLTRVXJZSA-N 487.581 4.729 50 10 JJGE COC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1 102934298 PYKUKLBBKCUZNE-PTNGSMBKSA-N 474.454 4.588 50 10 JJGE CCn1c(=O)oc2cc([C@@H](Br)c3ccc(I)cc3)ccc21 109880459 MVLVFGLWWWNTOX-HNNXBMFYSA-N 458.093 4.703 50 10 JJGE COc1cc(/C=N\NC(=O)Cc2ccc(O)cc2)ccc1OCc1c(Cl)cccc1Cl 169901390 DTTLHCPRHPWZNQ-ZMFRSBBQSA-N 459.329 4.979 50 10 JJGE CCCCCOc1ccc(O[C@@H](C)C(=O)NN=Cc2cc(OC)ccc2Br)cc1 252622309 NSEJOVIUQLEUQQ-INIZCTEOSA-N 463.372 4.944 50 10 JJGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)ccc1OCc1ccc(C(C)(C)C)cc1 256028453 MXYKNMADVFYHPO-UHFFFAOYSA-N 499.662 4.638 50 10 JJGE Cc1ccnc2c1nc(CCl)n2-c1ccc(Br)c(I)c1 312634281 SHQMILPXEOCGMS-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE FC(F)(F)c1cnc(N2CCCC[C@@H](CBr)C2)c(I)c1 686112200 YPTSHQXANQORFW-VIFPVBQESA-N 463.079 4.706 50 10 JJGE C[C@H]1CN(C(=O)c2cc(Br)cc(Br)c2)C[C@@]1(C)CBr 694701533 XGWNIYURPZPKQV-LKFCYVNXSA-N 454.000 4.705 50 10 JJGE O=C(N[C@H]1CCCC[C@@H]1CCl)c1ccc(I)c(Br)c1 721620832 PAMSXYSRIDLQES-MFKMUULPSA-N 456.549 4.581 50 10 JJGE Cc1occc1C(=O)NC1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1 727333224 RYEHFEYACLXULG-KGENOOAVSA-N 490.991 4.977 50 10 JJGE CSc1ccc(NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1 853447304 DVOKASVLDHYVMU-XTFSCAMASA-N 485.569 4.663 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 1084451682 LRLHARHUXMDQJJ-RUZDIDTESA-N 476.573 4.945 50 10 JJGE Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)NNC(=O)c1ccc(Br)cc1 1326747160 ZBVZBROJCHRWSF-GFCCVEGCSA-N 477.359 4.725 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1OCC 1865689211 MSKXAVUOMQTQDZ-QHCPKHFHSA-N 464.953 4.909 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)cc1OC 1865694845 CXZUHDTUENRBMS-OAQYLSRUSA-N 450.926 4.714 50 10 JJGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865695494 DKEXADFLCNXBQX-HXUWFJFHSA-N 483.341 4.709 50 10 JJGE C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1866840067 OUONRXOCYZWRTN-XDHUDOTRSA-N 477.561 4.649 50 10 JJGE C[C@@]12CN(C(=O)c3cc(Br)c(Br)s3)C[C@@]1(CBr)C2 2046797578 JUTVPHMQVWULFQ-NEPJUHHUSA-N 458.013 4.520 50 10 JJGE Cc1cc(Br)c(C(=O)N(C)C[C@H]2C[C@H]2Br)cc1NC(=O)OC(C)(C)C 2076221468 XIKWDKQBEHFYET-DGCLKSJQSA-N 476.209 4.960 50 10 JJGE O=C(c1cccc(Br)c1Br)N1[C@H]2CC[C@@H]1C[C@@H](Br)C2 2098695693 TVJCNIMHDZCLSG-OWUUHHOZSA-N 451.984 4.742 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@@H]2CCC[C@@]2(CBr)C1 2103171003 GCDHAZXDROXVRT-ISVAXAHUSA-N 472.040 4.910 50 10 JJGE C[C@@H]1CC[C@@H](CCl)N(C(=O)c2ccc(Br)cc2I)C1 2142285365 OQCMGGQGUOGEAZ-KOLCDFICSA-N 456.549 4.533 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Br)C2 2190680612 XGIUGEIBIOOSQO-MHNYQROPSA-N 469.974 4.690 50 10 JJGE CC(C)(C)OC(=O)Nc1ccc(C(=O)NCC2CC(Br)C2)cc1C(F)(F)F 2196903051 JFBYCYRIEFPXOP-UHFFFAOYSA-N 451.283 4.956 50 10 JJGE CS(=O)(=O)[C@H]1C[C@H]([C@H](Br)c2cc(Br)c(Br)s2)C1 2248993976 JHCHDKWXBKEWOR-WATHFIQWSA-N 467.042 4.532 50 10 JJGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)cc1 2296718480 LABMQVHGQCWKGJ-UHFFFAOYSA-N 456.889 4.994 50 10 JJGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCc3ccccc3)c(Oc3ccc(Cl)cc3)nc12 2296719473 YWPRXBINYHPDAP-UHFFFAOYSA-N 470.916 4.672 50 10 JJGE COc1ccc(C)cc1NC(=O)[C@H](OC(=O)C(C#N)=Cc1ccc2c(c1)OCO2)c1ccccc1 2297348621 QPQALJDTIXGDDW-RUZDIDTESA-N 470.481 4.563 50 10 JJGE CNC(=O)C(C#N)=C1S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(C)c(C)c1 2314594071 YPARLGAHLQWRCF-GOSISDBHSA-N 460.386 4.783 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CC[C@H]2C[C@]1(CBr)C2 2314958962 VQFXNMQGFQLPEN-OGXFKERWSA-N 458.013 4.663 50 10 JJGE COc1cc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1c(Cl)cccc1Cl 2328818687 LNUXSYBCDNULDC-AWEZNQCLSA-N 496.391 4.944 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CC[C@@H]2CC[C@@H](Br)[C@H]1C2 2365592629 QOZHBFZRBIOPEU-MRCXROJRSA-N 468.560 4.723 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@@H]2CCCCC23CCOCC3)C1 2368371281 JONZJJUCIPBBDL-DYESRHJHSA-N 493.426 4.947 50 10 JJGE O=C(COc1ccc(C=NNC(=O)c2cc3ccccc3o2)cc1Br)Nc1ccccc1 13108531 BIOLJPLPUJUMME-UHFFFAOYSA-N 492.329 4.977 50 10 JJGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc(-c2ccccc2)cc1 13981601 DJBPGGSKQPSWMZ-UHFFFAOYSA-N 486.355 4.606 50 10 JJGE O=C(NNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1ccc([N+](=O)[O-])cc1 33809156 CPJQYBIGGKUTEQ-UHFFFAOYSA-N 489.491 4.947 50 10 JJGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1F 38652205 NAODPHNNMSUUEW-XMMPIXPASA-N 464.880 4.990 50 10 JJGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(=O)OC)cc2)c1 38683606 MJVYGEFJTPNGFO-RUZDIDTESA-N 484.508 4.699 50 10 JJGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1 39858555 UNJQWUHMPZHJAZ-JXAWBTAJSA-N 454.461 4.788 50 10 JJGE CCOc1ccc(N(C(=O)/C(C#N)=C/c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 40971389 OVIOOBLJQSFUDM-HEHNFIMWSA-N 476.554 4.731 50 10 JJGE COc1ccc([C@H](C(=O)NC2CCCCCC2)N(Cc2ccc(F)cc2)C(=O)CCl)cc1 97915021 HEDNHSSKELSKPH-XMMPIXPASA-N 460.977 4.982 50 10 JJGE CC(C)Oc1c(Cl)cc(/C=N\NC(=O)CSc2nc3ccccc3n2C)cc1Cl 169876387 LTJAYFDTIGGSNF-RMORIDSASA-N 451.379 4.910 50 10 JJGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OC)cc1 205641419 SIGBFZWIMBLFJN-LPVHOTHKSA-N 454.482 4.541 50 10 JJGE CCC(CC)(CCl)CNC(=O)c1cc(Br)ccc1I 230231276 UZWIBFWKJBURQA-UHFFFAOYSA-N 458.565 4.829 50 10 JJGE O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NN=Cc1cccc2ccccc12 252628527 SSFOSGIWLIYHRZ-UHFFFAOYSA-N 477.973 4.839 50 10 JJGE COc1cc(-c2nc3ccc(C(=O)NN)cc3[nH]2)ccc1OCc1c(Cl)cccc1Cl 256046117 CURQIRNSOPAKAJ-UHFFFAOYSA-N 457.317 4.728 50 10 JJGE COc1ccc(Br)cc1[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CI 382711042 YLBFHPMQBHJZOX-FZMZJTMJSA-N 496.183 4.843 50 10 JJGE Cc1cncc(CCOc2c(Br)cc(Br)cc2CBr)n1 403072302 WZASSQMEGPJKII-UHFFFAOYSA-N 464.983 4.826 50 10 JJGE C[C@H](Cl)[C@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 721508924 JFZHEBYEZBQFGE-TVQRCGJNSA-N 456.549 4.676 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c(-c2ccccc2)n1 727393412 AIKGRNFPAYTKPT-BKVHRCCISA-N 489.938 4.763 50 10 JJGE CCOc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)cc1 1084233432 RCOVBMMABDXUKH-UHFFFAOYSA-N 472.467 4.600 50 10 JJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1C(=O)O)C(C#N)=C(N)O2 1865704454 WIYDBRWNUFIBHO-GOSISDBHSA-N 455.301 4.658 50 10 JJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1 1865709471 VRMKURRRAWBAHX-MRXNPFEDSA-N 474.826 4.549 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865713383 XUZPFSIAMLNXSQ-MRXNPFEDSA-N 475.814 4.730 50 10 JJGE COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1OCc1ccc(C)cc1 1873795314 XDTMKCHLUFFIRY-MGZHSMRGSA-N 483.609 4.972 50 10 JJGE Cn1ncc(Br)c1[C@@H](Cl)c1sc(Cl)cc1I 1900920750 XTUKIXKFCQGEGL-SSDOTTSWSA-N 451.942 4.830 50 10 JJGE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1C1CC(=O)OC(=O)C1 1951604345 UECLFQCNGDXYAX-UHFFFAOYSA-N 463.122 4.506 50 10 JJGE C[C@@H]1C[C@H](CBr)CCN1C(=O)c1cc(Br)sc1Br 2052361673 WLVJHVPXCVWMLK-HTQZYQBOSA-N 460.029 4.909 50 10 JJGE CN(C(=O)c1ccc(Br)cc1Br)C1(CBr)CCCC1 2113807582 IMLMRDGWBYXXQK-UHFFFAOYSA-N 454.000 4.991 50 10 JJGE C[C@H](CCCCCCl)NC(=O)c1ccc(I)c(Br)c1 2117885518 KKINDXZRILIYIH-SNVBAGLBSA-N 458.565 4.971 50 10 JJGE O=S1(=O)C[C@@H]2CCC[C@@]2([C@H](Br)c2sc(Br)cc2Br)C1 2137238261 NDEWZFXGEYPFJP-UPZJHPNMSA-N 493.080 4.924 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CCC[C@H](CCBr)CC1 2149748419 OPXUHJITPTZMJJ-LLVKDONJSA-N 470.576 4.972 50 10 JJGE Cc1cc(CBr)ccc1S(=O)(=O)N1CC[C@@]1(C)CCOCc1ccccc1 2197754615 QCEWZXPHDMEBPJ-NRFANRHFSA-N 452.414 4.650 50 10 JJGE Cc1cc(Br)c([C@H](Br)[C@H]2[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1Br 2235604447 NRSCHAFGGGDQDI-NVVZYBJKSA-N 487.051 4.555 50 10 JJGE Cn1ncc(-n2c(CCl)nc3cc(Cl)c(Br)cc32)c1I 2280057320 OYOWFUQXHBHCBB-UHFFFAOYSA-N 485.938 4.518 50 10 JJGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCC(=O)O 2313571001 LBYVCCIJBCNTRY-UHFFFAOYSA-N 455.681 4.664 50 10 JJGE Cc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccccc2F)nc2c(C)cccn2c1=O 2314532768 LZPFWOGWJPTGKY-UHFFFAOYSA-N 454.461 4.788 50 10 JJGE CCCn1nc(Br)nc1C[C@H](Br)c1ccccc1Br 2353740991 XBTYJKACBYNRHP-NSHDSACASA-N 451.988 4.892 50 10 JJGE COc1cccc(/C=N\NC(=O)c2csc(-n3nc(-c4ccccc4)cc3C(F)(F)F)n2)c1 33434047 FFZHRDVEIDYISH-ZRGSRPPYSA-N 471.464 4.787 50 10 JJGE CCOCCCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cc2cccc(OC)c2o1 33515876 IJRGPMOAOYHQRG-HMMYKYKNSA-N 470.529 4.744 50 10 JJGE COc1cc(/C=C(\C#N)c2ccccc2)ccc1OC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O 40851134 PYGSGJLDVTXAQJ-MXGDOUBOSA-N 480.520 4.986 50 10 JJGE CN1CCN(C(=O)Oc2cc3c(c4ccccc24)[C@@H](CCl)CN3C(=O)OC(C)(C)C)CC1 87493312 VCJKRSZNKSZOSR-INIZCTEOSA-N 459.974 4.664 50 10 JJGE CCCCN(C(=O)CCl)[C@H](C(=O)NC1CCCCC1)c1ccc(OCCC)c(OC)c1 97914604 SLGFVJYPUOKNOI-QHCPKHFHSA-N 453.023 4.842 50 10 JJGE CCOC(=O)/C(C#N)=C1/S[C@@H](Cc2ccccc2C)C(=O)N1c1ccc(Br)cc1 102974651 NEONALXJMRCECY-PMIVHWTLSA-N 471.376 4.747 50 10 JJGE O=C(NCC1CCC(Br)CC1)c1cc(Br)cc(Br)c1 227785250 HXJGWGBMXZTYSX-UHFFFAOYSA-N 454.000 4.895 50 10 JJGE CCC(CC)[C@H](Br)CNC(=O)c1ccc(I)c(Cl)c1 230657743 VNUSKMSMIKOFMF-LLVKDONJSA-N 458.565 4.874 50 10 JJGE CC(C)(C)[C@@H](CCCl)NC(=O)c1cc(I)ccc1Br 231141358 QJIPPKOGRNSHSD-GFCCVEGCSA-N 458.565 4.827 50 10 JJGE Cc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1-c1ccc(F)cc1 254289751 DAUOHEUWRARHRH-UHFFFAOYSA-N 466.516 4.852 50 10 JJGE CCOc1ccc2ccccc2c1C=NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 254701565 QJVCQIPIPBBRHU-UHFFFAOYSA-N 482.565 4.827 50 10 JJGE COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)c1Cl 382696088 BAURDLOCJVQSBT-WCQYABFASA-N 451.732 4.734 50 10 JJGE CC1(C)C[C@@H](Cl)C[C@H](NC(=O)c2cc(I)ccc2Br)C1 693872453 AUKXOIZNKMAOBI-ONGXEEELSA-N 470.576 4.970 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3F)cc2)cc1 725390152 SMQZISYDEULJEU-RUZDIDTESA-N 450.510 4.767 50 10 JJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1cccc(O)c1 1083904658 QXLGSIZSKMNAGD-UHFFFAOYSA-N 478.140 4.600 50 10 JJGE O=C(NCc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 1084267677 YHVFUWYFMXTRGY-UHFFFAOYSA-N 450.709 4.673 50 10 JJGE COc1ccccc1C(=O)NCC(=NNC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 1088650678 UQWURXSTUYDDFU-UHFFFAOYSA-N 486.450 4.550 50 10 JJGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684590 SNPICMZAHFHMGR-IBGZPJMESA-N 453.315 4.614 50 10 JJGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865692824 JICRVTNXMZXQRR-JOCHJYFZSA-N 462.525 4.648 50 10 JJGE CCc1nn(C)c2c1[C@@H](c1ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865705606 ZYCDYNQLBKWVPJ-FQEVSTJZSA-N 499.354 4.735 50 10 JJGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705686 BZLQPEOSUJLSCM-IBGZPJMESA-N 474.279 4.812 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865708603 YWZLGFKAZWHLJT-QHCPKHFHSA-N 452.489 4.964 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1ccc(Br)cc1 1865714295 GQCZENPGTHXUCC-MRXNPFEDSA-N 475.268 4.931 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1OC 1872745637 WTKZHWTZBANOGN-CYVLTUHYSA-N 454.420 4.594 50 10 JJGE CC(C)CN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)cc2C1=O 1872747230 SZYTXKFSOVWMMM-VZCXRCSSSA-N 474.498 4.920 50 10 JJGE CC(C)([C@@H](Br)c1sc(Br)cc1Br)S(C)(=O)=O 1922928995 FAOFIVLJGZDJEY-QMMMGPOBSA-N 455.031 4.532 50 10 JJGE C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1985346567 DVLGAKKUEZHAPI-IAGOWNOFSA-N 463.710 4.518 50 10 JJGE C[C@@H](CCl)CS(=O)(=O)Nc1cc(Br)c(Br)c(Br)c1 2034340514 YKUCMXOAMMTUCC-LURJTMIESA-N 484.435 4.591 50 10 JJGE O=C(NC[C@@H]1CCCC[C@@H]1Br)c1cccc(Br)c1Br 2092339670 GYWWTLNBRHWVCY-ONGXEEELSA-N 454.000 4.895 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NC[C@@H](CBr)C(C)(C)C)C1(C)C 2106788409 PKKSACBCBPNMSL-FBUUVDBFSA-N 453.487 4.835 50 10 JJGE C[C@H]1CC[C@@H](CCl)N(C(=O)c2ccc(I)c(Br)c2)C1 2110600549 VAOJMGSRWJNYEY-ONGXEEELSA-N 456.549 4.533 50 10 JJGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C(=O)[C@@H](Br)C1CCCC1 2110715339 MLALJZAXPFKMPY-HBMCJLEFSA-N 465.432 4.978 50 10 JJGE BrCc1cc(Br)ccc1N1CC[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2129050176 CGBUEWDOMIMDSA-NHCUHLMSSA-N 480.244 4.824 50 10 JJGE Cn1nc([C@H](Br)c2cc(Br)c3c(c2)CCCO3)cc1Br 2150477888 CSYJBOIUUWFUJM-CYBMUJFWSA-N 464.983 4.754 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1[C@H](CCl)C[C@@H]2CCC[C@@H]21 2164649897 XCRAOLVVELCOSP-CHIMOYNISA-N 468.560 4.676 50 10 JJGE CC(C)(C)OC(=O)Nc1ccc([S@](C)(=O)=NC(=O)[C@@H](Br)C2CCCC2)cc1 2167034373 WONXZBWLQIQNPB-OQRWROFFSA-N 459.406 4.971 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@@H]2CCCC(F)(F)C2)C1 2216581632 JEXSOTYCDKEFMK-CJNGLKHVSA-N 459.315 4.786 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CI)O[C@H]1CCC[C@H](C(F)(F)F)C1 2217091604 USWXSVMRQQJRTR-HUBLWGQQSA-N 465.294 4.843 50 10 JJGE C[C@@H]1C[C@H](Br)[C@@H](C)N(C(=O)c2ccc(I)c(Cl)c2)C1 2227594759 OIXYWSBZEAAHRE-KKZNHRDASA-N 456.549 4.579 50 10 JJGE Cc1ccc(I)c(C(=O)NC2(CBr)CCCCCC2)c1 2240925422 YDPZFIVHGVYVTP-UHFFFAOYSA-N 450.158 4.817 50 10 JJGE C[C@H](Br)CN(C(=O)c1cccc(Br)c1Br)C1CCC1 2272455302 XJAVJGYCZARRIJ-VIFPVBQESA-N 454.000 4.990 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1CCC[C@H]1CCBr 2295314505 YVKSQQNGBXPLPF-SMDDNHRTSA-N 468.027 4.824 50 10 JJGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc2ccccc2s1 2314486751 CCYHXCOFPGIHKC-UHFFFAOYSA-N 463.500 4.743 50 10 JJGE O=S1(=O)C[C@H]2C([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)[C@@H]2C1 2314503289 QWXFHYLQYKBBQD-GPMSIDNRSA-N 486.225 4.755 50 10 JJGE CCCO[C@@H]1[C@H](Br)C[C@H]1Oc1cc(Br)cc(I)c1 2316756875 IHLZUZFQWJGUKI-JHJVBQTASA-N 489.973 4.764 50 10 JJGE Clc1ccc(I)cc1CN1C[C@H]2[C@@H](Br)CCC[C@H]2C1 2352422694 YCTPCTREHZEYJF-GDLCADMTSA-N 454.577 4.940 50 10 JJGE N#CC1=C(S)N[C@](O)(c2ccccc2)[C@@H]([n+]2cccc3cc(Cl)ccc32)[C@H]1c1cccnc1 21946898 AUDZBCDXIBAZOK-GNKBHMEESA-O 471.993 4.614 50 10 JJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1 38658007 RCGLSODMYUUHGG-RUZDIDTESA-N 454.482 4.697 50 10 JJGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2 40823902 ODQKDEJAWKCCMD-OVVQPSECSA-N 499.340 4.717 50 10 JJGE C[C@@H](NC(=O)/C(C#N)=C1/N=C(NC(=O)c2cccc(Br)c2)c2ccccc21)c1ccccc1 102985031 DUBMQUWLICNPTH-PXFSWQRTSA-N 499.368 4.751 50 10 JJGE N#C/C(=C/Nc1ccc(I)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 216887899 DGIOPLQGVREEJL-MNDPQUGUSA-N 471.342 4.592 50 10 JJGE Cn1c(SCC(=O)NN=Cc2sc(N3CCCCC3)nc2-c2cccs2)nc2ccccc21 254307221 LIYASCHOLJPADJ-UHFFFAOYSA-N 496.687 4.991 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(CC)cc3)cc2)cc1 254839995 SZEBKTPBDNHTOZ-UHFFFAOYSA-N 460.530 4.786 50 10 JJGE O=C(NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)/C(=C/c1cccs1)NC(=O)c1ccccc1 254875222 RLDHZZYAHRNGAF-DPSNYCDMSA-N 486.509 4.838 50 10 JJGE O=C(N[C@H](CCCl)C1CCCC1)c1ccc(I)c(Br)c1 725043778 SNWXIGZIVYIIAR-CQSZACIVSA-N 470.576 4.971 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)NCc2cccc(Cn3cccn3)c2)c(-c2ccc(Cl)cc2)n1 918676935 DSXXYWVFQASTQB-HAHDFKILSA-N 495.974 4.585 50 10 JJGE O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1ccc(OCc2ccc(Br)cc2)cc1 1081086741 COJJGRGMPJIORE-UHFFFAOYSA-N 454.280 4.700 50 10 JJGE COc1cc(C=NNC(=O)c2ccc3ccccc3c2OC)ccc1OCc1ccc(C(=O)O)cc1 1084030089 JRFANNKGMICLCP-UHFFFAOYSA-N 484.508 4.898 50 10 JJGE COc1ccc(Br)cc1C(=O)NN=Cc1cccn1-c1ccc(Br)cc1 1084485890 UGYQDKZESJHFIB-UHFFFAOYSA-N 477.156 4.775 50 10 JJGE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCSSC 1568952753 KJDSKHSUJMQBFJ-QFIPXVFZSA-N 456.633 4.987 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C1 1614617224 UPIMHWORHJVYGG-HZPDHXFCSA-N 453.720 4.995 50 10 JJGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744016 PNOHYAJMRXZZHW-UHFFFAOYSA-N 490.991 4.674 50 10 JJGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccc(F)cc3F)c(C)c21 1772746144 QPEORNNAQINKFX-UHFFFAOYSA-N 453.445 4.598 50 10 JJGE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702604 XQVPLNMEROJXKH-LJQANCHMSA-N 453.315 4.863 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706541 YZXPFKORHZMBRE-QHCPKHFHSA-N 479.496 4.733 50 10 JJGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc(OC)c1OC 1872750544 GTAVOTMUZJWKSA-QNGOZBTKSA-N 452.488 4.557 50 10 JJGE COC(CBr)(CBr)Cc1ccc(I)c(Cl)c1 1995480112 WKNYRXIVSIDGMP-UHFFFAOYSA-N 482.381 4.662 50 10 JJGE O=C(CBr)c1cc(Br)c(C(F)(F)F)c(I)c1 2054865589 BBYSTWOPKIXHIC-UHFFFAOYSA-N 471.836 4.650 50 10 JJGE FC(F)(F)Oc1cc(I)c(CCl)cc1I 2060232361 ZSRNXRRMJWSFFA-UHFFFAOYSA-N 462.374 4.533 50 10 JJGE C[C@@H](Br)[C@H]1CCCN(C(=O)c2c(Br)cccc2Br)C1 2094096566 ZABHEHYYTXBIEV-ZJUUUORDSA-N 454.000 4.847 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CCC([C@@H](F)CBr)CC1 2106952387 LLMDEIVONKIRRA-VIFPVBQESA-N 478.019 4.858 50 10 JJGE Clc1cc(CN2C[C@H]3CCC[C@@]3(CBr)C2)ccc1I 2142943208 KKAMIARHHITYQV-IUODEOHRSA-N 454.577 4.942 50 10 JJGE Cc1cc(C(=O)N[C@]2(CBr)CCC[C@@H](C)C2)ccc1I 2207107614 RPYBEGZCFWBAAW-BDJLRTHQSA-N 450.158 4.673 50 10 JJGE O=C(NC[C@]12CCC[C@]1(CBr)C2)c1cc(Cl)ccc1I 2208040315 RBUFXUIZLMRFRU-HUUCEWRRSA-N 468.560 4.630 50 10 JJGE C[C@H]1[C@@H](Br)C[C@@H](C)CN1C(=O)c1cc(Br)sc1Br 2220342548 AKHQJZOYFIUGKD-FJXKBIBVSA-N 460.029 4.907 50 10 JJGE O=C(c1csc(I)c1)N1CCC(CCCCBr)CC1 2267921654 DPJTWPJPXSDJDP-UHFFFAOYSA-N 456.187 4.770 50 10 JJGE COc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3F)cc2)cc1 2297551565 RULHJUBQZXHXRV-UHFFFAOYSA-N 461.405 4.507 50 10 JJGE CCN(CC(C)(C)CI)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2306814762 FNCCBSMVRIMSGM-XYPWUTKMSA-N 450.405 4.700 50 10 JJGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)N1CCN(c2ccccc2)CC1 2313565345 UXASKCPTRLHEFC-UHFFFAOYSA-N 462.893 4.764 50 10 JJGE CC(C)[C@H](C(O)=C(C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1C(=O)c2ccccc2C1=O 2331232909 XSDSTGJZXCSLEG-HXUWFJFHSA-N 474.498 4.832 50 10 JJGE O=C(CCS(=O)(=O)c1ccc(Cl)cc1)NNc1nc2c(Cl)ccc(Cl)c2s1 10045970 FQFZQLVCOHKUSS-UHFFFAOYSA-N 464.783 4.564 50 10 JJGE CC[C@@H](C)Oc1cccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)c1 10662887 KZUQXSFLMFRNDY-OAHLLOKOSA-N 463.372 4.590 50 10 JJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 12500704 DMMIMJBCGZXECK-CQSZACIVSA-N 488.396 4.763 50 10 JJGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)COc1ccc2ccccc2c1Br 13980321 GZEJGKPSTDBODE-MRXNPFEDSA-N 485.378 4.721 50 10 JJGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCC)c(OCC)c2)c(OC)c1 33378391 CFUHTGXWVDQMJY-PSIVNPAISA-N 465.502 4.581 50 10 JJGE Cc1cc(C)c(NC(=O)COC(=O)/C(C#N)=C\c2c(C)nn(-c3ccccc3)c2C)c(Cl)c1 33497368 YZCJKMGDXAQNIN-UNOMPAQXSA-N 462.937 4.848 50 10 JJGE C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1cc(Br)cc(Br)c1O 59147505 RXWWELOSZCMJSU-GXBAXFRPSA-N 472.202 4.689 50 10 JJGE O=C(CCCCl)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 90500721 MIPBNBQWYKSGGQ-UHFFFAOYSA-N 456.951 4.676 50 10 JJGE COc1ccc([C@@H](C(=O)NC2CCCCCC2)N(Cc2ccccc2)C(=O)CCl)cc1OC 97914928 UZOIKDWPJAZLQW-VWLOTQADSA-N 473.013 4.852 50 10 JJGE Cc1cccc(Cn2cccc(C(=O)N/N=C\c3ccccc3OCc3ccccc3)c2=O)c1 169918164 RZVONGZZEIEHTJ-MIXAMLLLSA-N 451.526 4.548 50 10 JJGE CN(C(=O)c1cc(I)ccc1Br)[C@H]1CCCC[C@@H]1Cl 234296451 JMTWWVKBTNGYBW-STQMWFEESA-N 456.549 4.676 50 10 JJGE CN(C(=O)c1ccc(Br)cc1Br)[C@H]1CCCC[C@@H]1Br 234329490 JZEMKCJZZPEWFU-AAEUAGOBSA-N 454.000 4.990 50 10 JJGE CC(=NNC(=O)c1csc2c1CCCC2)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 252592766 BGWWWZGMHMCXBT-UHFFFAOYSA-N 461.543 4.762 50 10 JJGE COc1cccc(C(=O)NN=Cc2c(OC(=O)c3ccc(OC)c(OC)c3)ccc3ccccc23)c1 254383322 DXQGXSFAZKTFEQ-UHFFFAOYSA-N 484.508 4.849 50 10 JJGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C)s3)nnc2-c2ccc(C)cc2)cc1 254735887 BRMLYNJUJXMESG-UHFFFAOYSA-N 477.615 4.864 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CCC[C@H](CBr)CC1 378765721 YDBTYXBWUODFKF-QMMMGPOBSA-N 460.029 4.910 50 10 JJGE Cc1cccc(C(=O)N2CCC[C@@H](C)[C@H]2CCBr)c1I 697200074 KHSLTCNDMUPUON-BXUZGUMPSA-N 450.158 4.625 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H](Br)C1)c1scc(Br)c1Br 705405229 HRIOHYMZWNRWDX-HTQZYQBOSA-N 460.029 4.957 50 10 JJGE Fc1cc2c(cc1I)nc(CCCl)n2C[C@H]1CCN1Cc1ccccc1 716224740 BDSKVJMBUOWWKG-OAHLLOKOSA-N 483.756 4.836 50 10 JJGE C[C@@H]1[C@H](Cl)C[C@H]2CC[C@H]1N2C(=O)c1ccc(I)c(Br)c1 721596121 ZVUBOALWLPGVTK-ZJIMWXPPSA-N 468.560 4.674 50 10 JJGE C[C@H](CBr)CCCNC(=O)c1ccc(I)c(Br)c1 721616357 UCGRHFOTDAVEAL-VIFPVBQESA-N 488.989 4.595 50 10 JJGE COc1ccc(OC)c([C@@H](Br)c2cccc(F)c2I)c1 721697623 LTBLYPWPFUFACJ-AWEZNQCLSA-N 451.073 4.932 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)OCc2ccccc2Br)c(-c2ccccc2)n1 761414659 IBDBOGUUCMJMHU-UYRXBGFRSA-N 461.319 4.877 50 10 JJGE Cc1cccc(C)c1NC(=O)CN(C)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C 857995316 CHKKBVXLPBEFOI-HYARGMPZSA-N 458.537 4.854 50 10 JJGE C[C@@H]1CCCN(Cc2ccc(CNC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)cc2)C1 918573835 CXNVTAFVPLMBLE-RQFMOZSRSA-N 492.627 4.919 50 10 JJGE COc1cc(C=NNC(=O)c2cc(F)c(F)cc2Cl)ccc1OCc1ccc(C(=O)O)cc1 1083894872 XNCYNTOILUDKCR-UHFFFAOYSA-N 474.847 4.668 50 10 JJGE C#C[C@@H](NC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(Cl)cc1 1470658805 MPOGUYWFOCGNNH-JOCHJYFZSA-N 454.917 4.874 50 10 JJGE CC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)c3ccc(Br)s3)cc2)cc1 1624166858 DKNGWGFMHYJFFG-UHFFFAOYSA-N 459.321 4.580 50 10 JJGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772745130 RKHKKZJROPZDRB-OAHLLOKOSA-N 475.520 4.885 50 10 JJGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(OCC)c1)C(C#N)=C(N)O2 1865681856 YQMAIHHDGSXYHW-JOCHJYFZSA-N 464.953 4.860 50 10 JJGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cccc(F)c1 1865692234 DHZMDWZRZAZBPL-GOSISDBHSA-N 488.441 4.715 50 10 JJGE CCC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(SC#N)cc1 1866876682 IZRNCWPFDACXMO-RTWAWAEBSA-N 481.647 4.522 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H](CBr)C2(CCC2)C1 1914494805 XJUMKWWJUFSEMJ-NSHDSACASA-N 468.560 4.582 50 10 JJGE FC(F)(F)Oc1c(I)cc(I)cc1CCl 2060236267 SLVSGLAIFUUCDT-UHFFFAOYSA-N 462.374 4.533 50 10 JJGE O=C(c1scc(Br)c1Br)N1CC[C@@H](CBr)C12CC2 2070108348 WGHKJKOPFHHOKI-ZETCQYMHSA-N 458.013 4.663 50 10 JJGE CC[C@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@H]1CBr 2084898248 JERDWWNUBUIGPO-JGVFFNPUSA-N 460.029 4.766 50 10 JJGE CCn1ncc(Br)c1COc1cccc(Br)c1CBr 2094303722 YIHXJPLZGMFGDZ-UHFFFAOYSA-N 452.972 4.902 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1[C@H]2CC[C@@H](C2)[C@@H]1CBr 2122171974 KFNGJYOLLVRBCM-FWDPORAESA-N 451.984 4.600 50 10 JJGE CC(C)[C@H]1[C@@H](Cl)CCN1C(=O)c1cc(I)ccc1Br 2126095927 UTZGNQCVBJMKNQ-STQMWFEESA-N 456.549 4.532 50 10 JJGE O=C(N[C@@H]1CC[C@@H]2C[C@]21CBr)c1cc(Br)ccc1Br 2132114911 HBGKQBNDRJQMAG-RGZBUGHASA-N 451.984 4.505 50 10 JJGE CC1(C)CC[C@H](CCl)N1C(=O)c1ccc(Br)cc1I 2142281502 RAHYIMJODDKZNQ-SNVBAGLBSA-N 456.549 4.676 50 10 JJGE CC1(C)[C@@H](Cl)CCCN1C(=O)c1ccc(Br)cc1I 2142284113 YJUAYXSJMNTKAV-LBPRGKRZSA-N 456.549 4.676 50 10 JJGE C[C@H](NC(=O)c1ccc(Br)cc1I)[C@H]1CCC[C@@H]1Cl 2142289100 XDIFWIWIEQBZLY-XRNSZHNASA-N 456.549 4.580 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2150493574 BLTONQWRXOLXBV-NRUUGDAUSA-N 466.011 4.990 50 10 JJGE CC1(C)C[C@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(CBr)cc2Cl)CO1 2179792012 ZRSPNINTYUHUDD-KRWDZBQOSA-N 472.832 4.993 50 10 JJGE CC(C)(C)[C@@H]1[C@@H](Cl)CCN1C(=O)c1ccc(Br)cc1I 2207263064 VOXWZRFTXSNUBJ-AAEUAGOBSA-N 470.576 4.922 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC1[C@H]2CCC[C@H]1CC(NC(=O)OC(C)(C)C)C2 2257977270 NFWULPTYTLSKAJ-YXWAVELNSA-N 489.748 4.954 50 10 JJGE C=CC[C@@]1(CCl)CCCN1C(=O)c1cc(Br)ccc1I 2287746342 YCYCDHNTFRMNDL-HNNXBMFYSA-N 468.560 4.843 50 10 JJGE C=CCc1cc(C=C(C#N)C(=O)NC[C@H]2CCCO2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 2294143932 VKHBRBWEMZWYMB-XMMPIXPASA-N 491.544 4.503 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@@H]2CC[C@H]1C[C@H]2NC(=O)OC(C)(C)C 2298493622 QEZNCDTZSOBAAF-WNRNVDISSA-N 475.721 4.564 50 10 JJGE C[C@H]1C[C@H]1N(CCBr)Cc1ccc(I)c(Br)c1 2306227207 KEOGDLHMXFDUGO-TVQRCGJNSA-N 472.990 4.659 50 10 JJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)c1 2314634564 IQJJADSFNKUWTQ-SANMLTNESA-N 454.482 4.541 50 10 JJGE CCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)cc1 2314754543 VEYMNSMCYYCSGK-UHFFFAOYSA-N 456.498 4.911 50 10 JJGE COc1cc(C=NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccc(C)cc1 2321721588 PLCYADKQOHQPHI-JOCHJYFZSA-N 481.593 4.680 50 10 JJGE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1CCCN(C[C@@]2(CBr)CC2(F)F)C1 2379984796 DFTUDVPWLABUHN-FCEWJHQRSA-N 451.396 4.908 50 10 JJGE COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)c1OCc1cccc(C)c1 32520667 JZCSQZKDJBKSPK-VULFUBBASA-N 460.559 4.701 50 10 JJGE CCOC(=O)c1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3nc(O)c4ccccc4n3)cc2)cc1 34988291 BUJCCIMUZFRXIE-HMMYKYKNSA-N 494.507 4.594 50 10 JJGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Nc1ccc(Cl)c(Cl)c1 40704185 OQUCRWUQWMQXLS-UHFFFAOYSA-N 468.142 4.629 50 10 JJGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)N4c5ccccc5C[C@H]4C)c(C)c32)cc1 40813819 VAMHSLYOLXHZGO-PNUGVWHFSA-N 457.530 4.658 50 10 JJGE N#Cc1ccccc1COc1ccc(Br)cc1/C=N\NC(=O)CC[C@H](O)c1ccccc1 58892510 KUPSRWHTGRHCDI-PVEGLGLCSA-N 492.373 4.864 50 10 JJGE CC(C)(C)c1cc(/C=N/NC(=O)CSCC(=O)Nc2ccccc2)cc(C(C)(C)C)c1O 59167376 YSXZSVCMANNJLV-VULFUBBASA-N 455.624 4.809 50 10 JJGE COc1ccc([C@@H](C(=O)NC2CCCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)CCl)cc1 97915014 IBMQVECVHQHBCS-VWLOTQADSA-N 486.996 4.572 50 10 JJGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2cc(C)ccc2C)c(OCC)c1 98027894 DSFSTGWKGUOLEE-QNGOZBTKSA-N 451.519 4.937 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(Br)c1OC(C)C 98063420 SZKNNQMJOBSWCS-ZSOIEALJSA-N 460.284 4.699 50 10 JJGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)NC)cc1 101240655 DTHRKBLRQJWYPD-OSEFQUDUSA-N 476.385 4.564 50 10 JJGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)N1CCCc2ccccc21 216667348 LNVXHKLZPNIGFB-VYIQYICTSA-N 462.597 4.780 50 10 JJGE N#C/C(=C/NC1CCN(Cc2ccccc2)CC1)C(=O)NC(c1ccccc1)c1ccccc1 216979559 YFHIQJYNNJFQMO-QLYXXIJNSA-N 450.586 4.554 50 10 JJGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccccn2)cc1 252600456 DRJZWCZZAQYSFB-JNJUDCSLSA-N 475.980 4.502 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CCC[C@@H](CBr)CC1 378782800 OLHONVIHJJCIHF-SNVBAGLBSA-N 454.000 4.849 50 10 JJGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N(C)CCCOCc1ccccc1 383979157 GLWYDXAQVBAROQ-UHFFFAOYSA-N 460.821 4.724 50 10 JJGE FC(F)(F)CN(CCBr)Cc1cc(Cl)ccc1I 405322223 ZXPVZESOLLQRKU-UHFFFAOYSA-N 456.471 4.704 50 10 JJGE C[C@H]1CCCN(C(=O)c2cc(Cl)ccc2I)[C@@H]1CBr 708478648 XGOJRXUGZQITPI-TVQRCGJNSA-N 456.549 4.580 50 10 JJGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1c[nH]c2ccccc12 1084144096 YOFRBHOHSRZAOA-UHFFFAOYSA-N 465.145 4.530 50 10 JJGE C=CCc1cc(C(=O)NNc2cc(C(F)(F)F)ccc2Br)cc(OC)c1OC 1299433224 RLEIRSNCDAKZRT-UHFFFAOYSA-N 459.262 4.971 50 10 JJGE O=[N+]([O-])c1cc(Br)cc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CBr)c1 1614643332 UQSQXLUZJSOCSL-YJBOKZPZSA-N 454.162 4.968 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc(C)cc2Br)ccc1OCc1ccccc1 1772754053 BGUUJCSLFKVUHA-UHFFFAOYSA-N 483.362 4.874 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1ccncc1 1865700419 SMWGQAATWIBOEK-HXUWFJFHSA-N 470.330 4.915 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc(Cl)c1O 1865707393 VZARUEAUJCSXAT-SFHVURJKSA-N 487.741 4.529 50 10 JJGE C[C@H]1CC[C@@](CBr)(NC(=O)c2cc(Br)ccc2Br)C1 1880940104 TZJMYCPGZXLCLC-LKFCYVNXSA-N 454.000 4.895 50 10 JJGE O=C(NC[C@H]1CC[C@H](CCl)CC1)c1ccc(I)c(Br)c1 1922696824 NOMJWJDFBUWATL-XYPYZODXSA-N 470.576 4.829 50 10 JJGE C[C@H]1C[C@@H](Br)CCN(C(=O)c2csc(Br)c2Br)C1 2041566362 JUBFYRIZICVDPP-YUMQZZPRSA-N 460.029 4.909 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CCC12CC(CBr)C2 2104561058 UIYUPBARROSPBA-UHFFFAOYSA-N 451.984 4.601 50 10 JJGE O=C(c1ccc(Br)cc1I)N(CCCl)C1CCCC1 2142285801 UZLUCYBFCYLQAE-UHFFFAOYSA-N 456.549 4.677 50 10 JJGE O=C(NC[C@]1(CBr)C[C@@H]1C(F)(F)F)c1scc(Br)c1Br 2192581510 KXDLTQDFNMXXPG-QUBYGPBYSA-N 499.972 4.966 50 10 JJGE CC(C)(CCl)[C@H]1CCCN1C(=O)c1ccc(Br)cc1I 2207267170 KCNQEXKEWWWSGT-CYBMUJFWSA-N 470.576 4.923 50 10 JJGE BrCCCOC1CCN(Cc2cccc(Br)c2Br)CC1 2207519765 PONVXZPLMTYWQS-UHFFFAOYSA-N 470.043 4.978 50 10 JJGE CC1(C)OCCN(Cc2c(Br)cccc2Br)[C@@H]1CBr 2267679076 FGNPLQZZWHNSCX-CYBMUJFWSA-N 456.016 4.586 50 10 JJGE CN(Cc1ccc(I)cc1)c1cc(CBr)sc1[N+](=O)[O-] 2280337849 ORCIXBZOYRRFJG-UHFFFAOYSA-N 467.126 4.792 50 10 JJGE CN(C(=O)c1c(F)cccc1I)[C@H]1CCCCC[C@@H]1Br 2282793572 BJQUIUXYQXHATB-GWCFXTLKSA-N 454.121 4.599 50 10 JJGE COc1ccc(C=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1ccc(F)cc1F 2295672689 RJHKIGOULCOZRJ-UHFFFAOYSA-N 478.451 4.869 50 10 JJGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(CCCC)cc2)C(=O)N1c1ccc(OC)cc1 2314592875 DBCIXBFQSLIBQN-DEOSSOPVSA-N 475.614 4.766 50 10 JJGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314592998 FONUKJKVKOKBKK-JOCHJYFZSA-N 493.972 4.684 50 10 JJGE O=C(c1cccc(Br)c1Br)N1[C@H]2CC[C@@H]1[C@@H](CBr)C2 2329071640 QDESYNMUFGDYQQ-VDDIYKPWSA-N 451.984 4.600 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2CCOc3ccc(F)cc32)C1 2364438747 SKBCNGZCVWEDNZ-FXAWDEMLSA-N 491.341 4.871 50 10 JJGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccc(C(C)(C)C)c(Br)c1 12492701 BMNSBOLEWHGOHF-UHFFFAOYSA-N 453.764 4.548 50 10 JJGE O=C(NNC(=O)c1cc(-c2ccccn2)nc2ccccc12)c1ccc(COc2ccc(F)cc2)o1 17400200 OVHDBCGBVZQURL-UHFFFAOYSA-N 482.471 4.683 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1OC 38659472 WRRBHLFYYCRKTL-DEOSSOPVSA-N 460.461 4.670 50 10 JJGE O=C(NNc1ncnc(Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-])c1ccccc1Cl 40588829 DOMDRKMSIBKKKH-UHFFFAOYSA-N 452.780 4.558 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)cc1 58894485 KCPJPZXHDZGTQU-MKFKGKHESA-N 491.588 4.552 50 10 JJGE COc1ccc([C@H](C(=O)NC2CCCCCC2)N(CCc2ccccc2)C(=O)CCl)cc1OC 97914927 RAPCNNNESMTUQJ-AREMUKBSSA-N 487.040 4.894 50 10 JJGE O=C(NC1CCCC1)[C@@H](c1ccc(F)cc1)N(CCc1ccc(Cl)cc1)C(=O)CCl 97915043 SKXXYBNNRMEIBZ-JOCHJYFZSA-N 451.369 4.889 50 10 JJGE CC(C)Oc1c(Br)cc(/C=N\NC(=O)Cc2ccccc2)cc1Br 169900989 HLEZLFXFPFHGHL-NHDPSOOVSA-N 454.162 4.692 50 10 JJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc([N+](=O)[O-])cc3)cc2OC)cc1 254791700 SWZLDRKAWKRLTH-UHFFFAOYSA-N 491.500 4.765 50 10 JJGE C[C@@H](CCCBr)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 384723181 OFEIYVOAJGWQFR-QMMMGPOBSA-N 468.038 4.845 50 10 JJGE C[C@]1(CBr)CCCN(c2ncc(C(F)(F)F)cc2I)C1 686107803 ASQAHDJZDSXBID-GFCCVEGCSA-N 463.079 4.706 50 10 JJGE Cc1cc(C(=O)NC2CCN(C(=O)/C(C#N)=C\c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)c(C)o1 727331351 HBHIFHGUHSPTEJ-JCMHNJIXSA-N 488.563 4.771 50 10 JJGE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C=NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 1084291040 AHSTVZRCZZEIFG-AWEZNQCLSA-N 476.320 4.622 50 10 JJGE Cc1cc(C)c(C=NNC(=O)COc2ccc(Br)cc2Br)c(C)c1 1084445539 UNFZILZOUBXMOU-UHFFFAOYSA-N 454.162 4.666 50 10 JJGE N#C/C(=C\c1cc(Br)c(O)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl 1084546608 GMERWSSKZCKSAV-RUDMXATFSA-N 457.067 4.915 50 10 JJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OC)c(O)c1)C(C#N)=C(N)O2 1865682398 NQLPYGUWJKWTRH-IBGZPJMESA-N 457.317 4.674 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865683947 RAXFPEQSXMLOIS-VWLOTQADSA-N 477.568 4.891 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc(OC)c1OC 1865691908 DTKWCPJQEZKMHE-DEOSSOPVSA-N 468.513 4.578 50 10 JJGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1ccc(Cl)cc1 1865694609 ZVJAUFJQXXTFGH-HXUWFJFHSA-N 450.926 4.714 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)ccc1OC(C)C 1865695696 GQDRSVCNYLRYGN-QFIPXVFZSA-N 450.926 4.848 50 10 JJGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865705804 GJVJDIIOAYVCSN-DEOSSOPVSA-N 480.524 4.789 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865711411 XWFSDGOOQSCMBP-QHCPKHFHSA-N 452.489 4.964 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc([N+](=O)[O-])cc1 1865713176 SVCRIPQUDIFQBO-INIZCTEOSA-N 493.804 4.869 50 10 JJGE COc1cccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)COc4ccc(Cl)cc43)n2)c1 1872744172 IMTHFLNFERSGCA-MNDPQUGUSA-N 453.907 4.690 50 10 JJGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CC1CC(Br)C1 1888845508 KVQFNJOMPZWUMW-OCJFHSIUSA-N 485.422 4.936 50 10 JJGE CN(CCCCI)Cc1c(Br)cccc1Br 1901815806 OJLCHBLNCMAVQR-UHFFFAOYSA-N 460.979 4.859 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 2010825108 FYCSGDBTEOPMFM-KURKYZTESA-N 475.721 4.660 50 10 JJGE C[C@H]1CCN(C(=O)c2csc(Br)c2Br)C[C@H]1CBr 2032955815 FQBOBWICXIPMKC-JGVFFNPUSA-N 460.029 4.766 50 10 JJGE O=C(NC[C@H](CBr)C(F)(F)F)c1cc(Br)sc1Br 2043324336 RLBVUFAQZZERGX-BYPYZUCNSA-N 473.934 4.576 50 10 JJGE BrC[C@@H]1C[C@@H]2CC[C@H](C1)N2c1ncc(I)cc1Br 2069532399 UYYUUSTYRVVTNK-GUDFOSOFSA-N 485.989 4.591 50 10 JJGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccn1 2123230250 PHYQRGLKUOENED-OAHLLOKOSA-N 451.411 4.990 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1cc(Br)c(Br)s1 2139708995 SCPCAHLBBMVVHE-GHCJXIJMSA-N 472.040 4.955 50 10 JJGE CC1(C)[C@H](Br)CC[C@H]1NC(=O)c1cccc(Br)c1Br 2142125282 DOOYWSNGDKAHEM-GHMZBOCLSA-N 454.000 4.894 50 10 JJGE CSCC[C@H](Cl)CCNC(=O)c1ccc(Br)cc1I 2142279166 MSYZLSXQLXUJIJ-SNVBAGLBSA-N 476.605 4.534 50 10 JJGE CC1(C)CCN(C(=O)c2cc(Br)ccc2I)C[C@H]1CCl 2148666093 MBTFKDXXBIQFKW-SNVBAGLBSA-N 470.576 4.781 50 10 JJGE O=S(=O)(N[C@@H](CCl)c1cccs1)c1cc(Br)ccc1Br 2175669778 XNBNVBJHMUUNSJ-JTQLQIEISA-N 459.612 4.532 50 10 JJGE Cc1c(Br)sc([C@H](Br)[C@H]2C[C@H](S(C)(=O)=O)C2)c1Br 2257535725 UPAKHUGAYJBEDZ-ZXFLCMHBSA-N 481.069 4.841 50 10 JJGE COc1ccc([C@H](C)NC(=O)C(C#N)=CN(Cc2ccccc2)Cc2ccccc2)cc1OC 2325045325 WQQGSHRZBSEFTF-NRFANRHFSA-N 455.558 4.991 50 10 JJGE CC(C)CN1C[C@@H](Br)[C@H](Cc2ccc(Cl)c(I)c2)C1 2337219011 OPGFACWMUPSKKX-CHWSQXEVSA-N 456.593 4.838 50 10 JJGE CC(C)[C@@H](Br)C(C)(C)CNC(=O)c1c(F)cccc1I 2365866189 FTOQBUZGKLKETP-CYBMUJFWSA-N 456.137 4.606 50 10 JJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1OC 38681007 LQLSONDDQWCNLW-VWLOTQADSA-N 499.479 4.606 50 10 JJGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3F)nc3ccccn3c2=O)c1 39858722 OARCSMABSVAONV-JXAWBTAJSA-N 454.461 4.788 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cccc(C(C)C)c2)c(OC)c1 40989244 PBNLHKVUHKNDQM-FYJGNVAPSA-N 450.535 4.626 50 10 JJGE O=C(NC[C@H]1CCC[C@H](Br)C1)c1ccc(I)c(Cl)c1 227754413 RXZUMUXJPKHNLW-ONGXEEELSA-N 456.549 4.628 50 10 JJGE O=C(N[C@@H]1CCCC[C@@H]1CBr)c1cc(Cl)ccc1I 231614429 RBSHDNPGKIZMEB-NOZJJQNGSA-N 456.549 4.628 50 10 JJGE COc1ccc(C(=O)Oc2c(Cl)cc(C=NNC(=O)c3cccc(Cl)c3)cc2OC)cc1 252614710 JMKADEVLJWOOBL-UHFFFAOYSA-N 473.312 4.994 50 10 JJGE O=c1nc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)nc(O)[c-]1-c1ccccc1 1616048845 LZODYZFQFKWIIT-UHFFFAOYSA-N 462.469 4.738 50 10 JJGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=NNC(N)=O)CC(C)(C)C2 1772729372 YVDPKKUISYRGLG-UHFFFAOYSA-N 458.562 4.775 50 10 JJGE C[C@H](Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccccc1Cl 1858687105 HKSNXEDBNHLAIF-LBPRGKRZSA-N 474.832 4.799 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1 1865680414 JXOBPBLZSKOUPN-LJQANCHMSA-N 464.403 4.674 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)cc(Br)c1O 1865688125 KCDGJIOPEDJLSE-SFHVURJKSA-N 481.350 4.655 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)c(OC)c3)n2)c(OC)c1 1872755160 AXSPQZASGYXZEW-PGMHBOJBSA-N 454.504 4.803 50 10 JJGE CC1(C)CN(C(=O)c2c(Br)cccc2Br)C[C@@H]1CBr 1914484780 UNMTXIHLNGFPKK-VIFPVBQESA-N 454.000 4.705 50 10 JJGE C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)NCCSSCCNC(=O)OC(C)(C)C 1985347446 SDLBIBZVUXVWGE-SJORKVTESA-N 463.710 4.660 50 10 JJGE Brc1cc([C@@H](Br)[C@H]2CCn3ncnc3C2)c(Br)s1 2046630143 KZIWAUIEQUZKSO-WKEGUHRASA-N 456.001 4.563 50 10 JJGE O=C(NCC1(F)CC(CBr)C1)c1cc(Br)c(Br)s1 2049518969 AMGDXFVZLGJUMH-UHFFFAOYSA-N 463.992 4.516 50 10 JJGE CN(C(=O)c1ccc(I)c(Br)c1)C1(CCl)CCCC1 2113803334 BVJRVPYXGGVBLT-UHFFFAOYSA-N 456.549 4.677 50 10 JJGE C[C@]1(CCBr)CCN(C(=O)c2ccc(I)c(Cl)c2)C1 2131898139 CEKSSINUIZMZNS-AWEZNQCLSA-N 456.549 4.582 50 10 JJGE CC1(C)CC[C@@H](CBr)N1C(=O)c1c(Br)cccc1Br 2140845609 ITQKEJPQTFVRGO-VIFPVBQESA-N 454.000 4.990 50 10 JJGE O=C(c1cc(I)ccc1Br)N1C[C@@H](Cl)C2(CCCC2)C1 2174368540 MEJGFRYOCOSGSK-CYBMUJFWSA-N 468.560 4.677 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@]12CC[S@](=O)(=NCc1ccc(CBr)cc1)C2 2182855792 QZDFZWDNMRQLGW-CCLHPLFOSA-N 457.434 4.723 50 10 JJGE C[C@H](Br)[C@H]1CCCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2193587184 SXWLPRXXUDEIHE-WRWORJQWSA-N 466.022 4.692 50 10 JJGE COc1ccc(C(=O)N[C@@H](C)CCCCCI)c(Br)c1 2240880396 NZODRNAKTDFPBK-NSHDSACASA-N 454.146 4.571 50 10 JJGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 2294510749 CVMNPWFHPLDPFT-UHFFFAOYSA-N 485.452 4.536 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cccc(Cl)c1 2314754804 CKJOOLKJDQFPGZ-UHFFFAOYSA-N 480.904 4.539 50 10 JJGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)NCc1ccc(Cl)cc1 2324804167 SFFFQMFXUMIAOY-UHFFFAOYSA-N 471.004 4.771 50 10 JJGE CC(C)N1C[C@@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)C1 2325227245 YIIYLGDPHWDHAJ-WCQYABFASA-N 487.017 4.700 50 10 JJGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CNCCc1cccc(Br)c1 2325312991 ZZJQPSXPESAPOC-UHFFFAOYSA-N 470.367 4.584 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CCC2CC1(CBr)C2 2336444003 DGOINXMDUJCLFG-UHFFFAOYSA-N 451.984 4.601 50 10 JJGE C[C@H]1[C@H](Br)C[C@@H](C)CN1C(=O)c1ccc(Cl)cc1I 2340060302 ASRAOVGRKJUTHX-VDDIYKPWSA-N 456.549 4.579 50 10 JJGE C[C@H](c1ccncc1F)[C@H](Br)c1c(Br)c(Br)nn1C 2344693451 UKMJKIMTSGLYRA-MUWHJKNJSA-N 455.951 4.719 50 10 JJGE CC(C)CCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 14036684 HRSKQOSBGDUWDO-UHFFFAOYSA-N 477.399 4.837 50 10 JJGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812764 VTLATYFTMQCHRZ-VUTHCHCSSA-N 485.028 4.751 50 10 JJGE O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 58886856 GFOPQEQPRKVINB-QNDYCBLQSA-N 472.295 4.581 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 58893219 NFJNOXWWBXDJHL-ZABXAGCJSA-N 462.594 4.523 50 10 JJGE CC(=NNC(=O)c1cc(-c2ccccc2C)nc2ccccc12)c1ccc(NS(C)(=O)=O)cc1 254304137 UINWOWSGTOGSFO-UHFFFAOYSA-N 472.570 4.736 50 10 JJGE Cc1cc([C@@H](Br)c2cnn(C)c2I)c(C)cc1Br 394110222 OOBKYAJZXAYEBQ-GFCCVEGCSA-N 483.973 4.888 50 10 JJGE C[C@H]1C[C@@H](CBr)CN(C(=O)c2cc(Br)c(Br)s2)C1 398704516 UVRNIFCVMXHQLD-YUMQZZPRSA-N 460.029 4.766 50 10 JJGE CC(C)N(CCOCCBr)C(=O)c1scc(Br)c1Br 705417200 DILGMMBIQPWVFO-UHFFFAOYSA-N 478.044 4.535 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)c(-c2ccccc2)n1 920297060 GHQNIGWOHUGCIP-SRQLVETESA-N 465.557 4.655 50 10 JJGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1ccccc1 1084532407 CVKJBDOWHRROQZ-VWLOTQADSA-N 458.558 4.967 50 10 JJGE COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)NCCc3c[nH]c4ccccc34)o2)c(C)c1 1084536576 RVBSIMYRESNOHM-XSFVSMFZSA-N 453.498 4.789 50 10 JJGE Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)NNC(=O)c3ccc(Br)cc3)s2)cc1 1318350587 ISRUEGANZYIHLG-AWEZNQCLSA-N 473.396 4.895 50 10 JJGE CC[C@](C)(NC(=O)c1cc(C2CC2)n2nc(C3CC3)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867177460 KGXDLIPWHPDDCZ-VWLOTQADSA-N 474.590 4.594 50 10 JJGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4c[nH]c5ccccc45)cs3)cc2C1=O 1872753450 XOSRRLSRBFFHKC-NMWGTECJSA-N 484.537 4.874 50 10 JJGE CN(C[C@H]1C[C@H](Br)C1)C(=O)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 1893148311 MZLFSRFWQCDVBK-WGSAOQKQSA-N 453.421 4.836 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CC[C@@]2(CCC[C@@H]2Br)C1 1918934944 CHQKJVCCBMGHCW-ZFWWWQNUSA-N 468.560 4.724 50 10 JJGE CC(C)([C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)[S@](=O)CC1CC(Cl)C1 1991724579 XXEAFDZHSXUBLJ-FWKLEGGWSA-N 490.021 4.523 50 10 JJGE CC[C@@H](C)[C@@H](CI)NC(=O)c1cc(Br)c(Br)s1 2023038203 SRJZZYBZRPHMIJ-HTRCEHHLSA-N 495.018 4.853 50 10 JJGE O=C(c1csc(Br)c1Br)N1[C@H](CBr)[C@H]2CC[C@@H]1C2 2058369143 WUYXACYDWDQOMF-LKEWCRSYSA-N 458.013 4.661 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1[C@H]2CC[C@@H](C2)[C@@H]1CBr 2058373502 KMBHPGNSZZQFJW-ZKWXMUAHSA-N 458.013 4.661 50 10 JJGE COc1cccc(F)c1Cn1nc(CBr)c(I)c1C(F)(F)F 2079250887 LHBSKLNASRNSPM-UHFFFAOYSA-N 493.036 4.597 50 10 JJGE Cn1nc([C@@H](Br)c2c(Br)cc(F)c(F)c2F)cc1Br 2094079974 KOIXXQQGAVSAKU-SECBINFHSA-N 462.889 4.847 50 10 JJGE O=C(c1c(Br)cccc1Br)N(CCCBr)C1CCC1 2094087886 DZQZGYGBDGGNCH-UHFFFAOYSA-N 454.000 4.991 50 10 JJGE O=C(NC[C@@H](CBr)C1CCC1)c1c(Br)cccc1Br 2094091890 ZCCOJLXXQPJVSX-SNVBAGLBSA-N 454.000 4.753 50 10 JJGE Cn1ncc(C[C@@H](CBr)Cc2ccc(Br)cc2)c1Br 2116618308 YARLFFSLNNWQBX-NSHDSACASA-N 451.000 4.741 50 10 JJGE C[C@@H](Br)CCCc1cn(-c2ccc(Br)c(I)c2)nn1 2132764665 RQMGRBVHLLRYRO-SECBINFHSA-N 498.988 4.741 50 10 JJGE CCN(C(=O)c1c(Br)cccc1Br)[C@H]1CCC[C@H]1Br 2224422277 YDDHZQIXBKPTHV-SKDRFNHKSA-N 454.000 4.990 50 10 JJGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@H](Br)[C@H]1CC2 2229865073 JTGHEPAUVONKJH-XHVZSJERSA-N 498.984 4.584 50 10 JJGE BrC[C@]12CCCO[C@H]1CN(Cc1cccc(Br)c1Br)C2 2239163455 PUAAPLNFDOMGHX-ZFWWWQNUSA-N 468.027 4.588 50 10 JJGE C[C@@H]1C[C@H](C(F)(F)F)N(CC2(CBr)CC(F)C2)CCN1C(=O)OC(C)(C)C 2280360108 REMFIWYSWDDOFO-SMOJQAGNSA-N 461.338 4.762 50 10 JJGE Brc1ccccc1[C@H](CI)OC1(C2CCCC2)COC1 2288591376 VWHWNFKCIXIYJX-HNNXBMFYSA-N 451.142 4.901 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1[C@H]2CC[C@H](Br)[C@H]1CC2 2295315632 OCUKCNYUNHVLAU-MELADBBJSA-N 466.011 4.671 50 10 JJGE CC1(C)OC[C@@H](Cc2ccc(I)c(Br)c2)[C@H]1Br 2306216746 JLGNEAHMUZPZSU-BXKDBHETSA-N 473.974 4.785 50 10 JJGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1 2314735330 RAIXTCMHASXUDQ-UHFFFAOYSA-N 494.573 4.817 50 10 JJGE FC(F)(CBr)C(F)(F)CNc1ncc(Br)cc1Br 2314949081 HLPBWSMYHDEODE-UHFFFAOYSA-N 458.873 4.684 50 10 JJGE BrC[C@H]1[C@H]2CN(Cc3ccc(I)c(Br)c3)CC[C@H]21 2325208310 UYOREKLSZQRUKJ-TUAOUCFPSA-N 485.001 4.517 50 10 JJGE COc1cc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCc1cccc(Cl)c1 2328799136 BTIFZYQAYYQIKD-FQEVSTJZSA-N 487.984 4.777 50 10 JJGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccccc1OCc1ccccc1Cl 2328833159 OIVTUASVPZPNKJ-NRFANRHFSA-N 459.974 4.918 50 10 JJGE COc1cc(Br)c([C@@H](Br)[C@@H]2C[C@H]2Br)c(OC)c1OC 2332464785 WMSMUXRYSBMWJM-AMXGMDGSSA-N 458.972 4.694 50 10 JJGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 9231650 TYFFZURPTFBQPV-UHFFFAOYSA-N 497.389 4.992 50 10 JJGE CCCc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 40569394 JISHQFOXZHUAHL-YWZLYKJASA-N 460.361 4.505 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(Cl)cc1 40870039 PUDDIJPBKDYKRS-DEDYPNTBSA-N 476.916 4.556 50 10 JJGE C[C@@H](NC(=O)/C(C#N)=C1/N=C(NC(=O)c2ccc(Cl)cc2)c2ccccc21)c1ccccc1 102673744 GORSOGQLXBOOOA-PXFSWQRTSA-N 454.917 4.642 50 10 JJGE CC[C@@H](NC(=O)/C(C#N)=C\NC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc2c(c1)CCCC2 217193973 LUOOPKPMCBGESS-LGDCCPFISA-N 466.626 4.529 50 10 JJGE O=C(c1cc(Br)sc1Br)N(CCBr)CC(F)(F)F 236124456 IURKRAPWYMTXNQ-UHFFFAOYSA-N 473.934 4.673 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C(C)C)cc3)cc2OC)cc1 254758182 FURRSRAYLHHCJT-UHFFFAOYSA-N 490.556 4.966 50 10 JJGE N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c1 254814576 HMRFKVMCCUOXOY-UHFFFAOYSA-N 492.491 4.645 50 10 JJGE Cc1cc(CC(CBr)(CBr)c2cccc(Br)c2)nn1C 688128328 VDRLHLZOCPBFIY-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE C[C@@H]1CCN(C(=O)c2cc(Br)cc(Br)c2)C[C@H]1CBr 700431727 JQNURXUEBXEVRT-MWLCHTKSSA-N 454.000 4.705 50 10 JJGE O=C(NC1(CCBr)CCSCC1)c1cc(Br)cc(Br)c1 719666117 ODHGLECMKUPYNY-UHFFFAOYSA-N 486.067 4.992 50 10 JJGE CC[C@H](C[C@H](C)Br)NC(=O)c1ccc(I)c(Br)c1 721605943 ULUODFWYSVNDGP-WCBMZHEXSA-N 488.989 4.736 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc([N+](=O)[O-])cc3C)c2C)cc1 1084157534 LSYBTWCBMJBZLS-RUZDIDTESA-N 478.549 4.673 50 10 JJGE O=[N+]([O-])c1cc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)ccc1Cl 1614618403 YBDMHJGFDDGUGL-CVEARBPZSA-N 456.711 4.899 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681730 VFOJZGHHAHGENF-HSZRJFAPSA-N 468.488 4.670 50 10 JJGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865695492 DKEXADFLCNXBQX-FQEVSTJZSA-N 483.341 4.709 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865713325 WMLSHTRYQBFTOY-XMMPIXPASA-N 464.525 4.834 50 10 JJGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)CCc2ccco2)cc1 1866578343 JLYIUKLZFQHHSG-JOCHJYFZSA-N 465.600 4.842 50 10 JJGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@@H]1C[C@@H]1Br 1887726334 YUUKOTMLKPZOHO-FXQIFTODSA-N 457.512 4.863 50 10 JJGE CCc1nn(C)c(C(=O)N(Cc2ccccc2)C(C)(C)CBr)c1Br 2017377476 VBRHVOJBCMPTNC-UHFFFAOYSA-N 457.210 4.561 50 10 JJGE Br[C@@H](c1cc(I)cc2c1OCC2)[C@H]1C[C@H](Br)C1 2020157413 LJCYFADSUAZVBS-KBVBSXBZSA-N 471.958 4.836 50 10 JJGE ClCc1nc2cc(I)ccc2n1[C@]12C[C@@H]1CN(Cc1ccccc1)C2 2038347524 WREOZLOHYUDHDC-QRWLVFNGSA-N 463.750 4.611 50 10 JJGE FC(F)(F)Oc1ccc(I)c(I)c1CCl 2060230574 OOAPJAHCALAZFA-UHFFFAOYSA-N 462.374 4.533 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1[C@H](CNC(=O)OC(C)(C)C)CCC12CCC2 2061267773 ISYSAKYWPNHJQJ-ZWKOTPCHSA-N 489.748 4.956 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNCc1c(F)cc(Br)cc1F 2061268789 ZVYKTXJQHIKSMZ-UHFFFAOYSA-N 457.406 4.723 50 10 JJGE COc1ccc(Cn2nc(CCl)c(I)c2C(F)(F)F)c(C)c1C 2079210504 SOPBVPRYDVEAHR-UHFFFAOYSA-N 458.649 4.919 50 10 JJGE CC(C)C[C@H](CBr)NC(=O)c1ccc(Br)cc1I 2086147718 QNRISECTIMZSLO-SNVBAGLBSA-N 488.989 4.593 50 10 JJGE COC[C@@H](C)OC[C@@H](Br)CCc1cccc(Br)c1Br 2099444684 VCGPWPJQDKVCON-PWSUYJOCSA-N 459.016 4.959 50 10 JJGE ClC[C@H]1CN(c2ncc(I)cc2Br)CC12CCCC2 2133377591 ICOKELCMPCDQNG-JTQLQIEISA-N 455.565 4.684 50 10 JJGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CCS(=O)(=O)C2)c1Br 2136378111 BPOGPVOSQCQYRS-RNCFNFMXSA-N 475.040 4.699 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@H]2CCC[C@]2(CBr)C1 2159403692 DDUAMYXAVJTDFD-BMIGLBTASA-N 466.011 4.849 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2CCC[C@@]2(CCl)C1 2159408395 LDQCHKTZAINCNY-IAQYHMDHSA-N 468.560 4.535 50 10 JJGE O=C(N[C@@H](CBr)[C@@H]1CC=CCC1)c1ccc(I)c(Cl)c1 2196151793 QTNZNQRWVKBJSM-YGRLFVJLSA-N 468.560 4.794 50 10 JJGE O=C(N[C@H](CCl)[C@H]1CC=CCC1)c1cc(Br)ccc1I 2196159358 GHRZULWJUAPQTJ-IINYFYTJSA-N 468.560 4.747 50 10 JJGE Cc1ccc(C(=O)NCC2(CBr)CC(C)(C)C2)cc1I 2232827411 PDMVYFQLQZFEEH-UHFFFAOYSA-N 450.158 4.531 50 10 JJGE CN(C(=O)OC(C)(C)C)C1CCC2(CCCN2CCCCI)CC1 2248250362 WEECSEAAWMTQRH-UHFFFAOYSA-N 450.405 4.846 50 10 JJGE CN(C(=O)c1ccc(Cl)c(I)c1)C1CCC(CBr)CC1 2283654740 FAVIRKAQIQLSHE-UHFFFAOYSA-N 470.576 4.970 50 10 JJGE CC1(C)CN(C(=O)c2ccc(Cl)c(I)c2)C[C@@H]1CCBr 2283661396 GKVBTPBNNPHDIR-NSHDSACASA-N 470.576 4.828 50 10 JJGE N#CC(=CNc1ccc2c(c1)OCO2)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2296799010 LLTXEOWLGKYWFK-UHFFFAOYSA-N 460.427 4.530 50 10 JJGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)OCC 2313568743 WRIIDFBSCJRMES-UHFFFAOYSA-N 483.362 4.974 50 10 JJGE COC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2)c(OC)c1 2314730572 GZFPKLZNLKWHTF-UHFFFAOYSA-N 451.519 4.837 50 10 JJGE CC(F)(F)C[C@H](CBr)NCc1ccc(Cl)cc1I 2318536933 CKIBJEXSLYYZMF-SNVBAGLBSA-N 452.508 4.843 50 10 JJGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(C)cc3)cs2)CC1=O 2331312282 CBDNCEZITNZRAT-KRWDZBQOSA-N 459.527 4.751 50 10 JJGE FC(F)(CBr)C(F)(F)CNCc1cc(Br)ccc1Br 2336530219 UBLBDZLTXCIQKE-UHFFFAOYSA-N 471.912 4.967 50 10 JJGE F[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(Cl)c(I)c1 2337217989 DBATYFKBUKQWMD-DMTCVQMQSA-N 458.540 4.783 50 10 JJGE Fc1cc(CBr)c(N2CC[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)cc1Cl 2362385301 IGFLAWJZKMHDBX-LEWJYISDSA-N 453.783 4.854 50 10 JJGE Cn1cnc(Br)c1[C@@H](Br)c1cc(Br)c2c(c1)CCCO2 2362434989 ZLAYXQHGLCWJSK-NSHDSACASA-N 464.983 4.754 50 10 JJGE C[C@H](Br)CN(C(=O)c1ccc(F)cc1I)C1CCCC1 2368863634 VFSHMWFOPKZMFO-JTQLQIEISA-N 454.121 4.599 50 10 JJGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1 38606113 GCHIJQDPILZTKX-LFVJCYFKSA-N 498.608 4.890 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1OC 38658342 QGQDEIOJYCDUQS-QHCPKHFHSA-N 462.889 4.795 50 10 JJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)c1 38659821 VUFJRJIGIUVGSC-AREMUKBSSA-N 486.524 4.523 50 10 JJGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)c1 38680333 ZRWDYJYREHBHMW-HSZRJFAPSA-N 464.880 4.990 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC)cc2)cc1 38685771 HUUPRFVNCAPKEK-VWLOTQADSA-N 456.498 4.921 50 10 JJGE Nc1c(NNC(=O)c2cccc(Cl)c2)ncnc1N(Cc1ccccc1)Cc1ccccc1 40709607 OEWJHYVHOLKPNW-UHFFFAOYSA-N 458.953 4.676 50 10 JJGE Cc1nn(C)c(C[C@H](CBr)c2ccc(Br)cc2)c1Br 118657691 VGAOXDOCQDVUPY-LLVKDONJSA-N 451.000 4.975 50 10 JJGE CC[C@@H](CCBr)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 137093963 ULOPZQKPWRELFF-QMMMGPOBSA-N 468.038 4.845 50 10 JJGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCCCS2(=O)=O)cc1Br 169106200 CMVNRMWFCPURSH-QWHCGFSZSA-N 475.040 4.923 50 10 JJGE CCN(CC)c1ccc(C=NNC(=O)COc2c(Br)cc(C)cc2Br)cc1 252634817 WRINRDHYEWHHEX-UHFFFAOYSA-N 497.231 4.895 50 10 JJGE COc1cccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)c1OC 254481915 TZCHBEZVWMRPTO-UHFFFAOYSA-N 487.585 4.502 50 10 JJGE CCCn1ncnc1COc1c(Br)cc(Br)cc1CBr 312630214 INNVVLRAONZHDB-UHFFFAOYSA-N 467.987 4.687 50 10 JJGE ClCc1nc2cc(I)ccc2n1CC[C@@H]1CN(Cc2ccccc2)CCO1 383916977 QYXUWXLBSJNWGN-GOSISDBHSA-N 495.792 4.671 50 10 JJGE C[C@@H](Br)CC(C)(C)CNS(=O)(=O)c1cc(Cl)c(Br)s1 393587941 XVNVPYHJNVJBLH-SSDOTTSWSA-N 453.649 4.642 50 10 JJGE O=C(NNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1cc(-c2ccccc2)on1 727726027 NDKHWJTXIHVCKN-UHFFFAOYSA-N 483.459 4.636 50 10 JJGE CCn1c(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)nc2ccccc21 818931404 APAVHMGMWVUCBO-RGEXLXHISA-N 483.963 4.710 50 10 JJGE COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(OC3CCCC3)c(OC)c2)c1C 916073739 FUIBISIRIQVNID-CKMDTHJYSA-N 465.594 4.866 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1O 1865682006 CYYCJYHMRAICJT-FQEVSTJZSA-N 478.430 4.977 50 10 JJGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCNC(=O)[C@H]2c2ccc(F)cc2)n1 1868231745 QRDPIYKSKIULEA-JOCHJYFZSA-N 462.554 4.733 50 10 JJGE COc1ccc([C@H](Br)c2c(Br)c(C)nn2C)cc1Br 1877175006 JWEPKHMVABSZJQ-LBPRGKRZSA-N 452.972 4.746 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@@]2(CCC[C@@H]2Br)C1 1918940894 SDASBTRCKKVMJO-ZFWWWQNUSA-N 466.011 4.991 50 10 JJGE CC(C)(C)CN(CCCl)C(=O)c1ccc(Br)cc1I 2142289891 VPQRYSKJVBZFQT-UHFFFAOYSA-N 458.565 4.781 50 10 JJGE O=C(NC[C@@]12CCC[C@]1(CBr)C2)c1cc(Br)sc1Br 2142941027 SGLQKJKZZHZOSR-OLZOCXBDSA-N 472.040 4.958 50 10 JJGE CC(C)(C)OC(=O)NCC1CCS(=O)(=NC[C@@H](CBr)c2ccccc2)CC1 2163059754 WEOZWVWYUAWMJC-QSBSHVOESA-N 459.450 4.568 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2164656797 QNXNXWPIODKXRN-CHIMOYNISA-N 468.560 4.723 50 10 JJGE Fc1cc(Br)cc(N2CC[C@@]3(CN(Cc4ccccc4)CCO3)C2)c1CBr 2170699546 RTHRXLMFQWLZIH-OAQYLSRUSA-N 498.234 4.964 50 10 JJGE Fc1c([C@@H](Br)c2cc(I)sn2)cnn1-c1ccccc1 2176537449 ILRPOGPPHJOZST-GFCCVEGCSA-N 464.101 4.557 50 10 JJGE C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(CBr)c(Cl)c1 2179790679 HRUOPLUQJMIMOK-MRXNPFEDSA-N 471.848 4.520 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](O[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 2217092506 ZXQDVCDPFGHMKL-FVCCEPFGSA-N 463.278 4.547 50 10 JJGE ClC[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncc(I)cc1Br 2231988950 WROMBGQCAAZKSE-SUZMYJTESA-N 455.565 4.825 50 10 JJGE Cc1ccc(I)c(C(=O)N2CCC[C@H](C)[C@@H]2CCBr)c1 2240925925 ROCPJLSBVILOCV-WFASDCNBSA-N 450.158 4.625 50 10 JJGE C[C@H](CCCCCI)NC(=O)c1c(F)cccc1I 2267658271 FTOWLSDKBYPLPJ-SNVBAGLBSA-N 489.110 4.544 50 10 JJGE C[C@@H](Cl)CN(C(=O)c1ccc(I)c(Br)c1)C1CCC1 2272428690 NAAIXSFKYWHBCH-SECBINFHSA-N 456.549 4.676 50 10 JJGE CCC[C@H](CCBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277935660 QJCWRNVXIBRVOO-CYBMUJFWSA-N 456.016 4.824 50 10 JJGE O=S1(=O)CCCC[C@@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288348723 IICTVEQKGQCBPM-SCZZXKLOSA-N 496.993 4.893 50 10 JJGE Cc1cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NC2CCCCC2)ccc1Cl 2296543478 FVHPLBXCOOBPKU-UHFFFAOYSA-N 462.937 4.805 50 10 JJGE CC(C)c1ccc(N2C(=O)C(=Cc3ccc4c(c3)CCN4CCCCl)C(=O)NC2=S)cc1 2296933369 IDSDYEVNBNBZJU-UHFFFAOYSA-N 468.022 4.633 50 10 JJGE CCOc1cc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCc1ccc(F)cc1 2328829451 DCVDXAMRQNKBQY-NRFANRHFSA-N 485.556 4.653 50 10 JJGE C[C@@H]1[C@H](Br)CCN(C(=O)c2ccc(Cl)c(I)c2)[C@@H]1C 2344521210 SQSRARMQTRBPCK-IQJOONFLSA-N 456.549 4.579 50 10 JJGE ClC[C@@]1(NCc2ccc(I)c(Br)c2)C[C@H]2CC[C@H]1C2 2349827685 JFBJHOKEFGUCQO-WBIUFABUSA-N 454.577 4.941 50 10 JJGE C[C@@H]1CN(C(=O)c2ccc(Cl)cc2I)CC[C@H]1CCBr 2365582913 XCHKTNFWEYEUQT-GHMZBOCLSA-N 470.576 4.828 50 10 JJGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 14036283 RNEXTNQJXQCUDH-SFHVURJKSA-N 479.602 4.512 50 10 JJGE O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 27520022 NZCZOMJYFDKGIT-WYMPLXKRSA-N 457.273 4.918 50 10 JJGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Nc1ccc(OC(F)(F)F)cc1 40794931 NLTFQVCLOSVZHU-UHFFFAOYSA-N 494.477 4.976 50 10 JJGE COc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(Cl)c2)CCC3)c1 40813294 IBQDKSUNFMXXKT-ZXVVBBHZSA-N 451.910 4.973 50 10 JJGE Cc1c(C(=O)N2CCCC[C@H]2C)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813402 MPHXMQSIROXMOB-KCWAVRRGSA-N 472.929 4.635 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)cc1 58894764 IBDKEFRCRYIZOP-OOEUXUOGSA-N 451.479 4.526 50 10 JJGE O=C(CCc1ccc2c(c1)OCO2)N/N=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 59146514 BSQVSPGWMBBZHA-OLFWJLLRSA-N 496.350 4.722 50 10 JJGE COc1cc(C[C@H](Br)c2cc(Br)ccc2Br)ncn1 161330240 JCKAISCTGRXRPJ-LBPRGKRZSA-N 450.956 4.689 50 10 JJGE CCOc1cc(/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 214330900 OBWLYSMLEGGKOC-QBXVKSGMSA-N 490.531 4.575 50 10 JJGE C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)NNC(=O)c2ccc(F)cc2)nnc1-c1cccs1 251642776 SFJXAIUPZZOVFB-MRHSLFKSSA-N 499.637 4.696 50 10 JJGE Cn1c2ccccc2c2cc(C=NNC(=O)[C@]3(C)CC3(Br)Br)ccc21 252633325 WCIAJCIVTDTNOA-SFHVURJKSA-N 463.173 4.678 50 10 JJGE COc1ccc(C=NNC(=O)c2[nH]c3ccc([N+](=O)[O-])cc3c2-c2ccccc2)c(OC)c1OC 254297017 XFOZEUCABZTFBF-UHFFFAOYSA-N 474.473 4.533 50 10 JJGE CCCCOc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3C)cc2)cc1 254346346 GCKPFUOOWLTTGC-UHFFFAOYSA-N 460.530 4.922 50 10 JJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc3c(c2)OCO3)cc1 254738585 CSSJGYZFGYGPRH-UHFFFAOYSA-N 468.465 4.560 50 10 JJGE C[C@H](Br)C[C@@H]1CCCCCN1C(=O)c1ccccc1I 380310690 HZIRIDQEMVKUAU-STQMWFEESA-N 450.158 4.850 50 10 JJGE C=CCOc1c(Br)cc(C=NNC(=O)c2ccccc2Br)cc1OCC 916247674 ROQBXGGXPQURPU-UHFFFAOYSA-N 482.172 4.939 50 10 JJGE O=C(NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1ccc([N+](=O)[O-])cc1 1084170544 PVKVSVRUMPUOBR-UHFFFAOYSA-N 476.492 4.865 50 10 JJGE O=C(NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1ccc(F)cc1 1084626802 MXEKKVGEGLORMR-UHFFFAOYSA-N 460.292 4.800 50 10 JJGE COc1ccc(N(C)C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1OC 1115900882 BSGDDBHYIUOHSS-AQTBWJFISA-N 475.936 4.704 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2cc(Cl)ccc2[N+](=O)[O-])C1 1614616475 PJIKKRIFIHNCJY-MFKMUULPSA-N 466.703 4.634 50 10 JJGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OC(=O)c2ccccc2)cc1 1865705456 WGLBRJAALFAWGM-GOSISDBHSA-N 468.435 4.749 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc(Cl)c1O 1865706809 GAWZBZGCUJBRDC-MRXNPFEDSA-N 494.832 4.675 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1ccc(C(=O)O)cc1 1865709054 MPDZXPXJAFJGKD-IBGZPJMESA-N 476.414 4.961 50 10 JJGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccccc2F)cc1 1873795278 VXGBBDNJIFYEQB-YYHBXHNPSA-N 475.586 4.501 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@@H](Cl)CCc1cc(I)ccc1Cl 1893662118 YLGLHIJWECIJBV-LBPRGKRZSA-N 474.125 4.781 50 10 JJGE O=C(NCC[C@H]1CCC[C@@H]1Br)c1ccc(Br)cc1Br 1913719960 AKDVKAZJCOBAEY-SKDRFNHKSA-N 454.000 4.895 50 10 JJGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc(C)c(F)c(CBr)c1 2179861719 LPRKJSKIYJGJKZ-UHFFFAOYSA-N 458.393 4.647 50 10 JJGE CN([C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21)S(=O)(=O)c1csc(CBr)c1 2190546127 DXUXZLLBIPPWIF-XAMWDVODSA-N 470.454 4.647 50 10 JJGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2CC[C@@H](Cl)C[C@H]2C1 2207274003 YQMKZYFVSVZTEM-JBLDHEPKSA-N 468.560 4.533 50 10 JJGE Cc1ccc(C(=O)NC[C@H]2CCC[C@@H](CBr)C2)cc1I 2232828941 STFSIBWZVITQRB-OLZOCXBDSA-N 450.158 4.531 50 10 JJGE C[C@@]1(CBr)C=CCCN1C(=O)c1cc(Br)sc1Br 2253438918 KCYRHHTWBCRKBX-LBPRGKRZSA-N 458.013 4.829 50 10 JJGE CN(Cc1ccccc1I)c1cc(CCl)c(Br)cn1 2265542547 BZUKQIXIPUTYMK-UHFFFAOYSA-N 451.533 4.824 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@@](=O)(=NCCCCCCCBr)C2 2277455004 LNFGCFKEYSESOU-BCHFMIIMSA-N 451.471 4.973 50 10 JJGE O=C(NC12CCC(CBr)(CC1)C2)c1ccc(Cl)c(I)c1 2283667019 FYGLLDXSQRGENN-UHFFFAOYSA-N 468.560 4.772 50 10 JJGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)Nc1ccc(C)cc1 2296542718 CWMSKWXSHRQPLT-UHFFFAOYSA-N 466.497 4.658 50 10 JJGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)cc1 2296723191 WYSROVSRWUJOBB-UHFFFAOYSA-N 475.501 4.581 50 10 JJGE COc1ccccc1N1CCN(C(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 2297382560 ZELBLVLLYSBPKW-UHFFFAOYSA-N 489.579 4.804 50 10 JJGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 2314616801 KARQEQITJORGAA-UHFFFAOYSA-N 453.454 4.690 50 10 JJGE CC(C)(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)cc2C1=O 2331333865 JPZLUZCNWBKOML-UHFFFAOYSA-N 473.510 4.883 50 10 JJGE N#C/C(=C/c1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 33930225 JBZVOLYBHFIWKF-XFFZJAGNSA-N 451.074 4.665 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1OC 38658498 XIDMCZWUDWMMOB-RUZDIDTESA-N 492.915 4.560 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2CCCCC[C@@H]2Cl)cc1Br 136223889 HXHUBTOGYPZDTO-STQMWFEESA-N 459.631 4.738 50 10 JJGE CCOc1ccc(C)cc1[C@H](C)NC(=O)/C(C#N)=C\NCCc1ccc(Br)cc1 217187775 KGXJFVSAENOGET-STZPCZCHSA-N 456.384 4.573 50 10 JJGE CC(C)N(CCCBr)C(=O)c1cc(Br)ccc1I 232649144 DZSULYGUIPNWQV-UHFFFAOYSA-N 488.989 4.689 50 10 JJGE COc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)c1 254310164 UOSUPQRZRMLROG-UHFFFAOYSA-N 471.586 4.802 50 10 JJGE C[C@@H](Br)C[C@H]1CCCN1C(=O)c1cc(Br)cc(Br)c1 302570007 AOXQNMYFOAETAW-NOZJJQNGSA-N 454.000 4.990 50 10 JJGE CC(C)(COc1c(Br)cc(Br)cc1CBr)CS(C)(=O)=O 692821858 AYQXAJLGWOOCAW-UHFFFAOYSA-N 493.055 4.556 50 10 JJGE CCOc1ccc([C@@H](Br)c2c(Br)cnn2C)cc1Br 693071490 UBUVFSDDFLALIT-GFCCVEGCSA-N 452.972 4.828 50 10 JJGE C/C(=C\C(=O)NNC(=O)[C@@H](C)Oc1c(C)cc(Cl)cc1C)c1cccc(C(F)(F)F)c1 1540335681 HSIRAMGGDUYKMB-HBIYDYFMSA-N 454.876 4.994 50 10 JJGE C=C(Cl)CSc1nc(C)c(CC(=O)NNC(=O)c2ccc(Cl)cc2Cl)s1 1628210344 QMDJYKMWMUQVLA-UHFFFAOYSA-N 450.800 4.607 50 10 JJGE CC(=O)N(c1ccc(NC(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1)[C@@H]1C[C@@H]1C 1677827432 KZHNYKWEXNYTQS-YVEFUNNKSA-N 456.955 4.783 50 10 JJGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccccc1 1865694270 WHNZJLKFGJEOJG-QGZVFWFLSA-N 456.424 4.517 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(C(=O)O)cc1 1865708578 BOTVCJXFDRLXQV-INIZCTEOSA-N 474.826 4.520 50 10 JJGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(c4nnc(C)n4C)CC3)n2)cc1 1868321075 UEIRLOBEXWBSNT-UHFFFAOYSA-N 497.632 4.532 50 10 JJGE N#C/C(=C(/O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2ccc(F)cc2)cs1 1872753376 UOKQWAUELJVJLA-VLGSPTGOSA-N 484.306 4.801 50 10 JJGE Cc1cc(Br)cc(C(=O)N(C)C[C@H](Br)COCc2ccccc2)c1 1916385537 HOSUTWMOWWCMLD-SFHVURJKSA-N 455.190 4.810 50 10 JJGE CC1(C)C[C@H](Br)CN(C(=O)c2cc(Br)ccc2Br)C1 1923164407 VOHHEKHNXRAMMP-JTQLQIEISA-N 454.000 4.847 50 10 JJGE CC(C)(C)OC(=O)N(CCNC(=O)c1ccc(CBr)cc1)OCc1ccccc1 1959365389 QPXZMTZNJIHYEM-UHFFFAOYSA-N 463.372 4.680 50 10 JJGE O=S(=O)(c1cc(CCl)oc1Br)N(CCC(F)(F)F)Cc1ccccc1 2034737526 JKYGNUJACYESBO-UHFFFAOYSA-N 460.699 4.924 50 10 JJGE C[C@H]1CCCN(c2ncc(I)cc2Br)[C@@H]1CCBr 2069529320 POGXTYKYUFWBNM-JOYOIKCWSA-N 488.005 4.839 50 10 JJGE CC[C@H]1CN(C(=O)c2csc(Br)c2Br)C[C@@H]1CBr 2084901302 VAXFHOOVYRHSLB-YUMQZZPRSA-N 460.029 4.766 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H]2CCC[C@@]2(CBr)C1 2103173218 SCXOSBMLWZXERR-AMIZOPFISA-N 472.040 4.910 50 10 JJGE O=C(N[C@H]1CC[C@@H](CBr)CC1)c1c(Br)cccc1Br 2118510665 QJTKAVPDNAMRBG-AOOOYVTPSA-N 454.000 4.895 50 10 JJGE CC1(C)C[C@@H](CBr)CN1C(=O)c1cc(Br)cc(Br)c1 2127823260 FWPZVPLOTGLWMS-VIFPVBQESA-N 454.000 4.847 50 10 JJGE O=C(NC[C@]1(CBr)CC12CCC2)c1cc(Br)cc(Br)c1 2154206898 YKQZWSGFDJVNNJ-OAHLLOKOSA-N 466.011 4.897 50 10 JJGE CN(C[C@H]1C[C@H]1Br)C(=O)c1c[nH]c2cc(Br)c(Br)cc12 2196914040 JJOKSKBFTWUPRQ-GMSGAONNSA-N 464.983 4.548 50 10 JJGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C[C@H](Br)C1 2242404603 HCVUGDKTBDMMOQ-NDHIBRFCSA-N 485.422 4.982 50 10 JJGE O=C(N[C@H]1CCCC[C@H]1CCBr)c1c(F)cccc1I 2282810800 XEONJTPCASCZBU-GWCFXTLKSA-N 454.121 4.504 50 10 JJGE N#CC(=Cc1ccc(COc2cccc(C(F)(F)F)c2)o1)C(=O)NCc1ccc2c(c1)OCO2 2295650069 RLSQMUHRLFIDIQ-UHFFFAOYSA-N 470.403 4.829 50 10 JJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)C=Cc1cccc2ccccc12 2313616914 VPQAYNOROBHOLW-CQSZACIVSA-N 488.396 4.649 50 10 JJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)N1CCOCC1 2314414649 HRPKIASLLTUMKF-UHFFFAOYSA-N 490.563 4.884 50 10 JJGE COc1ccc(Cl)c(CC(=O)NN=Cc2cccc(OC)c2OCc2cccc(C)c2)c1 2323676516 CVWGSUBUYRZKQW-UHFFFAOYSA-N 452.938 4.937 50 10 JJGE N#CC(=CNCCc1ccccc1Br)C(=O)NC(c1ccccc1)c1ccccc1 2324837669 RHLOTWGTMHAUEH-UHFFFAOYSA-N 460.375 4.894 50 10 JJGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NN=Cc4cccc(Cl)c4Cl)c(=O)c23)C1 2325903217 HAPWNMCRSCPRDL-NWDGAFQWSA-N 463.390 4.601 50 10 JJGE CC[C@]1(C)[C@@H](Br)CCN1C(=O)c1c(Br)cccc1Br 2336767459 UPJPTVCJAOSKKM-SMDDNHRTSA-N 454.000 4.990 50 10 JJGE C[C@@H]1[C@H](Br)CCN(C(=O)c2ccc(Br)cc2Br)[C@@H]1C 2344520770 PIRWEOJGMCURFV-YGOYTEALSA-N 454.000 4.846 50 10 JJGE Cc1cc(C)cc(-n2c(SCC(=O)/C(C#N)=C3/Nc4ccccc4N3C)nc3ccccc3c2=O)c1 16053088 UFHYQIBQCOHVME-QLYXXIJNSA-N 493.592 4.961 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccccc1C(=O)O 33757759 PFKGZNYJFBPQEC-KGENOOAVSA-N 452.514 4.540 50 10 JJGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(CC)cc3)ccc21 38650551 VLAYUWWDAUTVQP-HHHXNRCGSA-N 470.525 4.850 50 10 JJGE Cc1ccc2cccc(Nc3ncnc(NNC(=O)c4cccc5ccccc45)c3[N+](=O)[O-])c2n1 40626786 KDEWXQCKZVNPCT-UHFFFAOYSA-N 465.473 4.895 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Cl)cc1C 40934596 XTJCUGBJHRAJGF-XDHOZWIPSA-N 494.931 4.848 50 10 JJGE Cc1cc(Br)c([C@@H](Br)C(C)(C)S(C)(=O)=O)cc1Br 128772177 MWTWBBXYTFDMBR-LLVKDONJSA-N 463.029 4.779 50 10 JJGE O=S(=O)(N[C@H]1CCCCC[C@@H]1Br)c1cc(Br)ccc1Br 136209979 DHZNNUWVRWSPPV-JQWIXIFHSA-N 490.055 4.586 50 10 JJGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OCC)cc1 206687435 DTTYNBOOUBUMTA-WAQMNQRUSA-N 486.524 4.919 50 10 JJGE O=C(NC[C@H](Cl)c1ccccc1)c1cc(Br)ccc1I 236039547 XYGAQAAWSOUWDL-ZDUSSCGKSA-N 464.528 4.764 50 10 JJGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)Nc1cccc2ccccc12 254703923 WWKXXRJPRFZQPE-UHFFFAOYSA-N 477.499 4.920 50 10 JJGE BrCc1c(Br)cc(Br)cc1I 575693830 GEEABMCPVBQKDI-UHFFFAOYSA-N 454.725 4.711 50 10 JJGE CC(C)(C)CN(CCBr)S(=O)(=O)c1cc(Cl)c(Br)s1 708590309 WJSMDUSIYJNPAD-UHFFFAOYSA-N 453.649 4.596 50 10 JJGE C[C@]1(CCl)CCCN(C(=O)c2ccc(I)c(Br)c2)C1 721511511 SPYZOMOTUFYZRE-CQSZACIVSA-N 456.549 4.535 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@H]2CC[C@H](Br)[C@H]1C2 721566680 PHEPGTDWQAOUFT-OLUVUFQESA-N 468.560 4.723 50 10 JJGE CC1(C)C[C@@H](Cl)C[C@H](NC(=O)c2ccc(I)c(Br)c2)C1 721620640 LWBGDKHHUKCWAD-QWRGUYRKSA-N 470.576 4.970 50 10 JJGE CC[C@@H]1CCCCN1C(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 782092094 CAYSJQCIEZJDBF-AGDSMTDXSA-N 493.995 4.747 50 10 JJGE CC(=NNC(=O)COc1ccc(Br)cc1Cl)c1ccc(Br)cc1 1084447853 MZFMJPBCVSRXML-UHFFFAOYSA-N 460.553 4.784 50 10 JJGE CC1(C)[C@H]2CC[C@]1(C)/C(=N\NC(=O)CSc1nc3ccccc3c(=O)n1-c1ccc(C#N)cc1)C2 1086988970 PAKRMLQMVAOBKZ-MEVMZWEMSA-N 485.613 4.668 50 10 JJGE CC(=O)CCc1ccc(OCc2cccc(C(=O)NNC(=O)c3cc4ccccc4o3)c2)cc1 1531327728 KUFWPDLEIVGXHC-UHFFFAOYSA-N 456.498 4.608 50 10 JJGE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(-c2ccc(Cl)s2)nn1 1611547989 DQBVSWMZWDXDGU-CQSZACIVSA-N 451.980 4.551 50 10 JJGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865692913 PZDANUIVMYUDIG-NRFANRHFSA-N 480.952 4.722 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1865705703 CSBGILHZNFNUDR-MRXNPFEDSA-N 475.814 4.730 50 10 JJGE CC[C@H](NC(=O)CCc1nc(-c2ccc(F)cc2)cs1)C(=O)Nc1ccc(SC#N)cc1 1867069552 XHERZNXREQVKPG-IBGZPJMESA-N 468.579 4.988 50 10 JJGE Cc1csc(CBr)c1S(=O)(=O)N1CC[C@@]1(C)CCOCc1ccccc1 1892699891 FTTKMPOTPILKDE-IBGZPJMESA-N 458.443 4.711 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@H](Br)CCc1cc(F)ccc1Br 1905343494 PCDAYILWPWLNFW-GFCCVEGCSA-N 455.121 4.581 50 10 JJGE FC(F)(F)c1cnc(N2CC[C@H](Br)C23CCC3)c(I)c1 1914408119 GHERTFMSYIZWQM-JTQLQIEISA-N 461.063 4.601 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@H](Br)C12CCC2 1914447084 HCURZIQZNWFEJN-LBPRGKRZSA-N 451.984 4.744 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CC[C@@H](Br)C12CCC2 1914452035 WLCPXPYAKYENKI-GFCCVEGCSA-N 498.984 4.586 50 10 JJGE C[C@@]12CN(C(=O)c3cc(Br)sc3Br)C[C@@]1(CBr)C2 2046799274 TYZPPDNBQARUDT-NEPJUHHUSA-N 458.013 4.520 50 10 JJGE C[C@@H]1C[C@H](Br)CCN(C(=O)c2cccc(Br)c2Br)C1 2103290398 ASVXWMVMGMNMAT-NXEZZACHSA-N 454.000 4.847 50 10 JJGE CC1(C)CC(CCl)(NC(=O)c2cc(Br)ccc2I)C1 2107257147 OBRIYCJPXPTDET-UHFFFAOYSA-N 456.549 4.581 50 10 JJGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cccc(Br)c1Br 2148757913 UNPANQWGOWTYNW-GAQJKIJGSA-N 466.011 4.988 50 10 JJGE Cc1ccc(I)cc1-n1c(CCl)nc2cncc(Br)c21 2151788916 DTAHMEZSCJENLL-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE Cc1cc(C(=O)N[C@]2(CBr)CCCC2(C)C)ccc1I 2207096401 KBDNNKYGDZMANY-INIZCTEOSA-N 450.158 4.673 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1CN(CCCCCI)C[C@H]1c1ccccc1 2227435677 KCWBNSFMOSCEAR-OALUTQOASA-N 472.411 4.832 50 10 JJGE Cc1nc2c(cc1Br)nc(CCCl)n2C[C@@H]1CC1(Br)Br 2233037698 CMJCKJHLLCGNLX-QMMMGPOBSA-N 486.433 4.790 50 10 JJGE CC1(C)C[C@@H](Br)CN(C(=O)c2ccc(Cl)c(I)c2)C1 2268346794 RXKQKKLHENIBLL-SNVBAGLBSA-N 456.549 4.580 50 10 JJGE O=C(NC1(CCBr)CCSCC1)c1ccc(Cl)c(I)c1 2283662567 JRZPMBBVKPEVKL-UHFFFAOYSA-N 488.616 4.725 50 10 JJGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)c2nc3ccccc3n2C)cc1 2296719400 MHXGTQOXASJDMP-UHFFFAOYSA-N 463.497 4.755 50 10 JJGE COc1cc(Br)cc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)c1O 2323163495 MEJHVCJOGKQGHY-GFCCVEGCSA-N 456.340 4.533 50 10 JJGE N#CC(=CNc1cc(F)ccc1F)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609714 PWWAOBMQXPYTKI-UHFFFAOYSA-N 458.512 4.718 50 10 JJGE BrC[C@@H]1C[C@@H]2CN(Cc3ccc(I)c(Br)c3)C[C@H]21 2325230555 ORCCZEJHHBYNGS-TUAOUCFPSA-N 485.001 4.517 50 10 JJGE N#CC(=C(O)CN1C(=O)c2ccccc2C1=O)c1nc(-c2cccc(Br)c2)cs1 2331279272 DMLKQHHVBUIKPF-UHFFFAOYSA-N 466.316 4.661 50 10 JJGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)[C@H](C)N2C(=O)c3ccccc3C2=O)n1 2331371874 MSHFIDMIVZWMGH-HNNXBMFYSA-N 459.527 4.913 50 10 JJGE O=C(NCC(F)(F)C(F)(F)CBr)c1csc(Br)c1Br 2336540242 ACVYDAYXELRITE-UHFFFAOYSA-N 491.924 4.668 50 10 JJGE O=C(N[C@H]1CCC[C@H](CBr)C1)c1ccc(Cl)cc1I 2340057295 LKKRSAJWENUBLK-ONGXEEELSA-N 456.549 4.628 50 10 JJGE CC1CCC([C@@H](CBr)NC(=O)c2ccccc2I)CC1 2379725114 PLPDYOOYLFVUCJ-KOHJWAIASA-N 450.158 4.611 50 10 JJGE CC1CCC([C@@H](CBr)NC(=O)c2ccc(I)cc2)CC1 2379733899 XUWQWANQYKAQTP-KOHJWAIASA-N 450.158 4.611 50 10 JJGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc(Cl)cc1Cl 12577093 ICDSOSVAAKBIDJ-UHFFFAOYSA-N 466.148 4.686 50 10 JJGE CCCCCCOc1ccccc1C(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 14032647 WWBUYZIFBIQWOK-UHFFFAOYSA-N 459.974 4.787 50 10 JJGE O=C(NNC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(OCCOc2ccccc2)cc1 14039538 ZSKXQWPLQNFSGT-UHFFFAOYSA-N 482.536 4.798 50 10 JJGE O=C(NNC(=O)c1cccc(OCCOc2ccccc2)c1)c1ccc(OCc2ccccc2)cc1 14040952 WFPZMSMCPHNMSS-UHFFFAOYSA-N 482.536 4.798 50 10 JJGE COC(=O)c1ccc(COc2ccc(/C=C(/C#N)C(=O)NCc3ccc(Cl)cc3)cc2)cc1 33683264 IASZJGXMYJMJFJ-HMAPJEAMSA-N 460.917 4.929 50 10 JJGE O=C(/C=C\c1cccc2ccccc12)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 34983754 CIHPIJJGGSMMLM-ZCXUNETKSA-N 451.551 4.856 50 10 JJGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 38654760 GEXLDCWKOXEBJJ-XMMPIXPASA-N 471.469 4.819 50 10 JJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1OC 38681206 ARPJBZNBXZWTEX-NDEPHWFRSA-N 498.535 4.635 50 10 JJGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)c1 40530202 XVWHMGPODBBWSJ-VWLOTQADSA-N 456.498 4.921 50 10 JJGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1ccc(Cl)cc1Cl 40783298 OSAKTIMTMQPRBD-UHFFFAOYSA-N 488.162 4.938 50 10 JJGE Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825910 VRBAGOIHJSMPTM-JBASAIQMSA-N 466.541 4.879 50 10 JJGE O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1OCc1ccccc1 96286828 URRKZQBXVIGELR-YDZHTSKRSA-N 454.280 4.700 50 10 JJGE COc1ccc(/C=N\NC(=O)Cc2cc(Cl)ccc2SC)c(Br)c1OC 169922860 NUPUZNLVHBUXIH-FBHDLOMBSA-N 457.777 4.534 50 10 JJGE COc1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)ccc1OS(=O)(=O)c1ccccc1 252608805 HNHKGAOACZNYEU-UHFFFAOYSA-N 479.341 4.534 50 10 JJGE C[C@@H](Br)C[C@@H]1CCCN1C(=O)c1ccc(Br)cc1Br 311979654 LJXVTDOEHPJBMT-KOLCDFICSA-N 454.000 4.990 50 10 JJGE COc1cc(Cl)ccc1[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CI 382732598 VGUZNCNUOMYJFX-BXUZGUMPSA-N 451.732 4.734 50 10 JJGE Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 729344221 CRFISAXANMINPH-ACRNLXFHSA-N 487.947 4.903 50 10 JJGE CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)c1C 855901944 FHZWDSZMMINDHG-KYCFSCSMSA-N 462.594 4.983 50 10 JJGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)NN=Cc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 1084098695 ABUVBULLKDEOCU-UHFFFAOYSA-N 497.433 4.693 50 10 JJGE O=C(NN=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21)c1ccc(Cl)cc1Cl 1084138867 YHEDPLQRBAOTGA-UHFFFAOYSA-N 469.284 4.583 50 10 JJGE COc1ccc(COc2ccc(C=NNC(=O)c3ccc(NC(=O)c4ccccc4)cc3)o2)cc1 1084167679 YFJYXQXGQNHEGK-UHFFFAOYSA-N 469.497 4.883 50 10 JJGE COc1cc(C=NNC(C)=O)cc(I)c1OCc1cccc2ccccc12 1084412499 QJHLOJQHMJJJTP-UHFFFAOYSA-N 474.298 4.502 50 10 JJGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1ccc(C)cc1 1084612554 YVQVOFDFYTYZEY-UHFFFAOYSA-N 470.602 4.780 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865684165 VIKCPTHCSKAMAD-QHCPKHFHSA-N 452.489 4.964 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)ccc1OCc1ccccc1 1865686854 COYDSTXQYDUBNH-DEOSSOPVSA-N 464.525 4.893 50 10 JJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccn2)cc1OCC 1865691514 UQNAUZPEEMCWJW-HSZRJFAPSA-N 459.550 4.625 50 10 JJGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccn2)cc1OC 1865696457 NIJVLYTUSRZZGH-QHCPKHFHSA-N 459.550 4.625 50 10 JJGE CCOc1ccc(/C=N\NC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)cc1OCC 1865760976 ZPLBAMMYMICEIF-YUMHPJSZSA-N 463.534 4.636 50 10 JJGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OCc2cccc(Cl)c2)c1 1873792789 MIAZSIPDFWTDNU-WMPMWDHYSA-N 459.974 4.918 50 10 JJGE Cn1ncc([C@H](Cl)c2sc(Cl)cc2I)c1I 1901025762 JPXJUARKYHZFNO-ZETCQYMHSA-N 498.942 4.672 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H](CBr)C2(CCC2)C1 1914498600 UREQSIIBRXFGFD-QMMMGPOBSA-N 472.040 4.910 50 10 JJGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1Br 1914657155 YTCMGXUIMKSAPW-LBPRGKRZSA-N 465.182 4.563 50 10 JJGE Cc1ccccc1Cn1nc(CBr)c(I)c1C(F)(F)F 2079241072 NHACCHRFIITRJO-UHFFFAOYSA-N 459.047 4.758 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@H]2C[C@H]1CC[C@H]2Br 2092334466 HZEFRQLFFNTMBX-FXPVBKGRSA-N 451.984 4.600 50 10 JJGE Cc1c([C@H](Br)[C@H](C)c2ccncc2Br)nn(C)c1Br 2111932109 HEFDXRNBLGJWOC-RDDDGLTNSA-N 451.988 4.888 50 10 JJGE CCC[C@H](Br)c1cn(Cc2cc(Cl)ccc2I)nn1 2121064315 NXRAXLNPFVSVNK-NSHDSACASA-N 454.537 4.821 50 10 JJGE Clc1cc(CN2C[C@H]3C[C@@H](Br)CC[C@H]3C2)ccc1I 2142943422 MAPYIXAXHYCSDT-XQQFMLRXSA-N 454.577 4.940 50 10 JJGE FC(F)(F)[C@H]1CN(Cc2cc(Cl)ccc2I)C[C@@H]1CBr 2163292638 SRALYUMUKLRIAW-ONGXEEELSA-N 482.509 4.950 50 10 JJGE O=S(=O)(N[C@H](CBr)c1ccsc1)c1ccc(Cl)c(Br)c1 2175668406 CCLUOYIJPZDJAG-GFCCVEGCSA-N 459.612 4.579 50 10 JJGE Cc1cc(CN(C)S(=O)(=O)c2ccsc2CBr)sc1Br 2202304587 KNKAMMPFBOFKRJ-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE Cl[C@@H](Cc1sc(Br)c(Br)c1Br)CN1CCOCC1 2222472964 QVQCVIPZPHIHRX-ZETCQYMHSA-N 482.463 4.518 50 10 JJGE CCN(C(=O)c1ccc(Br)cc1I)[C@@H]1CCC[C@H]1Cl 2224421926 OYVOXWWLSSLABQ-DGCLKSJQSA-N 456.549 4.676 50 10 JJGE COc1ccc(Br)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H](CCl)C1CC1 2227662231 LQZWPNROTZBWIP-KRWDZBQOSA-N 458.805 4.666 50 10 JJGE Cc1ccc(C(=O)N(C)C2(CBr)CC(C)(C)C2)cc1I 2232830602 ZNQDGSBNRABXRW-UHFFFAOYSA-N 450.158 4.625 50 10 JJGE Cc1ccc(C(=O)N2CCC[C@H](CCCBr)C2)cc1I 2234191040 IYOZDATUAQPKOI-ZDUSSCGKSA-N 450.158 4.627 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(CCCCI)C2)C1 2248249725 NBMCDVAUOUKOCL-SJORKVTESA-N 450.405 4.561 50 10 JJGE CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCCCI)C2)CC1 2248250240 ODYBVRQZMKJMIQ-KRWDZBQOSA-N 450.405 4.561 50 10 JJGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2293039198 NLNKGODYAUVTPR-QFIPXVFZSA-N 477.973 4.984 50 10 JJGE C[C@H]1CCCN(C(=O)Cc2cc(Br)cc(Br)c2)[C@@H]1CBr 2295318201 WZGZPQCSHVBRTH-IINYFYTJSA-N 468.027 4.776 50 10 JJGE COC(=O)C(C#N)=Cc1ccc(OC(=O)c2sc3ccc(OC)cc3c2Cl)c(OC)c1 2314792467 BZDIDMHWQMYUNN-UHFFFAOYSA-N 457.891 4.871 50 10 JJGE Brc1cc(CN2CC[C@H](Br)[C@@H]3CC[C@@H]32)ccc1I 2325206523 HDBKWJSJCFQGPU-MJVIPROJSA-N 485.001 4.802 50 10 JJGE Brc1cc(CN2[C@H]3CC[C@@H](Br)[C@H]2CC3)ccc1I 2325211615 KKLPHNIZMURJPD-MISXGVKJSA-N 485.001 4.944 50 10 JJGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)ccc1OCCN1CCOCC1 2331436410 SPZMXHXHDIFSRU-UHFFFAOYSA-N 483.540 4.872 50 10 JJGE COC(=O)c1c(NC(=O)CCCCCNC(=O)c2ccccc2)sc(C(C)=CC#N)c1C 2331562089 CUFGLYOHHSEPCN-UHFFFAOYSA-N 453.564 4.699 50 10 JJGE CS(=O)(=O)C1([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)CC1 2337096459 DPYDMOYYQRPBIP-JTQLQIEISA-N 454.970 4.861 50 10 JJGE CN[C@H](c1c(C)cc(Br)c(OC)c1Br)[C@H]1C[C@@H](Br)C1 2339649068 RLUKRMJZBMHJCO-RWEMILLDSA-N 456.016 4.963 50 10 JJGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)cc1 2422748 AAIWZQJHTHFAMG-HKWRFOASSA-N 480.524 4.966 50 10 JJGE CCCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 14029486 AJCNTAUFFDCQAQ-UHFFFAOYSA-N 459.546 4.891 50 10 JJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2cc(C)ccc2C(C)C)c(Br)c1 14832297 OCCYKRGOOYLCMW-KRWDZBQOSA-N 491.426 5.000 50 10 JJGE N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)/N=c1\[nH]c2c(s1)CN(Cc1ccccc1)CC2 33284877 RDAXGIRAUQZYHU-YVLHZVERSA-N 469.397 4.976 50 10 JJGE CCCC(=O)N1CCN(C(=O)/C(C#N)=C2\SC=C(c3ccc(C)cc3)N2c2ccc(F)cc2)CC1 37441433 CFTDQXBWPCJJAT-VYIQYICTSA-N 490.604 4.892 50 10 JJGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1 38651314 LHCXUSRTMHNKAK-DEOSSOPVSA-N 462.889 4.551 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@H]1c1ccc(Br)cc1 38651623 SUISJKUNNOFTSJ-LJQANCHMSA-N 453.317 4.948 50 10 JJGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(F)c1 38678252 AMGFLJZTCVUJTB-DEOSSOPVSA-N 464.880 4.990 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1c(F)cccc1Cl 38680318 NUTRKYARHLTUKU-FQEVSTJZSA-N 465.824 4.825 50 10 JJGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)cc1Br 58886903 XABFIXHTAODZPV-GRIZMQLISA-N 492.373 4.864 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)cc1 58894655 YWFBVAMXQQJBEQ-ODDBZWQPSA-N 470.909 4.661 50 10 JJGE CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1C 97657807 HQAWBPZGTHWOHD-UUYOSTAYSA-N 487.556 4.984 50 10 JJGE COc1cccc(CN(C(=O)CCl)[C@H](C(=O)NC2CCC(C)CC2)c2ccc(F)cc2)c1 97914692 FDPJQMPZURERSU-PZYUZEHPSA-N 460.977 4.838 50 10 JJGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(C)c(C)c1 101241936 ULXWYGXQDZMKLN-YWDBVWQESA-N 451.979 4.685 50 10 JJGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2cc(C)ccc2C(C)C)c(OC)c1 207135763 IDRBANMOJXDMQG-STZFKDTASA-N 464.562 4.935 50 10 JJGE N#Cc1ncccc1COc1c(Br)cc(CBr)cc1Br 232484808 MXCPLBPVBRZDGY-UHFFFAOYSA-N 460.951 4.952 50 10 JJGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)ccc1O 254287523 JHSHNTUJBZPRMC-UHFFFAOYSA-N 487.585 4.589 50 10 JJGE O=C(NN=Cc1ccccc1O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 254287571 LMUXOOLVYDZKCE-UHFFFAOYSA-N 482.196 4.581 50 10 JJGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc3ccccc3c2)cc1 254372663 VSRLVSVCXRAPAY-GMWHZFKLSA-N 462.553 4.827 50 10 JJGE CC(C)C[C@@H](CBr)NC(=O)c1ccc(I)c(Br)c1 721608264 FYQNOKDUBUTJIU-JTQLQIEISA-N 488.989 4.593 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2ncccn2)c(C)n1-c1cccc2ccccc12 821790138 CWVLBPWTNYKLGX-QTCOBDOFSA-N 465.513 4.515 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)ccc1OCCCc1ccccc1 1865696980 MIOAKPLOOUNAMU-FQEVSTJZSA-N 484.478 4.677 50 10 JJGE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(OC(=O)c4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865704644 ASBBHXAAUWLUJB-HSZRJFAPSA-N 478.508 4.533 50 10 JJGE Brc1ccc(I)cc1CO[C@H]1CCC[C@H]1Br 1902312184 CDXDRSJHFKWLRB-NEPJUHHUSA-N 459.947 4.886 50 10 JJGE FC1(F)[C@@H]2COC[C@@]21[C@@H](Br)c1cc(Br)sc1Br 1906050096 CRMPLVMEZUFSOX-SHRPOTNHSA-N 452.940 4.991 50 10 JJGE CC(C)(C)OC(=O)NCCCN(CCI)c1cccc(Br)c1 1959552265 TZBPLPJWSOAEFF-UHFFFAOYSA-N 483.188 4.605 50 10 JJGE CC(C)(CBr)CCNc1ncc(I)cc1Br 1988530438 FTOMPACBKUIBCK-UHFFFAOYSA-N 461.967 4.672 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H](Br)[C@H](C2CC2)C1 2030221295 OJCPJLGIDJRPMK-IONNQARKSA-N 458.013 4.519 50 10 JJGE C[C@@H](Br)Cc1cn(-c2ccc(Cl)c(I)c2Cl)nn1 2032957024 FGZXJOOLUSPBHQ-ZCFIWIBFSA-N 460.928 4.505 50 10 JJGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1cc(Br)sc1Br 2042546337 XGLLPPJYLLJBBI-OVLTXKMTSA-N 458.013 4.565 50 10 JJGE FC(F)c1cc(I)c(CBr)c(I)c1 2060236438 SXWMLKZTXZVURF-UHFFFAOYSA-N 472.836 4.728 50 10 JJGE CC(C)[S@@](=O)(=NCC1(CBr)CCCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2126849974 JPTKBKKSYDDQSV-DXPJPUQTSA-N 451.471 4.828 50 10 JJGE O=C(c1cc(I)ccc1Br)N1C[C@H]2[C@@H](Cl)CCC[C@H]2C1 2150970595 IBTUKTJWXIWFIG-BHYNMZESSA-N 468.560 4.533 50 10 JJGE O=C1CCCc2cc([C@@H](Br)c3cc(I)sn3)ccc2N1 2176538070 KURUAJKMOWFUHO-CQSZACIVSA-N 463.138 4.507 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1[C@H]2CC[C@@H]1C[C@@H](CBr)C2 2184576308 YPMDGVMACWJRMC-WLLOZRIZSA-N 466.011 4.990 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@@H](Cl)C2)c1cc(Br)ccc1I 2204565403 VHSCEEZPHSUPBQ-JDVFRBCBSA-N 468.560 4.580 50 10 JJGE Brc1sc([C@H]2COC[C@@H]2Br)c(Br)c1Br 2209978476 XZHGCXLFYFRQSB-IMJSIDKUSA-N 469.818 4.913 50 10 JJGE C[C@@]1(CNC(=O)c2scc(Br)c2Br)CCC[C@H]1Br 2258792532 ASWGWXUYCZLCIC-PELKAZGASA-N 460.029 4.957 50 10 JJGE CN(Cc1ccccc1I)c1ncc(Br)cc1CCl 2265549226 XWGDPHMESSSMCL-UHFFFAOYSA-N 451.533 4.824 50 10 JJGE CC[C@@H](Br)[C@@H]1CCCCN1C(=O)c1c(F)cccc1I 2282782911 DYRVAMDOOJSKCC-MFKMUULPSA-N 454.121 4.599 50 10 JJGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(F)cc2)cc1 2314533882 UNJQWUHMPZHJAZ-UHFFFAOYSA-N 454.461 4.788 50 10 JJGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)C(=Cc1ccccc1)c1ccccc1 2314793587 UUOJOPULWQMWIJ-UHFFFAOYSA-N 494.547 4.607 50 10 JJGE CC(C)(CI)CN1C[C@H](NC(=O)OC(C)(C)C)CCc2ccccc21 2326677698 URJCHTODAAQLGI-MRXNPFEDSA-N 458.384 4.794 50 10 JJGE CC1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CS(=O)(=O)C1 2337084380 KVGLXQVWJVIHRG-JTQLQIEISA-N 499.421 4.875 50 10 JJGE Cc1cc(Br)c(CBr)c(N2CC(n3ccc(Br)n3)C2)c1 2361522610 SJKOAHCLRDYELU-UHFFFAOYSA-N 463.999 4.673 50 10 JJGE Cc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Br 12487322 QBZHERCGHLAVHQ-UHFFFAOYSA-N 460.155 4.685 50 10 JJGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OC)cc1 38650031 MVRHJWSCLXMAKL-RUZDIDTESA-N 454.482 4.697 50 10 JJGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1 38651468 PAOMSJJIFGYNGC-DEOSSOPVSA-N 491.341 4.960 50 10 JJGE COc1cc(/C=C(\C#N)c2nc(-c3ccco3)cs2)ccc1OCC(=O)Nc1nccs1 39842874 VBPCXYMPGWPAIW-OQLLNIDSSA-N 464.528 4.950 50 10 JJGE CCC1CCC(=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)CC1 59371773 SOMFPOXIQOCDAO-UHFFFAOYSA-N 492.439 4.717 50 10 JJGE O=C(NC[C@H]1CCCC[C@H]1Br)c1cc(Br)cc(Br)c1 232486192 QCBTWBVNRORQGI-NOZJJQNGSA-N 454.000 4.895 50 10 JJGE CC(=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccco1 254293987 XNDKTESKLFYRRJ-UHFFFAOYSA-N 478.599 4.552 50 10 JJGE O=C(CN1CCCc2ccccc21)NN=Cc1sc(N2CCCCC2)nc1-c1ccccc1 254481506 WGBXQEPUHZBPHK-UHFFFAOYSA-N 459.619 4.703 50 10 JJGE O=C(CNc1cccc2ccccc12)NN=Cc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254756686 AOIBSIYFXDLBGZ-UHFFFAOYSA-N 468.469 4.529 50 10 JJGE 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@]21OCO[C@@]12COCO2 254826729 KZKVGEIAXRKFFJ-ICMGNYAISA-N 476.686 4.792 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2cccc(Br)c2O)C1 382694404 WZXNBIYPWAHDRV-GOEBONIOSA-N 469.173 4.902 50 10 JJGE C[C@H](NC(=O)NNC(=O)c1ccc(Br)cc1)c1ccc(OCc2ccc(F)cc2)cc1 1322459906 IKQUZLGTGHSXBZ-HNNXBMFYSA-N 486.341 4.872 50 10 JJGE Cc1cc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)no1 1772751597 GXIBEVSQGAVBEV-UHFFFAOYSA-N 474.517 4.899 50 10 JJGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(OCC)c1)C(C#N)=C(N)O2 1865681640 SFKAQZOVMPREOC-JOCHJYFZSA-N 464.953 4.860 50 10 JJGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685646 LALKROLPIUSELY-FQEVSTJZSA-N 473.895 4.954 50 10 JJGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)ccc1O 1865695460 CUXFJKIVETWNGP-GOSISDBHSA-N 451.324 4.646 50 10 JJGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)CCC(=O)c1ccccc1 1865759174 LZFYBYDJFBGIIM-UHFFFAOYSA-N 456.329 4.788 50 10 JJGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c(C)c1 1872755931 MGYOHSVHFDUONG-MNDPQUGUSA-N 474.498 4.732 50 10 JJGE CC1(C)[C@@H](Br)CCCN1C(=O)c1c(Br)cccc1Br 1887806533 IWOODIMPMQQYEJ-NSHDSACASA-N 454.000 4.990 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CC[C@H](Br)C12CCC2 1914452818 YITHBPIVZHOEHW-LBPRGKRZSA-N 498.984 4.586 50 10 JJGE CC[C@@H](C)[C@H](Br)CNC(=O)c1cc(Br)ccc1I 2029977536 MVOXQVHKGKDTKU-LDYMZIIASA-N 488.989 4.593 50 10 JJGE FC(F)(F)Oc1cc(CBr)cc(Br)c1I 2054808777 APQKYKZJPQDCLK-UHFFFAOYSA-N 459.825 4.847 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Br)C2 2134109597 CRLYHDKIOZPRSA-NVGOVIIQSA-N 476.003 4.752 50 10 JJGE ClCCc1nc2cc(Br)cnc2n1[C@@H]1CCOC[C@H]1OCc1ccccc1 2146524842 STRXUPRCPHJRAR-QZTJIDSGSA-N 450.764 4.522 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CC2(CC[C@H]1CBr)CC2 2154168696 SIAWRTHIWIUEEU-NSHDSACASA-N 468.560 4.724 50 10 JJGE CC(C)CN(CCBr)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2154250574 KLTYWCOBPCJICJ-UHFFFAOYSA-N 468.038 4.798 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2CCC[C@@]2(CBr)C1 2159407677 GFFKZGYKXSHIPE-MEBBXXQBSA-N 466.011 4.849 50 10 JJGE C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(CBr)cc2Cl)CN1Cc1ccccc1 2179791082 MKRHOFUFDGTJPE-QAPCUYQASA-N 471.848 4.518 50 10 JJGE Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](OCc3ccccc3)C2)cc1CBr 2186381366 OQQVKTOGYLUKIA-FQEVSTJZSA-N 452.414 4.568 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCC[C@@]1(C)CNC(=O)OC(C)(C)C 2244481437 FXDQVYYUFRKTOG-IERDGZPVSA-N 463.710 4.566 50 10 JJGE C[C@@]1(CBr)C=CCCN1C(=O)c1scc(Br)c1Br 2253428498 WXILUMCNSKVTKU-LBPRGKRZSA-N 458.013 4.829 50 10 JJGE CN(c1ncc(I)cc1Br)[C@@H](CCl)c1ccccc1 2279022817 AIYZDXSKBXCEBN-ZDUSSCGKSA-N 451.533 4.865 50 10 JJGE C[C@H]1CCC[C@](CBr)(NC(=O)c2c(F)cccc2I)C1 2282801174 HYTGKRJIRMLUPA-BONVTDFDSA-N 454.121 4.504 50 10 JJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2cccnc2)cc1 2296729404 HLSOSSAPMKMDIG-UHFFFAOYSA-N 461.525 4.722 50 10 JJGE N#CC(=Cc1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)Nc1ccc(F)cc1 2314532572 LLLTXWAXRUKYRP-UHFFFAOYSA-N 460.852 4.825 50 10 JJGE CC(C)(C)N1C[C@H](Cc2ccc(Cl)cc2I)[C@@H](Br)C1 2341033305 VDDGLMBBTQXVQH-AAEUAGOBSA-N 456.593 4.981 50 10 JJGE ClCCc1ccc(OCc2cc(I)ccc2Br)nc1 2341553608 XRTBCWCBQYBRRZ-UHFFFAOYSA-N 452.517 4.809 50 10 JJGE COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1COc1ccc(NC(C)=O)cc1 20310085 HACXFTZTJAIYGI-VULFUBBASA-N 496.361 4.759 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2C)c2ccccc23)cc1 20558719 KWBSLEHFUKMIIA-VWLOTQADSA-N 499.592 4.920 50 10 JJGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)NCc1ccccc1 33422105 FXBODIPHFOXVOE-JCMHNJIXSA-N 462.509 4.534 50 10 JJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1 38606256 ULEPJUYYGJMQBP-KOEQRZSOSA-N 496.567 4.567 50 10 JJGE CCN(c1ncnc(NNC(=O)c2ccccc2Br)c1N)c1cccc2ccccc12 40702056 KJWAQILSMWGNDM-UHFFFAOYSA-N 477.366 4.889 50 10 JJGE CC(C)(C)c1ccccc1OCC(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1 40929976 FJORVUNXEORHET-HMMYKYKNSA-N 458.514 4.785 50 10 JJGE CCCOc1ccccc1/C=C/C(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OC 40950486 OMZDBVVDMMQCAS-AHRJLONFSA-N 486.524 4.919 50 10 JJGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccccc1C#N 58891812 SSTHSOIAEGNPHM-KAECXJSPSA-N 453.542 4.830 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3F)c(OC)c2)cc1 58893325 OOFGVDLSJGQGLS-WYDFGVIMSA-N 480.536 4.776 50 10 JJGE O=C(N/N=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1cccc([N+](=O)[O-])c1 59471812 OUJSTXHRCUPOAE-QQTULTPQSA-N 469.284 4.583 50 10 JJGE C[C@H](Br)C1CCN(C(=O)c2cc(Br)sc2Br)CC1 235460871 KROAHCBYLASCHE-ZETCQYMHSA-N 460.029 4.909 50 10 JJGE CCCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 254557422 XEQXCXPZWPJGHU-UHFFFAOYSA-N 471.586 4.966 50 10 JJGE CCOc1ccc(C=NNC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc1 254568769 IPIDMQATIULAAW-UHFFFAOYSA-N 458.634 4.780 50 10 JJGE Cc1cccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)c1 254704242 DWCSOAGQXUOYIX-UHFFFAOYSA-N 488.638 4.877 50 10 JJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cccc([N+](=O)[O-])c3)cc2OC)cc1 263630571 JHRTZYDXUWFJIQ-UHFFFAOYSA-N 491.500 4.765 50 10 JJGE O=[N+]([O-])c1cc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)ccc1Cl 1614618410 YBDMHJGFDDGUGL-JKSUJKDBSA-N 456.711 4.899 50 10 JJGE C#CCC[C@H](O)CNC(=O)Nc1cc(Br)ccc1CO[Si](C)(C)C(C)(C)C 1672213347 IMMNCGIXPQRMCN-KRWDZBQOSA-N 455.469 4.867 50 10 JJGE CCOc1c(Br)cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)cc1OC 1772753974 MRURPUBXXHHCNM-UHFFFAOYSA-N 476.154 4.692 50 10 JJGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccccn2)C(C#N)=C(N)O3)cc1 1865700461 ULRMQOTXPQXGSB-XMMPIXPASA-N 463.541 4.837 50 10 JJGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(F)cc1 1865710253 SDJITUHCUTZYFN-QHCPKHFHSA-N 452.489 4.964 50 10 JJGE CCOc1cc(OCC)cc(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)c1 1865755927 XFPJLGRYFRJKIJ-UHFFFAOYSA-N 453.926 4.583 50 10 JJGE CCOC(=O)c1cnn(-c2ccc(C)cc2)c1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 1866129496 XAVLQKFZUPUANU-SFQUDFHCSA-N 479.334 4.666 50 10 JJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)Cc2cc(-c3ccccc3)on2)cc1 1866913043 MNBHAAKOYRKXJA-XMMPIXPASA-N 498.564 4.529 50 10 JJGE CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Br)c1 1984687831 QWNOGMIKOCYLAH-UHFFFAOYSA-N 461.219 4.945 50 10 JJGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2c1ncc(I)cc1Br 2069529802 UDXXAXSTVOLUAZ-CKIYVRPFSA-N 485.989 4.589 50 10 JJGE COCC12CC([C@H](Br)c3cc(Br)c(Br)s3)(CO1)C2 2085222721 PRSZCXASLJMXTA-OIKLOGQESA-N 461.013 4.905 50 10 JJGE O=C(N[C@@H]1CCC[C@H]1CCCl)c1ccc(I)c(Br)c1 2090574228 XYPFRFILZAJWJZ-TVQRCGJNSA-N 456.549 4.581 50 10 JJGE O=C(N[C@@H]1CCCC[C@H]1CBr)c1c(Br)cccc1Br 2094087709 CDGLVBVAKKXPIC-JOYOIKCWSA-N 454.000 4.895 50 10 JJGE O=S(=O)(c1ccc(Br)c(CCl)c1)N(Cc1ccccc1)C[C@H]1CCCO1 2095878753 CYVIRLYZCKEMRO-QGZVFWFLSA-N 458.805 4.558 50 10 JJGE C[C@@]1(CBr)CC(F)(F)CN1C(=O)c1cc(Br)c(Br)s1 2102795032 NRMHRIFYIYRSBJ-JTQLQIEISA-N 481.982 4.908 50 10 JJGE Clc1cc(CN2CCC3(CC2)C[C@@H]3CBr)ccc1I 2142944084 QULMASXZWZNITE-GFCCVEGCSA-N 454.577 4.942 50 10 JJGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N(C)C1CC(OCc2ccccc2)C1 2156447259 JENOQUVKDGXQFN-UHFFFAOYSA-N 472.832 4.865 50 10 JJGE Fc1cc2c(cc1I)nc(CCCl)n2CC1(Br)CCC1 2168177090 CVKBLDMFAXAXPH-UHFFFAOYSA-N 471.539 4.879 50 10 JJGE CO[C@H]1C[C@@H](Oc2c(Br)cc(CBr)cc2Br)C[C@H]1OC 2187172896 SFXQYYGOHHSIPD-YSCVYTRNSA-N 472.999 4.678 50 10 JJGE O=C(NC[C@@H]1CCCC[C@H]1CCl)c1ccc(Br)cc1I 2207268689 NDYBUHVZNAULTK-QWRGUYRKSA-N 470.576 4.829 50 10 JJGE CC1(C)[C@@H](CBr)CCN1C(=O)c1ccc(Cl)c(I)c1 2268346822 PUDABHCZOZGZRW-SNVBAGLBSA-N 456.549 4.580 50 10 JJGE COc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1 2313541057 OGRLFXLOHWGITH-UHFFFAOYSA-N 482.945 4.970 50 10 JJGE CNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C(C)C)cc1 2314593139 IAIBOLAKGBMFON-FQEVSTJZSA-N 484.419 4.745 50 10 JJGE CC(C)(C)OC(=O)N[C@@]12CCC(F)(F)C[C@@H]1CN(CCCCCI)C2 2320885244 SCLPUYPLUWYECU-RHSMWYFYSA-N 472.358 4.606 50 10 JJGE BrC[C@H]1CCN(Cc2ccc(I)c(Br)c2)C12CC2 2325232456 BPJRKWVMGMRNOO-LLVKDONJSA-N 485.001 4.803 50 10 JJGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)C=Cc2ccc(OCc3ccccc3Cl)cc2)C1 2328569309 OIUZLRWZWXGAET-OAQYLSRUSA-N 490.991 4.709 50 10 JJGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccc(F)cc2)cc1 2328822727 HUNRDAGVKXMQNC-QFIPXVFZSA-N 457.546 4.794 50 10 JJGE C[C@H](O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1I)c1cccc(OC2CC2)c1 2342606247 CVNBSQSOPQPKOX-MORSLUCNSA-N 473.351 4.728 50 10 JJGE Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C3/C(=O)N(CCC(C)C)c4ccccc43)cc12 12569851 BSNJMCSQFSNPJU-SLEBQGDGSA-N 471.586 4.922 50 10 JJGE CCCCOc1ccc(C(=O)NNC(=O)c2ccc(C)c(Br)c2)cc1Br 14041286 BZCYQBQAWWAYAB-UHFFFAOYSA-N 484.188 4.774 50 10 JJGE COc1ccc(O)c(/C=N/NC(=O)c2cc(Br)ccc2OCc2ccccc2)c1 27528081 GFXGWTHMYVLCBT-ZMOGYAJESA-N 455.308 4.506 50 10 JJGE O=[N+]([O-])c1ccc(OC[C@@H](Br)[C@H](Br)c2cccc([N+](=O)[O-])c2)cc1 33353119 NQBPCVDHXBOJGT-HUUCEWRRSA-N 460.078 4.782 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 38654419 UGYMWABGECOGEI-NRFANRHFSA-N 492.285 4.795 50 10 JJGE Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825896 GKHTXBYONRBGFQ-TWKHWXDSSA-N 456.477 4.998 50 10 JJGE COc1cc(/C=N/NC(=O)COc2cccc3ccccc23)ccc1OCCc1ccccc1 40911705 HBIZWCVDXFVVBA-VUTHCHCSSA-N 454.526 4.999 50 10 JJGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2C)cc1 100154415 CWXRBVGIDNPWGO-UHFFFAOYSA-N 492.041 4.712 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc(Br)c1OC(C)C 113854991 RUAABPPEINRWDN-NRFANRHFSA-N 495.377 4.957 50 10 JJGE CCN(Cc1ccc(Br)s1)S(=O)(=O)c1ccc(CBr)cc1 115917927 FIHVXMMHYOBMCF-UHFFFAOYSA-N 453.221 4.616 50 10 JJGE Cn1c(=O)n(C)c2cc([C@@H](Br)c3sccc3Cl)c(Br)cc21 159115734 UPRXXWHKQPGYIX-GFCCVEGCSA-N 450.583 4.839 50 10 JJGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)/C(C#N)=C\NCCc1cccc(Br)c1 217187719 GHQJITFDYFZRAI-JFPYRBRCSA-N 456.384 4.573 50 10 JJGE CNc1ccccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382734498 WEQCLEHZLLJILK-WMZOPIPTSA-N 450.320 4.516 50 10 JJGE Cc1nn(C)c2c1nc([C@@H](C)Cl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705783830 SNSPLAANZYLPKD-LJQANCHMSA-N 464.013 4.849 50 10 JJGE Clc1ccc(I)c(CN2CCS[C@@H](CCBr)C2)c1 720065729 DKOACOHOAOHBFN-LBPRGKRZSA-N 460.606 4.647 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)NCCOc2ccc3ccccc3c2)c(-c2ccccc2)n1 914466445 CLIZLXPYDNEITE-ULJHMMPZSA-N 461.525 4.719 50 10 JJGE C[C@@H](Oc1ccc(Br)cc1)C(=O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1084087062 XDVXDVWFOBCAAQ-CYBMUJFWSA-N 458.268 4.535 50 10 JJGE O=C(NN=C(/C=C\c1ccccc1)/C=C/c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 1084111433 KDOVEMDATATEFM-JPFDSOBLSA-N 458.430 4.721 50 10 JJGE C[C@@H](Oc1ccccc1Br)C(=O)NN=Cc1ccc(OCc2ccccc2)cc1 1084186159 JNFXDWMONDNTAI-QGZVFWFLSA-N 453.336 4.946 50 10 JJGE CC(=O)CCc1ccc(OCc2cccc(C(=O)NNC(=O)c3ccc(Br)cc3)c2)cc1 1321454132 GYHCJSATTZXQEF-UHFFFAOYSA-N 495.373 4.625 50 10 JJGE C=CCOc1ccc(Br)cc1NC(=O)NNC(=O)c1c(Cl)cccc1Cl 1625538506 JKKDCEDBWHTEHH-UHFFFAOYSA-N 459.127 4.787 50 10 JJGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745447 ZVZWUROXZXPSPQ-UHFFFAOYSA-N 466.881 4.872 50 10 JJGE Cc1c(C(=O)NCc2ccccc2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772749097 WPJYLKQNQZVCFS-UHFFFAOYSA-N 480.908 4.550 50 10 JJGE CCCc1ccc(OCC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 1772752400 FTLXATZFQJMXIH-UHFFFAOYSA-N 461.949 4.739 50 10 JJGE Cn1cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Br)cc1 1865699079 KHZXDDNPQWDGMN-HXUWFJFHSA-N 472.346 4.858 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1cccc([N+](=O)[O-])c1 1865706493 XWDXTRCPCQBQPK-QFIPXVFZSA-N 467.460 4.864 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1OC 1865706625 BCKHYNPVORDRTP-SFHVURJKSA-N 490.869 4.839 50 10 JJGE CCC[C@@H](NC(=O)[C@@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866696899 QIWUBPPNWAZUDU-BJKOFHAPSA-N 458.587 4.905 50 10 JJGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)CNS(=O)(=O)c3ccc(C)cc3)n2)c1 1872754669 DBFKHWPSTTWNRG-XDOYNYLZSA-N 499.614 4.687 50 10 JJGE CC[C@@H](C)[C@H](CI)NCc1ccc(I)c(Cl)c1 2026564034 PKABODMTXULTDS-RNCFNFMXSA-N 477.555 4.884 50 10 JJGE O=C(CBr)c1cc(OC(F)(F)F)c(I)c(C(F)(F)F)c1 2055119794 UXLGFNHQNJLZGQ-UHFFFAOYSA-N 476.936 4.786 50 10 JJGE C[C@@H](CCCCBr)NC(=O)c1ccc(Br)cc1I 2086152289 ZMOSPUNCLIAQFV-VIFPVBQESA-N 488.989 4.737 50 10 JJGE Cc1cc(Br)cc(CBr)c1OCc1cc(Br)n(C)n1 2111922031 CHQBQCNIPBIXPZ-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE O=C1Cc2cc([C@H](Br)c3cc(Br)sn3)c(Br)cc2N1 2120040422 QTLBCVQOPDVQTR-LBPRGKRZSA-N 466.980 4.647 50 10 JJGE C=CC[C@@](C)(CBr)CNC(=O)c1cccc(Br)c1Br 2137190786 FEMFZTQPKNIGAB-AWEZNQCLSA-N 454.000 4.919 50 10 JJGE O=C(c1cc(Br)ccc1I)N1[C@H](CCl)C[C@H]2CCC[C@H]21 2164666274 ZOOMWTZXWVBGPX-OLUVUFQESA-N 468.560 4.676 50 10 JJGE CC[C@H](Br)[C@H]1CCCCN1C(=O)c1cccc(F)c1I 2170609995 OXIPJXUZGKMXRN-WCQYABFASA-N 454.121 4.599 50 10 JJGE CN(C(=O)c1c(Br)cccc1Br)[C@H](CCBr)C(F)(F)F 2178509863 IRUYBQUKRDKGMN-SECBINFHSA-N 481.932 5.000 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@@H](Cl)C2)c1cc(I)ccc1Br 2204563645 NRKIAQBNKRKZLV-LMVZTGKYSA-N 468.560 4.580 50 10 JJGE CS(=O)(=O)C1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1 2272733651 MXFIYVGGKVVCSY-SNVBAGLBSA-N 482.966 4.503 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2F)ccc1OC(=O)c1ccc(OC)cc1 2295459581 AHKKZABPUSTHRD-UHFFFAOYSA-N 460.461 4.998 50 10 JJGE COc1ccc(OC)c(C=C(C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)c1 2297321285 JWLWFDWRYKRECH-UHFFFAOYSA-N 461.455 4.906 50 10 JJGE COc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3C)cc2)cc1 2297551503 OKHHCCFIMHYBLV-UHFFFAOYSA-N 457.442 4.677 50 10 JJGE CC(C)(CI)CN1CCC(C2(NC(=O)OC(C)(C)C)CCC2)CC1 2306822170 YMMJADBIDYSPLT-UHFFFAOYSA-N 450.405 4.607 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cc(OC)c(OC)c(OC)c2)sc2c1CC[C@@H](C)C2 2314572076 RYYDEMNYWLVSHY-CQSZACIVSA-N 484.574 4.621 50 10 JJGE O=C(Cc1ccc(Br)cc1F)N[C@@H](CCBr)COCc1ccccc1 2320362836 YFNLVQHJZXXQDK-KRWDZBQOSA-N 473.180 4.617 50 10 JJGE CCOc1ccc([C@@H](Br)c2c(Br)ncn2C)cc1Br 2337272179 GAADPFTYKGYNCQ-LLVKDONJSA-N 452.972 4.828 50 10 JJGE O=C(NCC[C@H]1CCC[C@H]1Br)c1ccc(Cl)cc1I 2340064751 RLCWASPEFUCEAN-BXKDBHETSA-N 456.549 4.628 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]([S@](C)(=O)=NC[C@@](C)(CBr)C(C)(C)C)C1 2352081475 NWKPWSRIOMKWHJ-ICUZJZPDSA-N 453.487 4.931 50 10 JJGE BrCCCN(Cc1cc(Br)ccc1Br)C1CCOCC1 2381150205 XYXYRUJTKAYYOW-UHFFFAOYSA-N 470.043 4.978 50 10 JJGE CC(C)CCOc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14033727 AWIOYXYXEZZXCO-UHFFFAOYSA-N 451.567 4.705 50 10 JJGE CCN(Cc1ccccc1)c1ccc(/C=C(/C#N)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 33676383 GTOJCJMOXQVLSF-BWAHOGKJSA-N 469.585 4.996 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@H]1c1ccc(Cl)cc1 38651307 VFLOYTMORBYISG-HSZRJFAPSA-N 450.853 4.682 50 10 JJGE CCN(c1ncnc(NNC(=O)c2ccc(Br)cc2)c1N)c1cccc2ccccc12 40702047 KDUWBJWJMZSXSL-UHFFFAOYSA-N 477.366 4.889 50 10 JJGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1Nc1ccccc1Br 40781427 LVFFALUUBYWHMF-UHFFFAOYSA-N 468.142 4.629 50 10 JJGE CCCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 48572923 NXZADWOSTCCAKS-LSHDLFTRSA-N 473.154 4.634 50 10 JJGE CCOc1ccc(NC(=O)c2ccccc2I)cc1CBr 124240676 USPLUECNGWUNGC-UHFFFAOYSA-N 460.109 4.837 50 10 JJGE C[C@@H](Br)C[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 228247134 LNCOTHJENZLKKK-RNFRBKRXSA-N 454.011 4.596 50 10 JJGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1ccc2c(c1)OCO2 252452483 LHHQQVBJOHQXTM-UHFFFAOYSA-N 450.454 4.778 50 10 JJGE CC[C@@H]1[C@@H](CBr)CCN1C(=O)c1cc(Br)c(Br)s1 385745857 VSDUUCYSXYDWTJ-VXNVDRBHSA-N 460.029 4.909 50 10 JJGE Cn1ncc([C@H](Br)c2cc(Cl)c(Br)s2)c1I 393884014 ZDHHWSFYEJTHLX-ZETCQYMHSA-N 496.393 4.986 50 10 JJGE ClCCc1nc2cc(I)ccc2n1C1[C@@H]2CN(Cc3ccccc3)C[C@@H]12 398438066 HHMNMMVWYULPAC-IAGOWNOFSA-N 477.777 4.725 50 10 JJGE CC1(C)C[C@H](Br)C[C@H](NS(=O)(=O)c2cc(Cl)c(Br)s2)C1 693842764 WRJWXTIBYKADHR-SFYZADRCSA-N 465.660 4.785 50 10 JJGE COc1cc(C=NNC(=O)c2ccccc2Br)ccc1OCc1cccc(C#N)c1 1084368288 ABXKWXXTLWGIQM-UHFFFAOYSA-N 464.319 4.672 50 10 JJGE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CCC2=NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084417725 WMVYBBWDFRHJPT-KXEAFHOWSA-N 478.505 4.851 50 10 JJGE C#Cc1cccc(NC(=S)NNC(=O)[C@H](Sc2cc(F)ccc2F)c2ccccc2)c1 1176937909 YLJCGPGPFFFDDI-OAQYLSRUSA-N 453.539 4.797 50 10 JJGE O=C(NNC(=O)c1ccc(-c2ccc3ccccc3c2)s1)c1cncc(Br)c1 1860391770 UGBYETRFTQAJJL-UHFFFAOYSA-N 452.333 4.801 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865704429 VOYTZXZXGRKIRY-QHCPKHFHSA-N 478.508 4.523 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1 1865712768 HIBKUFBDHNSUOX-KRWDZBQOSA-N 460.843 4.830 50 10 JJGE COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C#N)cc2C(=O)c2cccc(C)c2)cc1OC 1866130289 MIGXJHWRUYXZMJ-CIAFOILYSA-N 451.482 4.661 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](NC(=O)CCCc2ccc3c(c2)OCCO3)c2ccccc2)cc1 1866789443 LTGDWXDEAYGCNW-AREMUKBSSA-N 487.581 4.850 50 10 JJGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C[C@H](Br)C1 1877388919 OORLXSZVPDXJDQ-QQMNAOGKSA-N 485.422 4.839 50 10 JJGE C[C@H](CBr)CN(C)Cc1ccc(I)c(Br)c1 1904340233 WWLZSPCQNYOPDX-SECBINFHSA-N 460.979 4.517 50 10 JJGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1916365045 SBKFACAJBNMUDO-AWEZNQCLSA-N 467.212 4.594 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(Cl)ccc1Br 2061267956 MBFJNHYZFVTMAD-UHFFFAOYSA-N 469.854 4.738 50 10 JJGE C[C@@H]1CN(C(=O)c2cccc(Br)c2Br)[C@H](C)C[C@@H]1Br 2093116582 ZZFVRPIULAUSKA-LNLATYFQSA-N 454.000 4.846 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2CCC[C@H](Br)[C@H]2C1 2094587283 KBTKJPMSHAATBL-CIUDSAMLSA-N 472.040 4.909 50 10 JJGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N(C)CCCOCc1ccccc1 2123267307 FJUDWVNGMNZRFV-UHFFFAOYSA-N 460.821 4.771 50 10 JJGE Cl[C@H]1CN(c2ncc(I)cc2Br)CC12CCCCC2 2133377564 HTMABBFFJYBCDN-LBPRGKRZSA-N 455.565 4.827 50 10 JJGE CN(C[C@@H](Br)C1CCCC1)C(=O)c1cc(Cl)ccc1I 2167647336 PQFFXXIHAKXSPJ-CYBMUJFWSA-N 470.576 4.970 50 10 JJGE O=C(NC[C@]1(CCl)C[C@H]1C(F)(F)F)c1cc(Br)c(Br)s1 2192571228 AKUWCZAOQZWZER-GMSGAONNSA-N 455.521 4.810 50 10 JJGE O=C(c1ccc(Br)cc1I)N1C[C@H](Cl)CCC12CCC2 2207270656 CRKXZIJDIWMYNK-LLVKDONJSA-N 468.560 4.820 50 10 JJGE CN(C(=O)c1scc(Br)c1Br)[C@@H](CBr)CC1CC1 2219026464 BLHVWUNWMXDXNY-MRVPVSSYSA-N 460.029 4.909 50 10 JJGE CN(Cc1ccc(I)cc1)c1ncc(CCl)cc1Br 2265601625 ALBDBIGRRMBXQK-UHFFFAOYSA-N 451.533 4.824 50 10 JJGE CC(C)[C@H](Br)CN(C)Cc1ccc(I)c(Br)c1 2306221606 KFMZYBQLCQKWBM-GFCCVEGCSA-N 475.006 4.905 50 10 JJGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)C(C)=C(C#N)C1=O 2314616605 FOXSRHCAJOLTQD-LJQANCHMSA-N 490.563 4.949 50 10 JJGE COc1cc(C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314617977 DYZHOMWECAJTDV-UHFFFAOYSA-N 472.472 4.799 50 10 JJGE O=C(NN=Cc1c(O)ccc2ccccc12)c1cc(-c2ccccc2)nc(N2CCCCC2)n1 2323756586 OKVKTJTYIMHZHA-UHFFFAOYSA-N 451.530 4.757 50 10 JJGE COc1cccc(-c2csc(C(C#N)=C(O)CN3C(=O)COc4ccc(Cl)cc43)n2)c1 2331248940 IMTHFLNFERSGCA-UHFFFAOYSA-N 453.907 4.690 50 10 JJGE Clc1ccc(I)cc1CN1C[C@H]2CC(Br)C[C@@H](C2)C1 2352416966 CDFFVRHWOCGKDP-GHMZBOCLSA-N 454.577 4.940 50 10 JJGE COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br 6905697 HBMYOXKUCSKDFL-WDZFZDKYSA-N 481.100 4.674 50 10 JJGE O=C(Cc1cccc2ccccc12)NNC(=S)NC(=O)c1sc2ccccc2c1Cl 12502560 NNGJXINNFVCHFW-UHFFFAOYSA-N 453.976 4.586 50 10 JJGE Cc1ccccc1[C@H]1C(C#N)=C(N)OC2=C1S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12 20558481 ASPMTNIJJQXHQL-QHCPKHFHSA-N 473.529 4.661 50 10 JJGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1 38651574 APUDDPVSTQAZHD-QFIPXVFZSA-N 477.314 4.895 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1OC 38659430 AROKEFXHELVYDW-RUZDIDTESA-N 456.498 4.840 50 10 JJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1OC 38680831 XETOLLACUPQXMM-AREMUKBSSA-N 484.508 4.706 50 10 JJGE Cc1c(C(=O)Nc2nccs2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812917 HEVBWMFAJKPIFC-ZVHZXABRSA-N 473.352 4.530 50 10 JJGE COc1cc(CBr)cc(Br)c1OCc1c(Br)c(C)nn1C 91324726 DUQWKIDDVFWEME-UHFFFAOYSA-N 482.998 4.736 50 10 JJGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(CC)cc1 101241497 VMUHZOLUXSTMFU-YWDBVWQESA-N 485.531 4.996 50 10 JJGE O=S(=O)(NC[C@@H]1CCC[C@H]1Br)c1c(Cl)cc(Br)cc1Cl 136556445 TWMUSNNCQBGBOI-IONNQARKSA-N 466.022 4.598 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2Br)cc1Br 136948747 CUAHMNPUNZGMLT-JOYOIKCWSA-N 490.055 4.504 50 10 JJGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1ccc(SC#N)cc1 217254121 XYZPICFJYSYOKR-RAXLEYEMSA-N 460.300 4.631 50 10 JJGE CCOc1cccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)c1O 252626714 REEHCPJCDAQSBH-UHFFFAOYSA-N 474.586 4.740 50 10 JJGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=Cc1ccc(O)cc1 254381651 UVVWUNXKEVMLIM-UHFFFAOYSA-N 466.613 4.932 50 10 JJGE O=S(=O)(NC[C@@H]1CCC[C@@H](CBr)C1)c1cc(Cl)c(Br)s1 312730196 VXRVWYJWBNDXFG-RKDXNWHRSA-N 465.660 4.644 50 10 JJGE CC[C@H](Br)[C@@H](CC)NS(=O)(=O)c1cc(Br)c(C)cc1Br 313116400 OKHQMFLHACCXRH-JOYOIKCWSA-N 492.071 4.750 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H]2CC[C@H](Br)C[C@H]2C1 398749492 VIEGCIRUVCNQLD-DLOVCJGASA-N 466.011 4.847 50 10 JJGE CCOC(=O)/C(C#N)=C1/C(=C\c2ccc(C(=O)OC)cc2)/CC/C1=C\c1ccc(C(=O)OC)cc1 575418837 QJGQZEVTVRLXHU-VSMFOWEFSA-N 471.509 4.904 50 10 JJGE COc1ccc(SCC(=O)NN=Cc2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1 1083940654 GQEBXVGCTCFIEI-UHFFFAOYSA-N 471.966 4.697 50 10 JJGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1C(=NNC(=O)c1ccncc1)CCC2 1772746700 YVFSPMHSQSKTOY-HNNXBMFYSA-N 460.509 4.574 50 10 JJGE COc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1cccc(C)c1 1772760486 RGLCMSBUFWZVES-UHFFFAOYSA-N 460.559 4.701 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1865680260 FGOAGOCBCYYZAI-NRFANRHFSA-N 456.889 4.822 50 10 JJGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1cccc(Br)c1 1865683217 AOBRFVFWJRQHNI-SFHVURJKSA-N 451.324 4.559 50 10 JJGE CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1 1865684121 UDBXPTLZBKCYNM-SFHVURJKSA-N 473.886 4.888 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)c1OC 1865700748 CRSJZAQOBSDCMN-KRWDZBQOSA-N 490.869 4.839 50 10 JJGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865701616 ZPGFNGHPJGFZNN-FQEVSTJZSA-N 450.926 4.714 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc(Cl)c1O 1865707084 NKJUVKKRQWWNRB-KRWDZBQOSA-N 490.869 4.844 50 10 JJGE Clc1cc(CNCCCCCI)ccc1I 1995480859 DXJRQIYGWIYSQC-UHFFFAOYSA-N 463.528 4.640 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)c2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1 2042446321 AXWYELCSWYIKDU-UHFFFAOYSA-N 456.498 4.901 50 10 JJGE O=C(N[C@@H](CBr)c1cscn1)c1csc(Br)c1Br 2055474532 MWBNZEOTWCJYQM-LURJTMIESA-N 475.025 4.596 50 10 JJGE C[C@@H]1CCN(C(=O)c2cccc(Br)c2Br)C[C@@H]1CBr 2092332934 LKTMEIXDZTWRIP-ZJUUUORDSA-N 454.000 4.705 50 10 JJGE O=C(NCC[C@@H]1CCCC[C@H]1Cl)c1ccc(Br)cc1I 2207261127 KCXVHHIUMMSXRT-GXFFZTMASA-N 470.576 4.971 50 10 JJGE CC[C@@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@H]1CBr 2295314271 VXONYYFULQLSPQ-VXGBXAGGSA-N 468.027 4.634 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2sccc2C(=O)OC)cc(Br)c1OCC 2295669956 QTYASKZCKVVZGX-UHFFFAOYSA-N 479.352 4.640 50 10 JJGE CCC(=O)N1CCN(C(=O)C(C#N)=C2SC=C(c3ccc(F)cc3)N2c2cccc(Cl)c2)CC1 2297484750 LXMHGQDQYCCBSU-UHFFFAOYSA-N 496.995 4.847 50 10 JJGE O=S(=O)(N[C@H](CCCl)COCc1ccccc1)c1ccc(Cl)c(Br)c1 2320659569 DYEGMNNCUKOMFI-CQSZACIVSA-N 467.212 4.595 50 10 JJGE COc1cc(OC)c(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 12577480 ZQKXUBWMHXNQOE-FAJRRQPCSA-N 476.154 4.691 50 10 JJGE CC(C)c1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 14040224 YAGJBQDJYKCDNH-MRXNPFEDSA-N 485.378 4.719 50 10 JJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cccc(OCCOc2ccccc2)c1 14040905 KMCBSQRAFWPBHD-MRXNPFEDSA-N 489.355 4.680 50 10 JJGE N#C/C(C(N)=O)=C1\S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1 16758865 OUFVOXJZNMNXNY-TWQQJCIXSA-N 497.201 4.667 50 10 JJGE COc1ccc(CC(=O)Oc2ccc(/C=C(/C#N)c3ccc(OC)c(OC)c3)cc2OC)cc1OC 31902105 BOVIAADEWPJHJI-MTJSOVHGSA-N 489.524 4.942 50 10 JJGE N#C/C(=C/c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc2ccccc2s1 35519510 CCYHXCOFPGIHKC-ZROIWOOFSA-N 463.500 4.743 50 10 JJGE Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1 39858880 PIOKGHJMMQMDBV-VKAVYKQESA-N 456.889 4.994 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(/N=N/c3ccccc3)cc2)c1[N+](=O)[O-])c1ccccn1 40645909 ONCXCWDTWCXSBE-BYYHNAKLSA-N 455.438 4.696 50 10 JJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OC(C)C)c(OC)c2)c(OCC)c1 40950624 KWDMEYQQAXBYIF-XFSMVHDFSA-N 479.529 4.970 50 10 JJGE N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 96438628 ICRNCUBYWOOKJO-UCQKPKSFSA-N 462.509 4.550 50 10 JJGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1OCC 206693049 MOQUMXINGPNWQO-WAQMNQRUSA-N 486.524 4.919 50 10 JJGE CCCOc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OCC)cc2)cc1 252589134 AHHBFTIUDDHECY-DRQZQUMZSA-N 471.557 4.795 50 10 JJGE COc1ccc(CCCC(=O)NCC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1 252622842 ODXYRKIITXOYQZ-UHFFFAOYSA-N 495.023 4.654 50 10 JJGE COc1cccc(C=NNC(=O)c2ccc(Cl)cc2Cl)c1OS(=O)(=O)c1ccccc1 252638085 XZEKJFIJQQGKCY-UHFFFAOYSA-N 479.341 4.534 50 10 JJGE COc1ccc(CCC(=O)NN=C(C)c2cccc(NC(=O)c3ccc(Br)o3)c2)cc1 254841575 WSKMIXZVQPKJAU-UHFFFAOYSA-N 484.350 4.776 50 10 JJGE CCn1c(=O)oc2cc([C@H](Br)c3sccc3I)ccc21 383866630 VWLJXKVTBSZLEY-LBPRGKRZSA-N 464.122 4.765 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1C[C@@H]2CC[C@H](Br)C[C@H]2C1 398744009 QZXZGEPRVFFTFU-DCAQKATOSA-N 468.560 4.580 50 10 JJGE O=C(NC[C@H]1CCC[C@@H](Cl)C1)c1ccc(I)c(Br)c1 721614243 ADVQGYLPPQXHOY-GXSJLCMTSA-N 456.549 4.581 50 10 JJGE C[C@H](NC(=O)NNC(=O)c1cccc2cccnc12)c1ccc(OCc2ccc(F)cc2)cc1 728752673 QTNAOMDHHLLFOH-KRWDZBQOSA-N 458.493 4.658 50 10 JJGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc(OC)c1OCC(=O)O 1083871257 VEVJPDRLBSPEBY-OVCLIPMQSA-N 461.301 4.740 50 10 JJGE O=C(CSCc1ccccc1Cl)NN=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 1084041501 RXERRWHALXJLAW-UHFFFAOYSA-N 494.960 4.549 50 10 JJGE COc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c(OC)c1 1084186259 DGBJRXOUSOMPPQ-UHFFFAOYSA-N 489.359 4.507 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@@H](c2cc(Br)cc([N+](=O)[O-])c2)C1 1614642051 KMXVOHNMTGSZLR-BXUZGUMPSA-N 464.154 4.703 50 10 JJGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(-c3ccccc3)ccc2Cl)cc1 1671418039 CXGSRTCVEMTCCT-MRXNPFEDSA-N 451.910 4.830 50 10 JJGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCCc2ccccc2)c(OC)c1 1865688710 YVZUGJZZHMYRCJ-DEOSSOPVSA-N 458.562 4.704 50 10 JJGE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865692914 JTRBJDXPJUTDMU-RUZDIDTESA-N 463.541 4.935 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)cc1OC 1865694844 CXZUHDTUENRBMS-NRFANRHFSA-N 450.926 4.714 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865707627 BMLYBVWBDOHTQF-QHCPKHFHSA-N 468.488 4.670 50 10 JJGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865707633 BSMQBGUEGVCPBI-OAQYLSRUSA-N 468.916 4.522 50 10 JJGE CC(C)(NC(=O)CCc1nc(-c2ccc(F)cc2)cs1)C(=O)Nc1ccc(SC#N)cc1 1867065778 ABLPPPFPQUQMGL-UHFFFAOYSA-N 468.579 4.988 50 10 JJGE O=C(N[C@H](CSCC1CC(Br)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1883577364 PCGBNASGCKLYOX-ZGDBYOLNSA-N 490.419 4.885 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)Cc1ccc(OCc2ccccc2)cc1 1886870731 DRBDMUKCUPVJKX-IBGZPJMESA-N 450.332 4.868 50 10 JJGE C[C@H]([C@H](Br)c1ccc(OCc2ccccc2)cc1Br)S(C)(=O)=O 1899858701 HOYFRRRGEBDWBY-PXAZEXFGSA-N 462.203 4.897 50 10 JJGE Clc1c(Br)ccc(CBr)c1-n1cc(I)cn1 1939329385 KXLMUKVYMOOHME-UHFFFAOYSA-N 476.337 4.788 50 10 JJGE CN(C(=O)c1cc(Br)sc1Br)[C@@H](CCBr)C(F)F 2058233797 LDYRXGKYFGMLME-LURJTMIESA-N 469.971 4.764 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2CC[C@@]2(CBr)C1 2078147734 PIRWKKATKQMLSR-JVXZTZIISA-N 458.013 4.520 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1[C@H](CBr)C[C@@H]2CCC[C@H]21 2164656154 KISJIHKLWDZIJV-NURSFMCSSA-N 466.011 4.990 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CC[C@H](CBr)C12CCC2 2190362013 AFDAKRWZJMQZPT-SNVBAGLBSA-N 468.560 4.724 50 10 JJGE FC(F)[C@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(Br)cnc21 2193242687 HPOFXLCDPLOJEL-HOCLYGCPSA-N 455.734 4.871 50 10 JJGE BrCc1cc(Br)cc(Br)c1OC[C@]12COC[C@H](C1)C2 2228083226 JGPJYMSLDBINQW-KMHCFJFGSA-N 454.984 4.912 50 10 JJGE CC[C@H](C)[C@@H](CI)NC(=O)c1cc(Br)c(F)cc1Cl 2270438119 NZMPZCCQLCYUGD-JVXZTZIISA-N 462.528 4.821 50 10 JJGE Cl[C@@H]1CCC2(CCN(c3ncc(I)cc3Br)CC2)C1 2272384900 PENJUPALLNYJIS-SNVBAGLBSA-N 455.565 4.827 50 10 JJGE C[C@@](CI)(OC[C@]12C[C@](C)(CO1)C2)c1ccccc1Br 2280971130 IIRQGWAPTWPBIF-HRCADAONSA-N 451.142 4.685 50 10 JJGE CCOC(=O)C(C#N)=Cc1ccc(OCCOc2ccc(Br)cc2)c(OCC)c1 2293993137 JUBFYWTZHBDPSG-UHFFFAOYSA-N 460.324 4.776 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)NCC[C@@H]1CCC[C@H]1Br 2295307107 FNYHHMGELMIIBP-SMDDNHRTSA-N 468.027 4.824 50 10 JJGE CC(C)[C@H]1[C@H](Br)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2295312205 VBQLKYZPRBGUIQ-HIFRSBDPSA-N 468.027 4.775 50 10 JJGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C)cc3C)nc3c(C)cccn3c2=O)cc1 2296545350 JPBKDBUGTQVZLO-UHFFFAOYSA-N 480.524 4.966 50 10 JJGE C[C@@H](Br)CN(Cc1ccc(I)c(Br)c1)C1CC1 2306225133 VESKEFZNZAMJRL-SECBINFHSA-N 472.990 4.802 50 10 JJGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)C(C)=C(C#N)C1=O 2314617102 QRVLXPYJWIBKLW-UHFFFAOYSA-N 464.525 4.635 50 10 JJGE COC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(-c3ccc(C)cc3)cc2)c(OC)c1 2314730559 FPVSHDTWJHBNEP-UHFFFAOYSA-N 457.482 4.735 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccccc1Cl 2314753149 BHAWIVLPSRPTLT-UHFFFAOYSA-N 450.878 4.774 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CSc2nc3ccccc3[nH]2)cc1C 2321683299 MSBVYVMTLZCWOF-UHFFFAOYSA-N 496.596 4.975 50 10 JJGE Cc1[nH]c2ccccc2c1C=NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 2323651897 RKPYIWQXGWWEBW-UHFFFAOYSA-N 453.329 4.757 50 10 JJGE FC1(F)C[C@H](CBr)N(Cc2ccc(I)c(Br)c2)C1 2325228664 JNTOWXWJFQXWDG-SECBINFHSA-N 494.943 4.658 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2CCOc3ccccc32)C1 2340296327 HUXKEBBWYLRRFB-FXAWDEMLSA-N 473.351 4.732 50 10 JJGE CC1(C)CC(CBr)(CN2CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)C1 2371149616 VGBKQCNYCXWQMC-KGLIPLIRSA-N 457.375 4.965 50 10 JJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccccc1-c1ccccc1 13979945 HCDYGNCLJWSCEL-HNNXBMFYSA-N 459.329 4.654 50 10 JJGE O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1OCCOc1ccccc1 14040559 SCXDKOYIMXRXHB-UHFFFAOYSA-N 466.537 4.738 50 10 JJGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc21 38650499 DMAOAPKSLJTCBM-RUZDIDTESA-N 476.916 4.941 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@@H]1c1ccc(Br)cc1 38651827 QHIQUUXKECERMS-QHCPKHFHSA-N 461.315 4.815 50 10 JJGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OC)c1OC 38659010 ONMREGNQMKCVMD-RUZDIDTESA-N 486.524 4.930 50 10 JJGE CCOc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40812985 FDPYYMFAQGSSPI-ZXVVBBHZSA-N 476.489 4.618 50 10 JJGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 40845281 XGQKGFFPKAWUBC-UHFFFAOYSA-N 461.946 4.802 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 40869974 STNBDBOZPZPNJL-WOJGMQOQSA-N 491.887 4.699 50 10 JJGE COc1cc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 101339787 YLMWIZISTBOWPC-SRZZPIQSSA-N 488.540 4.641 50 10 JJGE C[C@@H]1CCC[C@@](CBr)(NS(=O)(=O)c2cc(Cl)c(Br)s2)C1 136579071 LLPGLTJIWLBYCB-PRHODGIISA-N 465.660 4.786 50 10 JJGE CC(C)C[C@H](CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 136935290 GQDLKCGBKHADGV-SECBINFHSA-N 468.038 4.844 50 10 JJGE CC(=NNC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)c1ccc2ccccc2c1O 254382567 DOTKYLKOGUCOSW-RTBURBONSA-N 473.573 4.868 50 10 JJGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cnn(C)c1I 381895170 KLPGUXFECQBKRP-GFCCVEGCSA-N 499.972 4.589 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2cc(F)ccc2Br)C1 382698328 YREGCCPHXXCCBD-ZWNOBZJWSA-N 484.147 4.974 50 10 JJGE O=C(CBr)c1cc(I)c(Br)cc1C(F)F 575683689 CKYPGSSZBUXMEM-UHFFFAOYSA-N 453.846 4.569 50 10 JJGE C[C@@H]1CC[C@@H](CCl)CN1C(=O)c1cc(I)ccc1Br 688696140 LMVVEVJCDAYYOS-ZJUUUORDSA-N 456.549 4.533 50 10 JJGE CCOc1ccc([C@@H](Br)c2cn(C)c(Br)n2)c(Br)c1 698451510 RCFSEWMTOWFAAW-GFCCVEGCSA-N 452.972 4.828 50 10 JJGE COc1ccc(Oc2cc(CCl)c(Br)cn2)cc1I 712924827 HMSNYAUVWAKNQJ-UHFFFAOYSA-N 454.489 4.988 50 10 JJGE C[C@H](CNC(=O)c1ccc(I)c(Br)c1)C[C@@H](C)Br 721615538 RMERBPYPKSUWGI-DTWKUNHWSA-N 488.989 4.593 50 10 JJGE C[C@@]1(CBr)CCCCN1C(=O)c1ccc(Br)cc1Br 723011948 KMAHCVAYBLRZMO-AWEZNQCLSA-N 454.000 4.991 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)NCc2cc(Br)ccc2F)c(-c2ccccc2)n1 914497160 DDZVMZMMMRONAX-GZTJUZNOSA-N 478.325 4.589 50 10 JJGE CC(=NNC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccccc2)cc1 1084069325 UOBRAVNONHIOGS-UHFFFAOYSA-N 462.531 4.621 50 10 JJGE COc1cc2ccccc2cc1C(=O)NN=C1C(=O)N(Cc2ccccc2F)c2ccccc21 1084592689 SOVVZVNKWCUGHK-UHFFFAOYSA-N 453.473 4.668 50 10 JJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865683179 IAQNTGKRHCIQHA-VWLOTQADSA-N 493.567 4.841 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1C[C@H](CBr)C2(CCC2)C1 1914491927 KVYDFGBMVQHBLU-JTQLQIEISA-N 468.560 4.582 50 10 JJGE O=S(=O)(c1ccc(CBr)cc1Br)N(Cc1ccccc1)C1CC1 1984660660 JBQBMRGSYYIDMA-UHFFFAOYSA-N 459.203 4.697 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2065400865 BSVRPYRXNOFWKU-JIGDXULJSA-N 458.013 4.519 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNc1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2125294995 ZCPPPSZUANNVIP-UHFFFAOYSA-N 498.715 4.880 50 10 JJGE CC(C)(CCl)[C@@H]1CCCN1C(=O)c1ccc(I)c(Br)c1 2155824566 NBTWVYBUEZKQTI-ZDUSSCGKSA-N 470.576 4.923 50 10 JJGE Cn1nc(CC(CBr)(CBr)c2cccc(F)c2)cc1Br 2168213847 YXCYMCMMPTYYHZ-UHFFFAOYSA-N 468.990 4.592 50 10 JJGE CC1(C)C[C@H](Br)CCN1c1ncc(C(F)(F)F)cc1I 2169883605 NDSWLNFXZQTKJH-SECBINFHSA-N 463.079 4.847 50 10 JJGE CC[C@H](Br)[C@@H]1CCCCN1C(=O)c1cccc(C)c1I 2170618022 YBPGBAZECPQYKH-KBPBESRZSA-N 450.158 4.768 50 10 JJGE COc1ccc(C(=O)N[C@H](C)CCCCCI)cc1Br 2174527036 OXABWHLHFHECQE-LLVKDONJSA-N 454.146 4.571 50 10 JJGE C[C@@H]1CCC[C@](CCl)(NC(=O)c2ccc(Br)cc2I)C1 2207269331 QJXWTSQABVSMSS-BMIGLBTASA-N 470.576 4.971 50 10 JJGE C[C@@H]1C[C@H](Cl)[C@@H](C)N(C(=O)c2cc(Br)ccc2I)C1 2227619360 MRLHYEQUOLQONL-LNLATYFQSA-N 456.549 4.532 50 10 JJGE O=C(COc1ccc(Cl)cc1Cl)NN=Cc1ccc(OC(=O)C=Cc2ccco2)cc1 2297451148 ZTLCBGZNHONBPX-UHFFFAOYSA-N 459.285 4.734 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccccc1OCc1ccc(C)cc1 2328821181 YRVAFZZSGAYGTG-CVDCTZTESA-N 453.583 4.964 50 10 JJGE O=S(=O)(CCCOCc1ccccc1)Nc1cc(CBr)ccc1C(F)(F)F 2370271350 IQWFTLCNDKSXMX-UHFFFAOYSA-N 466.319 4.949 50 10 JJGE COc1ccc(CCn2c(C)cc3c(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 2218568 WCDNQKHLWITHGH-RUZDIDTESA-N 455.558 4.750 50 10 JJGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)cc1 38651186 UJNJHBHRIQYHLA-DEOSSOPVSA-N 462.889 4.551 50 10 JJGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1 38687140 PBTFMHMZEFMTCW-IZZNHLLZSA-N 482.536 4.948 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1 38701350 XMKQDBVBORSYSB-RUZDIDTESA-N 480.476 4.629 50 10 JJGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1Nc1ncc(C(F)(F)F)cc1Cl 40793538 KDTPQRUKMJTJGF-UHFFFAOYSA-N 492.676 4.933 50 10 JJGE CCCO[C@@H]1[C@@H](Br)C[C@H]1Oc1cc(Br)c(OC)cc1Br 300470688 JRRJMNRYLWLTTG-ZLKJLUDKSA-N 472.999 4.930 50 10 JJGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@H]1CC(CCl)C2 719233146 ZAGGLBYJLPVEKQ-RYUDHWBXSA-N 468.560 4.676 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)c(-c2ccccc2)n1 914763464 DAIKDKXDKNZJIK-JWGURIENSA-N 487.523 4.657 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1cccc(Br)c1 1083886644 WRWVACPMQMVUKC-UHFFFAOYSA-N 473.758 4.599 50 10 JJGE COc1cc(C=NNC(=O)c2cccc(Br)c2)ccc1OCc1ccccc1F 1084414250 LWKSVIKGSHMXLU-UHFFFAOYSA-N 457.299 4.940 50 10 JJGE CSc1ccc(C=NNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 1084459881 BUUGBCUFISMIQF-RUZDIDTESA-N 461.612 4.947 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cc(F)ccc2[N+](=O)[O-])C1 1614694061 HNISCQZJXMBSMI-PBHICJAKSA-N 484.265 4.521 50 10 JJGE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc([N+](=O)[O-])c2)CCC3)c1 1772745908 KGUOMPHEKMAPPV-UHFFFAOYSA-N 460.490 4.836 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)cc1O 1865681189 HFRAWCRSBQNFGI-QFIPXVFZSA-N 470.916 4.881 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](NC(=O)[C@@H]2CCCN2Cc2ccccc2F)c2ccccc2)cc1 1866916425 CACWDTHKGVHFHT-LOSJGSFVSA-N 488.588 4.859 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)c(OC)c1 1872755583 UZXCYONBKYKSTG-SILNSSARSA-N 468.447 4.902 50 10 JJGE CC(C)Oc1ccc(/C=C(/C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)c2ccccc2)cc1 1873777958 XQMJWDJOEOPINT-BMBTXRBNSA-N 484.600 4.791 50 10 JJGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C(F)(F)F 1892593981 TYVNUGSHDVSSHC-XQQFMLRXSA-N 475.346 4.853 50 10 JJGE O=C(c1scc(Br)c1Br)N1CCC(CI)CC1 1949197737 NVUHWDMOYGAKMQ-UHFFFAOYSA-N 493.002 4.560 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 1985351299 CQADEKGJZZILLW-IRXDYDNUSA-N 463.710 4.566 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2C[C@H](C[C@H]2Br)C1 2045147080 OAQGDTNYMJDXAG-BKPPORCPSA-N 458.013 4.519 50 10 JJGE O=C(CBr)c1ccc(I)c(C(F)F)c1OC(F)(F)F 2060392492 QKMPFZWYOJNUKN-UHFFFAOYSA-N 458.946 4.705 50 10 JJGE CN(CC(C)(C)CBr)C(=O)c1ccc(Br)cc1I 2086144838 FLNCJAOFHNQKFB-UHFFFAOYSA-N 488.989 4.547 50 10 JJGE C[C@@H](Br)[C@@H]1CCCCN1C(=O)c1c(Br)cccc1Br 2094096286 WINUQAGBZHEYSC-SKDRFNHKSA-N 454.000 4.990 50 10 JJGE CC1(C)CC[C@@H](Br)CN1C(=O)c1cc(Cl)ccc1I 2099879782 ONGSQUUEGGVCEO-SECBINFHSA-N 456.549 4.723 50 10 JJGE C[C@@H]1C[C@H](CBr)CCN1C(=O)c1cccc(Br)c1Br 2115829615 DALKRTQOKUVUQB-NXEZZACHSA-N 454.000 4.847 50 10 JJGE CN([C@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1csc(CBr)c1 2123237924 RVQISYISVHRYRT-ZWKOTPCHSA-N 458.443 4.647 50 10 JJGE BrCC(CBr)(COC[C@@H]1CCCO1)c1ccc(Br)cc1 2149033257 DRHRQPXJYHAKLU-AWEZNQCLSA-N 471.027 4.672 50 10 JJGE Cc1csc(CBr)c1S(=O)(=O)N1CCCC[C@H](N(C)Cc2ccccc2)C1 2179814838 IDMOPLOANFXGQX-SFHVURJKSA-N 471.486 4.627 50 10 JJGE Cc1sc(CBr)cc1S(=O)(=O)N(C)Cc1cscc1Br 2179824995 BKAURTONYHQMDH-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE Fc1ccccc1[C@H](CI)OCCOCCOCCOCc1ccccc1 2236087819 ACPAOCOOKDJNNG-NRFANRHFSA-N 488.337 4.568 50 10 JJGE C[C@H]1C[C@@H](Br)CCN(C(=O)c2ccc(Cl)c(I)c2)C1 2268353188 RWVLEAOLSRKJMT-ONGXEEELSA-N 456.549 4.580 50 10 JJGE CCn1ncc(Br)c1[C@@H](Cl)c1ccc(OC)c(I)c1 2269534768 RGSTZTSVKJBPLR-LBPRGKRZSA-N 455.521 4.607 50 10 JJGE C[C@]1(CNC(=O)c2cc(Br)ccc2Br)CCC[C@H]1Br 2271297525 BHNALXMMYFEAIY-TZMCWYRMSA-N 454.000 4.895 50 10 JJGE O=S1(=O)CCC[C@@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272854376 PLGPFXDNQDIASF-APPZFPTMSA-N 482.966 4.503 50 10 JJGE CC(C)[C@@H](Cl)C(=O)N1CCC(c2nc(-c3cccnc3)cc(=Nc3cccc(F)c3)[nH]2)CC1 2296578314 QTAXTRBONHUEQZ-HSZRJFAPSA-N 467.976 4.813 50 10 JJGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2296834974 IFGMCQPCSDIBKI-DEOSSOPVSA-N 471.557 4.877 50 10 JJGE C[C@@H]1OCC[C@]1(CBr)Cc1ccc(I)c(Br)c1 2306232453 VANDJJXLGDBXTD-TVQRCGJNSA-N 473.974 4.786 50 10 JJGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCC(=O)O 2313570623 BIGQFXZDBQONAF-UHFFFAOYSA-N 461.301 4.740 50 10 JJGE CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC 2313738939 ZZUSCROMGUGXLU-UHFFFAOYSA-N 480.702 4.964 50 10 JJGE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(F)cc2)c1C 2314531839 FGUBMTBNRDMAIZ-UHFFFAOYSA-N 454.461 4.788 50 10 JJGE CC(C)(C)OC(=O)NCC[C@@H]1CCN(CCCCI)[C@@H](C(F)(F)F)C1 2315834778 QGOKNHJVQCMIHX-ZIAGYGMSSA-N 478.337 4.759 50 10 JJGE CCN(C[C@](C)(CI)OC[C@@H]1C[C@H]2[C@@H](C1)C2(F)F)C(=O)OC(C)(C)C 2320758217 LNRPMAJCNXRGJP-LOUJCGABSA-N 473.342 4.745 50 10 JJGE N#CC(=CNCCc1ccccc1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609818 PALYTSUYTYOCDD-UHFFFAOYSA-N 485.031 4.813 50 10 JJGE C[C@H]1C[C@H](C(F)(F)F)N(CC(C)(C)CI)CCN1C(=O)OC(C)(C)C 2326669886 QZGODPHSWRVPGE-QWHCGFSZSA-N 478.337 4.710 50 10 JJGE CS(=O)(=O)Nc1ccc(C(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 2331279256 BZUSMXGUECBBMF-UHFFFAOYSA-N 476.377 4.894 50 10 JJGE COc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc(OC)c1O 2331492783 OUIMHJAHINYKOY-UHFFFAOYSA-N 454.504 4.623 50 10 JJGE O=C(NCC(F)(F)C(F)(F)CI)c1cccc(Br)c1Cl 2361680204 VBAMNEMTKWVBKB-UHFFFAOYSA-N 488.444 4.538 50 10 JJGE CC(C)(C)OC(=O)NCC[C@@H]1CCN(C[C@@H](Br)C(F)(F)F)[C@H](C(F)(F)F)C1 2362812579 CORMPEFUEYMGCP-UTUOFQBUSA-N 471.280 4.870 50 10 JJGE Cc1ccc(-c2csc3[nH]c(SCC(=O)N/N=C/c4ccc(Cl)cc4)nc(=O)c23)cc1 2613882 VVPSZPRWXIKMMW-YSURURNPSA-N 468.991 4.856 50 10 JJGE O=C(NC1CCCCCC1)[C@H](c1ccc(F)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)CCl 3038722 CQVJERHUHPHHDP-DEOSSOPVSA-N 474.960 4.702 50 10 JJGE CC(=O)N(c1nc(/C=C/C(=O)NNC(=O)Cc2cccc3ccccc23)cs1)c1ccccc1F 9894375 CZRANPLWPVMWDC-BUHFOSPRSA-N 488.544 4.523 50 10 JJGE CC(C)c1ccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 10453115 IOVPWNSRDWQDFF-UHFFFAOYSA-N 468.406 4.612 50 10 JJGE COc1cc(OC)c(/C=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1Br 12577333 BAAPXJZSNCJLDU-VULFUBBASA-N 496.361 4.791 50 10 JJGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(C(C)(C)C)cc1 14033075 RSYXTMBEJNKFFB-UHFFFAOYSA-N 455.624 4.893 50 10 JJGE CCCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 33396578 XZCJUXFDBBEXSP-RIYZIHGNSA-N 460.284 4.700 50 10 JJGE O=S(=O)(Nc1ccc(Br)cc1Br)c1ccc(CCCl)cc1 37843129 OVMCRRNNGXQRLD-UHFFFAOYSA-N 453.583 4.794 50 10 JJGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccccc1)CCC2)c1cccc(C)c1 40816171 FVMCMRNJXWAPDL-XAYXJRQQSA-N 459.546 4.799 50 10 JJGE COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2C)ccc1OCCc1ccccc1 40911689 FBKVAGOELBVJPX-JVWAILMASA-N 452.938 4.808 50 10 JJGE CC1=C(C(=O)N/N=C/c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 59384944 YQCXBZPVHHMHIM-OYCFWJGQSA-N 453.782 4.590 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CCC[C@H](CCBr)C1 125104564 IFUPODJHMLGXTJ-MRVPVSSYSA-N 460.029 4.910 50 10 JJGE CC(C)COc1ccccc1/C=N/NC(=O)c1cc(-c2ccccc2)nc(N2CCCCC2)n1 169927444 NQTMFBNTCRPIRY-MTDXEUNCSA-N 457.578 4.933 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N(CCCBr)C1CCC1 232350794 DZSXBFPBGGULES-UHFFFAOYSA-N 456.549 4.724 50 10 JJGE O=C(NN=Cc1ccc(Cl)cc1Cl)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 252611211 IHSRJZAGZHUYPR-RQZJYPFKSA-N 482.323 4.643 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=C/C=C/c3ccccc3)n2-c2ccccc2)cc1OC 254699763 YUVXEGWWCPOHCI-FCEYSVACSA-N 499.596 4.859 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2cccc(C)c2)cc1 254873207 KSTIWFZUIYCCIH-UHFFFAOYSA-N 481.556 4.725 50 10 JJGE CC1(C)CN(C(=O)c2ccc(Br)cc2Br)CC[C@@H]1Br 306090405 LMWUBFXDGPSVTN-LBPRGKRZSA-N 454.000 4.847 50 10 JJGE BrCc1ccc(N2CC[C@H](N3CCN(Cc4ccccc4)CC3)C2)c(Br)c1 312662389 MKCGDRLREAOBLL-FQEVSTJZSA-N 493.287 4.741 50 10 JJGE CC[C@H](C)[C@H](CO[C@@](C)(CI)CN(CC)C(=O)OC(C)(C)C)OC 384794909 XKOXAGKGPAEGEJ-MPGHIAIKSA-N 457.393 4.515 50 10 JJGE C[C@@H](CBr)[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1I 696708856 DTKKZMBIILABDR-HZMBPMFUSA-N 470.576 4.970 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C2CCC1(CBr)CC2 723029384 YROTZZIHYXRKEY-UHFFFAOYSA-N 458.013 4.805 50 10 JJGE CC(=O)Nc1ccc(O)c(C(C)=NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1 915941907 DHTKMMUVHPYIPD-UHFFFAOYSA-N 451.910 4.737 50 10 JJGE O=C(NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cc2ccccc2cc1O 1083856804 YOWUYMJPWGIXJZ-UHFFFAOYSA-N 472.413 4.918 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3F)c(OC)c2)cc1 1084038294 OOFGVDLSJGQGLS-XMMPIXPASA-N 480.536 4.776 50 10 JJGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1C 1084399738 SIQKKBQLGILWNW-ZVBGSRNCSA-N 457.486 4.653 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)cc1 1084411547 HRGNRQGLHSEJRR-XMMPIXPASA-N 462.546 4.637 50 10 JJGE COC(=O)c1ccc2nc(NC(=O)CO/C([O])=C3/Sc4ccccc4[C@H]3Cl)sc2c1 1085291740 PSCVNJANAFIBBJ-MRXNPFEDSA-N 461.928 4.723 50 10 JJGE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NNc2ccccc2F)c1 1151564277 DELJKABYZVNEGA-UHFFFAOYSA-N 459.930 4.617 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@@H](c2ccc([N+](=O)[O-])cc2Br)C1 1614643485 REHSTCGZONTKMT-MFKMUULPSA-N 464.154 4.703 50 10 JJGE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1cc(Cl)ccc1Br 1637803889 ZPCILPQPZRHHST-CYBMUJFWSA-N 453.164 4.582 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccccc2)C(C#N)=C(N)O3)cc1 1865680461 LQMZSZSINQRLFF-QHCPKHFHSA-N 452.489 4.964 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccccc1C(=O)O 1865704176 PJQVQZZHNLGWAS-JOCHJYFZSA-N 466.472 4.654 50 10 JJGE CC(C)NCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@@H]1Br 1887832119 AEHJFZVXZZSTIF-JQWIXIFHSA-N 456.016 4.872 50 10 JJGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)C[C@@H](C)Br)sc1Br 1914631765 ATIGNRKEWBLMLM-GFCCVEGCSA-N 467.248 4.793 50 10 JJGE CCC[C@@H](Br)CCNC(=O)c1ccc(I)c(Br)c1 2029914342 NLCIBHARBWUZRA-SNVBAGLBSA-N 488.989 4.737 50 10 JJGE Cn1ncc([C@H](Cl)c2cc(Br)c(Cl)cc2F)c1I 2036581106 YEGXOFGQAOMNGS-SNVBAGLBSA-N 463.903 4.908 50 10 JJGE CCOc1cc(C=C(C#N)S(=O)(=O)c2ccc(Br)cc2)cc(Br)c1O 2040837704 SEWRYUNVNHRCAU-UHFFFAOYSA-N 487.169 4.654 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CC[C@H](Br)[C@H]2CC[C@H]21 2069994148 WTBKURWPNVCOLF-BWVDBABLSA-N 458.013 4.661 50 10 JJGE O=C(c1cccc(Br)c1Br)N1[C@H]2CC[C@H]1CC(Br)C2 2092340718 TVJCNIMHDZCLSG-UWVGGRQHSA-N 451.984 4.742 50 10 JJGE O=C(c1c(Br)cccc1Br)N(CCBr)CC(F)(F)F 2094087833 DMODRADALAXVFD-UHFFFAOYSA-N 467.905 4.611 50 10 JJGE C[C@H](Br)C1CCN(C(=O)c2c(Br)cccc2Br)CC1 2094088033 GSIBOISCTZZOKP-VIFPVBQESA-N 454.000 4.847 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NC[C@H](CBr)C2CCC2)C1(C)C 2106787943 LOWIAEBGJPCDOU-JUYBDXISSA-N 451.471 4.589 50 10 JJGE O=C(NC[C@@H]1CCCC[C@H](Cl)C1)c1cc(Br)ccc1I 2163754193 QEEDWWRQSHCLCV-PWSUYJOCSA-N 470.576 4.971 50 10 JJGE C[C@H]1CN(C(=O)c2cc(Cl)ccc2I)CC[C@H]1CCBr 2172471075 BYEHRSIHJZZYPD-WDEREUQCSA-N 470.576 4.828 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1ccc(Br)cc1Br 2204561713 GWMUIKWNVOIQQC-GTUGTTAGSA-N 466.011 4.894 50 10 JJGE CCN(c1ncc(I)cc1Br)[C@@H]1CCC[C@@H]1Br 2212907580 ZRCQTTQDFISRPQ-GXSJLCMTSA-N 473.978 4.591 50 10 JJGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 2227669811 HRSDYFHQJQVPGU-ZDUSSCGKSA-N 452.292 4.560 50 10 JJGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C[C@H]1Br 2241637904 PHRLRRNRNNYHRE-AVIJNYRZSA-N 485.422 4.839 50 10 JJGE CC(C)C[C@@H](CBr)CNC(=O)Cc1cc(Br)cc(Br)c1 2295314481 YMUOGAMXVXBTKC-LBPRGKRZSA-N 470.043 4.928 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)NN=C2C(=O)N(CC=Cc3ccccc3)c3ccccc32)cc1 2313646635 LVXNGFXZFCMVTP-UHFFFAOYSA-N 467.569 4.943 50 10 JJGE CCOc1cc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1ccc(Cl)cc1 2328795124 NYNBJFXLBJTADM-INIZCTEOSA-N 475.973 4.681 50 10 JJGE Cc1ccc(-c2csc(C(C#N)=C(O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1C 2331385166 HAXISGPEIGFGDD-UHFFFAOYSA-N 474.498 4.814 50 10 JJGE CCN[C@H](c1c(C)cc(Br)c(OC)c1Br)[C@H]1C[C@@H]1Br 2339650927 KJJVBANZBHIYDL-RVBZMBCESA-N 456.016 4.963 50 10 JJGE CN(C(=O)c1ccc(Cl)cc1I)[C@H](CBr)C(C)(C)C 2340057880 OTHJCFWMUSRMIL-GFCCVEGCSA-N 458.565 4.826 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@H]2CCOc3ccccc32)C1 2340296330 HUXKEBBWYLRRFB-PXNSSMCTSA-N 473.351 4.732 50 10 JJGE CC1(C)C[C@@H](CBr)CN(C(=O)c2ccc(Cl)cc2I)C1 2365581839 JVLJTVGYJVUBTQ-JTQLQIEISA-N 470.576 4.828 50 10 JJGE CCCc1ccc(OCC(=O)N/N=C/c2cc(OC)ccc2OCc2ccccc2)c([N+](=O)[O-])c1 20075117 AIGQDVSTNUEYTL-JVWAILMASA-N 477.517 4.664 50 10 JJGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)cc1 38678472 WINMDDYDVHRIJT-JOCHJYFZSA-N 477.314 4.895 50 10 JJGE Cc1ccc(Cl)cc1Nc1ncnc(NNC(=O)c2ccc(Br)cc2)c1[N+](=O)[O-] 40592832 PTUDDQRHZNTFBI-UHFFFAOYSA-N 477.706 4.610 50 10 JJGE Cc1c(C(=O)Oc2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813505 NPAPACLKUVMALZ-YZSQISJMSA-N 485.855 4.978 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccccc2C(C)C)c(OC)c1 40988838 UQQWGXNHFLIZNA-XSFVSMFZSA-N 450.535 4.626 50 10 JJGE C#CCOc1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1Br 59305367 SWHRYISYMFJZOX-SSDVNMTOSA-N 476.124 4.734 50 10 JJGE O=C(NN=Cc1cc(Br)ccc1OCc1cccc(Cl)c1)c1cc(O)cc(O)c1 254287714 BOEMQCXFIBKTON-UHFFFAOYSA-N 475.726 4.857 50 10 JJGE CCn1c(C)nc2cc(C(=O)NN=C(C)c3ccc(OC)c(CSc4ncccn4)c3)ccc21 254404459 BTINVDVCAMHWIF-UHFFFAOYSA-N 474.590 4.610 50 10 JJGE COc1cc(C=NNC(=O)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)/C=C/c1ccccc1 254790309 BTTIFXLVLKNGFL-QAKKNMKTSA-N 493.519 4.556 50 10 JJGE CC[C@H](C)c1ccc(OCC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 254871232 UBWWXVREBQYHNP-INIZCTEOSA-N 451.479 4.906 50 10 JJGE O=C(Nc1ccc(Br)c(I)c1)[C@@H](Cl)c1ccccc1 306015652 SLKHZRYBENIWFK-ZDUSSCGKSA-N 450.501 4.972 50 10 JJGE C[C@@H](Br)C[C@H]1CCCCCN1C(=O)c1ccc(I)cc1 312976570 PWWGECOWPWJXLG-IUODEOHRSA-N 450.158 4.850 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2cc(Cl)ccc2[N+](=O)[O-])C1 1614617374 VLTFCFRQVWHTLY-WMLDXEAASA-N 453.720 4.995 50 10 JJGE CC(=O)N(Cc1ccc(NC(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1)C(C)C 1623084224 MNYHYCVABKQZQM-UHFFFAOYSA-N 458.971 4.778 50 10 JJGE C=C(C)[C@H](NC(=O)NNC(=O)c1ccc(Br)cc1Cl)c1ccc(F)c(F)c1 1686173378 HIAIFXHDTKEGAX-INIZCTEOSA-N 458.690 4.642 50 10 JJGE CCOC(=O)c1c(NC(=O)NN=Cc2cc(Br)ccc2O)sc2c1CC[C@H](C)C2 1772753086 JXDSTUGNICLDCL-NSHDSACASA-N 480.384 4.673 50 10 JJGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1C[C@H]2CC[C@H]1C[C@@]2(C)NC(=O)OC(C)(C)C 1893709059 IGTQAMFGTIZDTC-XFPUZKTBSA-N 461.441 4.994 50 10 JJGE Cn1cc([C@H](Cl)c2sc(Cl)cc2I)c(Br)n1 1901019816 BZHCYUIEVWXPLF-ZETCQYMHSA-N 451.942 4.830 50 10 JJGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C[C@](C)(CBr)C(C)(C)C)C1 1904844441 JWWZKVGKGHFXFR-QHCPKHFHSA-N 483.491 4.918 50 10 JJGE BrCC(CBr)(Cc1nncs1)c1cccc(Br)c1 2066502750 DYUDHMVEWHRVFI-UHFFFAOYSA-N 455.013 4.571 50 10 JJGE C=CC[C@](C)(CBr)CNC(=O)c1cc(Br)sc1Br 2082049966 NSBZFCKRCLMBIB-GFCCVEGCSA-N 460.029 4.980 50 10 JJGE C[C@@H](CCCCCCl)NC(=O)c1cc(Br)ccc1I 2117895166 PPIMHEPJPHSFHQ-JTQLQIEISA-N 458.565 4.971 50 10 JJGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)CC2CCOCC2)cc1CBr 2179785724 QDPBIAZYZIEALI-UHFFFAOYSA-N 452.414 4.507 50 10 JJGE CCc1ccc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)C(C)(C)COC 2179853567 JMTGXXIKYLLNSN-UHFFFAOYSA-N 454.430 4.760 50 10 JJGE CC(C)(C)OC(=O)N[C@@H]1CN(CCCCCI)C[C@@H]1c1ccccc1 2220217223 VNRLSOXXVVXILX-QZTJIDSGSA-N 458.384 4.584 50 10 JJGE CCN(C(=O)c1ccc(I)c(Br)c1)[C@@H]1CCC[C@H]1Cl 2224416420 WTNZKGMBMXABFQ-DGCLKSJQSA-N 456.549 4.676 50 10 JJGE CN(Cc1ccc(I)cc1)c1ncc(Br)cc1CCl 2265605902 VKSVEVCTVAUZFA-UHFFFAOYSA-N 451.533 4.824 50 10 JJGE COc1nccc2c1nc(CCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2273002039 YCYOKQXWRKRNJC-UHFFFAOYSA-N 462.981 4.650 50 10 JJGE C[C@H]1CC[C@H](CBr)CN1C(=O)Cc1cc(Br)cc(Br)c1 2295313175 GFTWXPWRXBOTQE-WDEREUQCSA-N 468.027 4.776 50 10 JJGE C[C@H]1C[C@@H](CBr)CN1Cc1ccc(I)c(Br)c1 2306228535 SCPWYGJGUNNJCS-ONGXEEELSA-N 472.990 4.659 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OS(=O)(=O)c1ccccc1 2313541064 OSMYCQUPMFERTB-UHFFFAOYSA-N 462.527 4.707 50 10 JJGE Cc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 2313562248 KCCREMYGNPSHNF-UHFFFAOYSA-N 463.877 4.690 50 10 JJGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2314618250 KEIZGYQBDBIBFY-QFIPXVFZSA-N 462.933 4.690 50 10 JJGE CC(C)COc1cccc(C=NNC(=O)c2ccc(Nc3nc(O)c4ccccc4n3)cc2)c1 2323766093 KUYIPIXHEBNAHZ-UHFFFAOYSA-N 455.518 4.878 50 10 JJGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1cc([N+](=O)[O-])ccc1Cl 2325406231 YIOVQLHYBAAWQJ-UHFFFAOYSA-N 482.665 4.619 50 10 JJGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)c1 10283289 ZPUZUIDLHZFASX-UHFFFAOYSA-N 461.996 4.539 50 10 JJGE COc1cc(/C=N/NC(=O)c2ccc(OCc3ccccc3)cc2)cc(Br)c1O 19338315 OSJFRKBRWRTEMF-ZMOGYAJESA-N 455.308 4.506 50 10 JJGE Cc1cc(C(=O)Oc2cccc(/C=N/NC(=O)c3cc4ccccc4cc3O)c2)ccc1[N+](=O)[O-] 20352801 ZVDOJAUJUACMMM-JFLMPSFJSA-N 469.453 4.745 50 10 JJGE COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 33930400 RLHOQIPAWUYCKI-WDZFZDKYSA-N 470.201 4.930 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OCCOc1cc(C)cc(C)c1 34702944 PYPKNJQKRCMNLQ-JCMHNJIXSA-N 460.530 4.976 50 10 JJGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(F)cc4F)c(C)c32)cc1 40813897 JWCSJYSVUHJQBR-TURZUDJPSA-N 453.445 4.598 50 10 JJGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc2c(c1)OCO2 58889907 FQIZDSJAMWAHFG-GFYGDKIRSA-N 496.947 4.620 50 10 JJGE COc1cc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)CCl)ccc1OC(C)C 97914671 DAXFIZUALPZXFF-DEOSSOPVSA-N 477.001 4.833 50 10 JJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC)c(O)c2)sc2c1CC[C@@H](CC)C2 209407073 XPKDAPPAGUCKOG-KWZJRMENSA-N 454.548 4.700 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccc(F)cc3)n2-c2ccccc2)cc1 263629210 SAQPVOKQLGLXFH-UHFFFAOYSA-N 475.549 4.715 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC(C(F)(F)F)C(F)(F)F)C1 301945438 PEBINWOEFOTAKN-LBPRGKRZSA-N 491.210 4.701 50 10 JJGE O=S1(=O)CCCC[C@@H]1[C@H](Br)c1scc(C(F)(F)F)c1Br 380120935 KUMDEOWUQWZOPO-APPZFPTMSA-N 456.143 4.933 50 10 JJGE Nc1cc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)ccc1Cl 382708354 GCPFDTDKYIMLBX-HZPDHXFCSA-N 470.738 4.709 50 10 JJGE CC(C)(C)C[C@@H](CBr)NC(=O)c1ccc(I)c(Cl)c1 393486983 QVLKPBJSKITTQO-JTQLQIEISA-N 458.565 4.874 50 10 JJGE O=C(C[C@@H](c1ccccc1)C(F)(F)F)NNC(=O)c1ccccc1OCc1ccc(F)cc1 728456700 VKHUIHBKPQSBSR-FQEVSTJZSA-N 460.427 4.902 50 10 JJGE C=CCn1c(COc2ccccc2F)nnc1SCC(=O)N/N=C1/C[C@H]2CC[C@@]1(C)C2(C)C 1087349099 DDZITIPYJDVEEU-GBUPCLCGSA-N 471.602 4.593 50 10 JJGE C/C(=C\c1cccc(Cl)c1)C(=O)NNC(=O)COc1ccc(OCc2ccccc2)cc1 1529811502 QEBYWFIWGCQWAU-NBVRZTHBSA-N 450.922 4.549 50 10 JJGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749233 JPTMTVIFPPGWDT-UHFFFAOYSA-N 451.910 4.729 50 10 JJGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CCc4ccccc4[C@@H]3C2)n1 1868231619 MOPACKOIFCZSJI-QFIPXVFZSA-N 470.602 4.863 50 10 JJGE CC1(C)C[C@H](Cl)CN(C(=O)c2cc(Br)ccc2I)C1 1923190536 BRZLCBHTXXNOCM-JTQLQIEISA-N 456.549 4.533 50 10 JJGE CCN(C[C@](C)(CI)OC[C@@](C)(F)C(F)(F)F)C(=O)OC(C)(C)C 2017070596 RYXSVIAPBRAXAZ-UONOGXRCSA-N 471.273 4.744 50 10 JJGE O=C(NC[C@@H]1CCC[C@H](Br)C1)c1csc(Br)c1Br 2032953285 GMRFFVATXXYNBC-SFYZADRCSA-N 460.029 4.957 50 10 JJGE O=C(CBr)c1cc(OC(F)(F)F)cc(I)c1C(F)F 2060384502 TXEOZAOGGPSGAW-UHFFFAOYSA-N 458.946 4.705 50 10 JJGE Cc1c(Br)ccc([C@@H](Br)C(C)(C)S(C)(=O)=O)c1Br 2083337759 KFMLJDOMFHBNOP-LLVKDONJSA-N 463.029 4.779 50 10 JJGE O=C(NC[C@H](CBr)C1CCC1)c1cccc(Br)c1Br 2092328039 IBQAPJDWYUUVBO-JTQLQIEISA-N 454.000 4.753 50 10 JJGE Cc1c(Br)c(COc2ccc(Br)cc2CBr)nn1C 2093829794 SMMZPEPKCPQOBQ-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE Cc1ncn(C)c1COc1c(Br)cc(CBr)cc1Br 2132018565 RUWFDDMJOAVZKI-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE C=CC[C@](C)(CBr)CNC(=O)c1cc(Cl)ccc1I 2137193900 QAORIZDAWVASSZ-CQSZACIVSA-N 456.549 4.652 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H]2[C@H](Br)CCC[C@H]2C1 2150957384 DFQCHMJQOQYMPE-QJPTWQEYSA-N 468.560 4.580 50 10 JJGE CN(C[C@H](Br)C1CCCC1)C(=O)c1ccc(Cl)c(I)c1 2283666164 YFWAINOUXWUOSR-LBPRGKRZSA-N 470.576 4.970 50 10 JJGE N#CC(=Cc1cn(Cc2cccc(F)c2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 2294599105 OKLCHTQJMUPVIA-UHFFFAOYSA-N 453.473 4.781 50 10 JJGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(F)cc4)cs3)cc2C1=O 2331342696 RIQSDBJRJLEVJD-UHFFFAOYSA-N 463.490 4.532 50 10 JJGE C=CCn1c(SCC(=O)N/N=C/c2ccc(OC)cc2)nc2scc(-c3ccccc3)c2c1=O 9041512 CYFYFLZFQIAMNX-VULFUBBASA-N 490.610 4.562 50 10 JJGE CCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 14029511 TWWQSJWPKQAJSS-UHFFFAOYSA-N 469.763 4.512 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(CC)cc2)cc1Br 14640768 ZTPJTCOSMJQUBC-UHFFFAOYSA-N 477.399 4.811 50 10 JJGE CCOc1ccc(C(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1Br 14770306 WWOQIPXZRDRCME-UHFFFAOYSA-N 453.745 4.791 50 10 JJGE N#C/C(=C/c1ccccc1OCC(=O)Nc1nccs1)C(=O)Nc1sc2c(c1C#N)CCCC2 35519769 LCDUMZGVGZJXOG-WJDWOHSUSA-N 489.582 4.518 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc(OC)c1OC 38660454 FFERCDYDBMFSAO-HSZRJFAPSA-N 492.915 4.803 50 10 JJGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccccc2OC)cc1 39992929 NBRSZBWHTWOOGX-CAPFRKAQSA-N 480.524 4.912 50 10 JJGE Cc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)c1 39993005 MCVHSJIOIUHTDL-NBVRZTHBSA-N 454.461 4.788 50 10 JJGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)N3c4ccccc4C[C@H]3C)c(C)c21 40813153 QBMNHGSFUWKYTD-YFBUSDHTSA-N 457.530 4.658 50 10 JJGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1cc(Cl)ccc1O 58990194 RMLGLKCUUGQGAR-KEBDBYFISA-N 450.929 4.586 50 10 JJGE CC1=C(C(=O)N/N=C/c2cccc(Br)c2)[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 59384967 ZFWVMALWHVTQEU-OYCFWJGQSA-N 498.233 4.699 50 10 JJGE O=C(N/N=C\c1ccc(Cl)c(Cl)c1)c1ccc(Nc2nc3ccccc3c(=O)[nH]2)cc1 169927962 MNSLXADJVPHQFO-ROTLSHHCSA-N 452.301 4.737 50 10 JJGE COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)c1C 214456090 RNPQVBIQHSVTLM-ANRKENSESA-N 459.594 4.680 50 10 JJGE C[C@H]1[C@@H](C)N(S(=O)(=O)c2cc(CCl)sc2Br)C[C@@H](C)N1Cc1ccccc1 404267699 GEEUGPSAISOWDI-QLFBSQMISA-N 491.904 4.921 50 10 JJGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1ccc(I)c(Cl)c1 686180172 RLZJGCXJGQMOGI-IDTAVKCVSA-N 468.560 4.721 50 10 JJGE C[C@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@]1(C)CBr 703736561 VJMSVMFMXABGON-XPTSAGLGSA-N 454.000 4.705 50 10 JJGE O=[N+]([O-])c1ccc(-n2nc(-c3cc(Br)ccc3O)cc2CCl)c([N+](=O)[O-])c1 1614818236 UOSGCHKIULTDRL-UHFFFAOYSA-N 453.636 4.563 50 10 JJGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2)c1ccccc1 1772746006 NRJHDSNLDBPMJV-UHFFFAOYSA-N 460.490 4.633 50 10 JJGE O=C(Nc1ncccc1OCC(=O)c1ccc(Br)cc1)Oc1ccc([N+](=O)[O-])cc1F 1858696121 XBXZVNSWLACHBO-UHFFFAOYSA-N 490.241 4.764 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)ccc1O 1865705710 CTVKGJVVNQSABV-HSZRJFAPSA-N 468.488 4.670 50 10 JJGE CCCOC(=O)c1ccc(Oc2coc3cc(OC(=O)C(Cl)Cl)ccc3c2=O)cc1 1871385367 PEHVXNDMOVWGAL-UHFFFAOYSA-N 451.258 4.861 50 10 JJGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)CC1=O 1872753335 RVKFDPYRUNODBJ-VGLIXDPASA-N 463.490 4.582 50 10 JJGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)cs1 1915086378 HTYIZPOLCJESIY-GFCCVEGCSA-N 467.248 4.875 50 10 JJGE Cc1cc2c(cn1)nc(CCl)n2-c1cc(I)ccc1Br 1917808693 FSRJIXXCFYSVDH-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE C[C@@H](Br)[C@@H]1CCCN(C(=O)c2csc(Br)c2Br)C1 2032956356 PYXKHKUWIYGEBY-HTQZYQBOSA-N 460.029 4.909 50 10 JJGE CSc1ccncc1-n1nc(CBr)c(I)c1C(F)(F)F 2078934212 INMGIVIBYANCJV-UHFFFAOYSA-N 478.075 4.508 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CCCC[C@@H]1CCBr 2094087558 ASFFQMFLIMHNSF-SNVBAGLBSA-N 454.000 4.991 50 10 JJGE CC1CC(CBr)(N(C)C(=O)c2cc(Br)cc(Br)c2)C1 2108305929 FVVMLQKSYXGCOB-UHFFFAOYSA-N 454.000 4.847 50 10 JJGE CC1CC(CBr)(CNC(=O)c2c(Br)cccc2Br)C1 2128729079 OHZGOPJQDLKBQS-UHFFFAOYSA-N 454.000 4.753 50 10 JJGE CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2179835270 RQTRSSJNIOJBBY-HNNXBMFYSA-N 492.266 4.783 50 10 JJGE Cc1cc(C)c(S(=O)(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)cc1CBr 2179857824 FMHYURCNGIPKKL-FQEVSTJZSA-N 452.414 4.568 50 10 JJGE COCc1nnc(COc2c(Br)cc(CBr)cc2Br)s1 2186554883 OCTTZTQCOGIYGV-UHFFFAOYSA-N 487.011 4.683 50 10 JJGE O=C(NC[C@]1(CCl)C[C@@H]1C(F)(F)F)c1csc(Br)c1Br 2192581108 JQIDMQIMFCEANX-QUBYGPBYSA-N 455.521 4.810 50 10 JJGE CCN(c1ncc(I)cc1Br)[C@@H]1CCC[C@H]1Br 2212907586 ZRCQTTQDFISRPQ-MWLCHTKSSA-N 473.978 4.591 50 10 JJGE CC1(C)CN(C(=O)c2ccc(I)c(Cl)c2)C[C@H]1CCBr 2238470304 MADXCBUGEDXTGY-LLVKDONJSA-N 470.576 4.828 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(O)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2293812377 SXAODBGFKOAQTK-UHFFFAOYSA-N 490.428 4.945 50 10 JJGE CCOc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OCc1cc(=O)n2nc(CC)sc2n1 2297350768 QDNVLWKJBFHPRQ-UHFFFAOYSA-N 498.568 4.632 50 10 JJGE CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(SC#N)c([N+](=O)[O-])c1 2297512234 PVJDYSDBDKKOST-UHFFFAOYSA-N 458.297 4.649 50 10 JJGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1cc(Br)c(Br)s1 2310046586 IBOFUKNHDPDJFB-AZRUVXNYSA-N 458.013 4.565 50 10 JJGE N#CC(=Cc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)C(=O)NCCc1c[nH]c2ccccc12 2313556342 WLKIGDFVWMBHPF-UHFFFAOYSA-N 466.497 4.921 50 10 JJGE Cc1ccc(C(=O)CCC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 2326841456 CVXKHZPFCLSQST-UHFFFAOYSA-N 459.933 4.679 50 10 JJGE F[C@H](CBr)C1CCN(Cc2cc(I)ccc2Cl)CC1 2352419930 KYHFTZSKAYGEKS-CQSZACIVSA-N 460.556 4.890 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CCC[C@H]2C[C@@H]1CCl 2354698147 XCRAOLVVELCOSP-PXWWUCIGSA-N 468.560 4.676 50 10 JJGE Cc1nc(Br)c([C@@H](Br)c2cc3c(cc2Br)OCC3)n1C 2362483459 PUHPJRIQTQQWPG-LBPRGKRZSA-N 464.983 4.673 50 10 JJGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CCCS2(=O)=O)c1Br 2365238318 XNQFPFOANAHPDE-MWLCHTKSSA-N 491.039 4.542 50 10 JJGE O=C(CCC(=O)N/N=C/c1cccc(Cl)c1Cl)N/N=C/c1cccc(Cl)c1Cl 12575117 XUQODOLZHOVTQN-WDBPGAOMSA-N 460.148 4.681 50 10 JJGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1cccc(C)c1 14648301 UNDCVBMRALUPCN-UHFFFAOYSA-N 463.372 4.557 50 10 JJGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)NCc3ccco3)N(c3ccccc3)C2=O)cc1Cl 33558744 LEERPPPFOUYQOH-KVHSSYOWSA-N 477.973 4.984 50 10 JJGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3C)ccc21 38650464 GKXWUBBIWXVEJU-SANMLTNESA-N 456.498 4.596 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)c1OC 38659037 KBJJPWLDBKPEKI-DEOSSOPVSA-N 492.915 4.560 50 10 JJGE O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)N/N=C/c1cccc([N+](=O)[O-])c1 39372240 YKUJWAHTADSPOG-MFKUBSTISA-N 457.515 4.894 50 10 JJGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 40812487 ZCQSQDFVLHLSON-VUTHCHCSSA-N 457.461 4.965 50 10 JJGE CCCCCN1C(=O)/C(=N\NC(=O)COc2ccc(C)c(C)c2)c2cc(Br)ccc21 40840322 VORIRZZCPLDMPL-ROMGYVFFSA-N 472.383 4.502 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cc(Cl)ccc2Cl)c(OC)c1 40987654 NKYMVPDXGRDCIQ-MHWRWJLKSA-N 477.344 4.810 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1F 101334690 ACJZZELQGDSKFD-WSDLNYQXSA-N 484.531 4.935 50 10 JJGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C1=O 101335804 GFYYPZVHWZZEPZ-KGENOOAVSA-N 450.922 4.548 50 10 JJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCC(C)C)c(OC)c3)C2=O)cc1 101340364 JHRVBDJESLGNDR-OEAKJJBVSA-N 474.557 4.574 50 10 JJGE Cc1cc(OCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)ccc1C(C)C 206737872 SUQGDAIVXPTQNK-STZFKDTASA-N 458.514 4.919 50 10 JJGE O=C(NC[C@@H]1CCCC[C@@H]1Br)c1ccc(I)c(Cl)c1 232349143 MEYYWYYUSONLBR-QWRGUYRKSA-N 456.549 4.628 50 10 JJGE C#CCOc1ccc(Br)cc1C=NNC(=O)c1cc2cc(Br)ccc2o1 252598454 DAXMYDIYPNKNHZ-UHFFFAOYSA-N 476.124 4.734 50 10 JJGE CC(=NNC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 252608168 HHQVMGHHSVNBAG-UHFFFAOYSA-N 450.882 4.963 50 10 JJGE CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]3C[C@H](Br)[C@@]2(O)C(C)=O)C1 254506036 GEVAMMLEIGNEOT-JHITXLNUSA-N 455.433 4.654 50 10 JJGE CC(=NNC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)c1ccc(Br)s1 254617530 VVNNZUBYBXEUOL-GJZGRUSLSA-N 492.439 4.833 50 10 JJGE CC[C@H](NS(=O)(=O)c1cc(Br)c(C)cc1Br)[C@H](Br)CC 313116402 OKHQMFLHACCXRH-SKDRFNHKSA-N 492.071 4.750 50 10 JJGE CCN(C[C@](C)(CI)OCCOc1ccccc1)C(=O)OC(C)(C)C 380749286 QKOMRXLUOZPULS-IBGZPJMESA-N 463.356 4.533 50 10 JJGE CCn1ccnc1CC(CBr)(CBr)c1cccc(Br)c1 692512725 MQDHOMOXKHPJEQ-UHFFFAOYSA-N 465.027 4.936 50 10 JJGE O=C(NC[C@@H]1CCCC[C@H]1Cl)c1ccc(I)c(Br)c1 721623834 VJBPOOFTJAIQSO-CMPLNLGQSA-N 456.549 4.581 50 10 JJGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)CCc1nc(O)c2c3c(sc2n1)C[C@H](C)CC3 843490476 ZJZLOQBDWBBDQM-CYBMUJFWSA-N 453.520 4.697 50 10 JJGE COc1cc(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)cc(OC)c1OC 1084184872 QDKWENUETKHWNH-UHFFFAOYSA-N 450.560 4.910 50 10 JJGE C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)NN=Cc1cc(Cl)ccc1[N+](=O)[O-] 1084515921 HYEJSFRBTWSLNS-INIZCTEOSA-N 453.882 4.745 50 10 JJGE CCCCCCOc1ccc(C=NNC(=O)COc2ccccc2Br)cc1OC 1772754624 LYDGAFASZTTZNM-UHFFFAOYSA-N 463.372 4.946 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1ccc2c(c1)OCCO2 1865698186 MQKTUVQHXZRLMV-DEOSSOPVSA-N 480.499 4.727 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1 1865713076 QIWXQOYTAKIOPG-HSZRJFAPSA-N 452.489 4.964 50 10 JJGE Cc1ccc(SCCCC(=O)NNC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)cc1 1865757155 PEVNOIJCRQOSOM-UHFFFAOYSA-N 455.530 4.977 50 10 JJGE CSCC[C@H](NC(=O)c1cccc(-n2cccc2)c1)C(=O)Nc1ccc(SC#N)cc1 1866616070 QBWKQQUICCQBRZ-NRFANRHFSA-N 450.589 4.541 50 10 JJGE C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)NCCSSCCNC(=O)OC(C)(C)C 1985347445 SDLBIBZVUXVWGE-IRXDYDNUSA-N 463.710 4.660 50 10 JJGE FC(F)c1ccc(I)c(I)c1CBr 2060237018 BGXIRWDFTFLHGD-UHFFFAOYSA-N 472.836 4.728 50 10 JJGE Cc1cc(O)cc(C)c1-n1nc(CBr)c(I)c1C(F)(F)F 2079256472 CGFXZWPPKMGNGO-UHFFFAOYSA-N 475.046 4.713 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2C[C@H]1CC[C@@H]2Br 2088647327 SKHQOFMSVWDJRG-WQAKAFBOSA-N 451.984 4.600 50 10 JJGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCCS(=O)(=O)C2)cc1Br 2089861862 VPAUIGUYUXCNEB-RNCFNFMXSA-N 475.040 4.781 50 10 JJGE CC[C@H](Br)CN(C(=O)c1cc(Br)ccc1Br)C1CC1 2107406722 KKTZKSSQNYGYBS-VIFPVBQESA-N 454.000 4.990 50 10 JJGE CN(C(=O)c1cccc(Br)c1Br)[C@@H](CCBr)C(F)F 2122008331 HFDFCZSLZQPYLJ-VIFPVBQESA-N 463.942 4.702 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@H](CBr)C(F)(F)C1 2146374838 FWFCMQUFKKLHNI-MRVPVSSYSA-N 475.953 4.704 50 10 JJGE CC(C)(C)C[C@@H](CBr)CNC(=O)c1ccc(F)cc1I 2156326900 SCYYJPRFLBUEJV-JTQLQIEISA-N 456.137 4.607 50 10 JJGE CC(C)(C)OC(=O)NCCCN(CC(F)(F)F)C(=O)c1ccc(CBr)cc1 2163053207 LGWNDFDZSXSXRG-UHFFFAOYSA-N 453.299 4.501 50 10 JJGE CN(C(=O)c1cc(I)ccc1F)[C@@H]1CCCCC[C@@H]1Br 2172536842 NXVFEXWKFGHVGO-GXTWGEPZSA-N 454.121 4.599 50 10 JJGE Fc1cc(Br)cc(N2CC[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)c1CBr 2185516294 VFZWVLJGBZGSDL-LEWJYISDSA-N 498.234 4.963 50 10 JJGE O=C(NC[C@]1(CCl)C[C@@H]1C(F)(F)F)c1scc(Br)c1Br 2192573198 PDGYYKSMADJVSQ-QUBYGPBYSA-N 455.521 4.810 50 10 JJGE C[C@@]1(CBr)C=CCCN1C(=O)c1cc(Cl)ccc1I 2264399770 UJHONZJLCPHYJM-AWEZNQCLSA-N 454.533 4.500 50 10 JJGE CN(C(=O)c1ccc(Cl)c(I)c1)C1(CBr)CCSCC1 2283653560 HVRXLUOGRPRRGQ-UHFFFAOYSA-N 488.616 4.677 50 10 JJGE C[C@@H]1CCCN(C(=O)Cc2cc(Br)cc(Br)c2)[C@H]1CBr 2295318203 WZGZPQCSHVBRTH-YGRLFVJLSA-N 468.027 4.776 50 10 JJGE N#CC(C(=O)Cn1cnc2scc(-c3ccc([N+](=O)[O-])cc3)c2c1=O)=C1Nc2ccccc2S1 2318370976 QBNHZTBPQULZTJ-UHFFFAOYSA-N 487.522 4.555 50 10 JJGE COc1ccc(CC(=O)Oc2ccc(C=C(C#N)c3ccc(OC)c(OC)c3)cc2OC)cc1OC 2320506100 BOVIAADEWPJHJI-UHFFFAOYSA-N 489.524 4.942 50 10 JJGE CC(C)(CI)CN1CC[C@@H](C(F)(F)F)C[C@H]1CNC(=O)OC(C)(C)C 2326668344 UKDDVGJVDWIXQR-OLZOCXBDSA-N 478.337 4.615 50 10 JJGE N#CC(=Cc1cccc(Br)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 2329696551 OYOGBXOGLMLFAY-UHFFFAOYSA-N 457.283 4.770 50 10 JJGE COc1ccc(-c2csc(C(C#N)=Cc3cc4c(cc3[N+](=O)[O-])OCCO4)n2)c(OC)c1 2331473656 RLMNRDOBQIEZFX-UHFFFAOYSA-N 451.460 4.571 50 10 JJGE CC[C@@]1(C)[C@H](Br)CCN1C(=O)c1cc(Br)cc(Br)c1 2336763414 BQLHXYYLMCBCKK-OCCSQVGLSA-N 454.000 4.990 50 10 JJGE CC1(C)CC(CBr)(CN=[S@@]2(=O)CC[C@H](CNC(=O)OC(C)(C)C)C2(C)C)C1 2371145426 DVJVETRJKLWPJU-YVORESIASA-N 465.498 4.979 50 10 JJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)/C=C/c1cccc2ccccc12 12503501 VPQAYNOROBHOLW-BRADTZPFSA-N 488.396 4.649 50 10 JJGE C[C@@](CBr)(NS(=O)(=O)c1cc(Cl)c(Br)s1)c1ccccc1 134455868 MOCUKVDXUVRMSZ-ZDUSSCGKSA-N 473.639 4.753 50 10 JJGE CCCCc1ccc(OCC(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1 254902321 NJYDZHWAVCPPPN-UHFFFAOYSA-N 484.188 4.789 50 10 JJGE O=C(CBr)c1c(OC(F)(F)F)ccc(Br)c1I 575696713 WDFBZWFOXOOTPB-UHFFFAOYSA-N 487.835 4.530 50 10 JJGE Cc1cc(C(=O)CCl)c(C)n1-c1cc(I)cc(I)c1 690415456 VJRVJESGXVDMTE-UHFFFAOYSA-N 499.517 4.725 50 10 JJGE COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2nnc(-c3ccccc3Br)o2)c1C 768745555 BLSXOSWVNIHQID-BFERYNQYSA-N 499.365 4.775 50 10 JJGE Cc1nc(-c2cccc(NC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccc(Cl)cc3)c2)n[nH]1 918656012 DIIGNMAKXWVOMB-XDHOZWIPSA-N 482.935 4.756 50 10 JJGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 1084586035 QXZSDQBGFNCZTC-VWLOTQADSA-N 456.502 4.562 50 10 JJGE C=CCOc1ccccc1C=NNC(=O)COc1c(C)cc(Br)cc1Br 1084656420 IBYAVCHSEQVVIW-UHFFFAOYSA-N 482.172 4.614 50 10 JJGE Cc1c(C(=O)N2CCCC[C@H]2C)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744149 QUFASNVOYMRGFI-CQSZACIVSA-N 472.383 4.836 50 10 JJGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1 1865702809 FTQLNNANXLKDPB-LJQANCHMSA-N 454.452 4.957 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1OC 1865706865 HKQMSYRSSDJZHJ-XMMPIXPASA-N 482.515 4.973 50 10 JJGE Cc1cc(=NC(=O)[C@@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)[nH]o1 1868365297 NQGKQOQVMXGZTD-NRFANRHFSA-N 497.584 4.786 50 10 JJGE Cc1cc(-n2nc(CBr)c(I)c2C(F)(F)F)cc(C)c1O 2079258711 LKLPVTOLGAELRE-UHFFFAOYSA-N 475.046 4.713 50 10 JJGE CC(C)(C)[C@@H](CBr)CNC(=O)c1c(Br)cccc1Br 2094100445 RJOLTMFVWNHMJW-VIFPVBQESA-N 456.016 4.999 50 10 JJGE CCn1ncc(Br)c1COc1c(Br)cccc1CBr 2094301770 SSHULACPTACZEC-UHFFFAOYSA-N 452.972 4.902 50 10 JJGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCn3ncnc3C2)c1Br 2108969161 LXNSIYXEHXSQQV-GMSGAONNSA-N 470.028 4.872 50 10 JJGE COc1c(C)cc(Br)cc1[C@@H](Br)c1nn(C)cc1Br 2141620274 GSZNRRDMDNOMPK-LLVKDONJSA-N 452.972 4.746 50 10 JJGE CC1(C)C[C@@H](Cl)CN(C(=O)c2ccc(Br)cc2I)C1 2142280797 IYDYQVYHUZAIPC-SNVBAGLBSA-N 456.549 4.533 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CCCC[C@@H]1CCCl 2142285033 KMIRVHKYMZEIOT-LLVKDONJSA-N 456.549 4.677 50 10 JJGE Brc1ccc([C@H](CI)OC[C@H]2C[C@@]23CCCOC3)cc1 2198380625 QNYPOMWCTBZUNO-VNQPRFMTSA-N 451.142 4.759 50 10 JJGE C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2I)[C@@H]1CCCl 2207272298 NCSMXZLXKTYWJO-QMTHXVAHSA-N 470.576 4.923 50 10 JJGE Cn1nc(Br)c(CC(CBr)(CBr)C2CCCCCC2)n1 2235293589 NUVLFNPMDGRPGR-UHFFFAOYSA-N 472.063 4.867 50 10 JJGE C[C@]1(CNC(=O)c2cc(Cl)ccc2I)CCC[C@H]1Br 2271295692 KHZLZALTUVCMKV-TZMCWYRMSA-N 456.549 4.628 50 10 JJGE C[C@@H](CC1CCN(CC(C)(C)CI)CC1)N(C)C(=O)OC(C)(C)C 2306808481 AKPZTEITCXBULB-HNNXBMFYSA-N 452.421 4.805 50 10 JJGE N#CC(=Cc1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)N1CCCCC1 2314436805 HDQMMYCEAVJFNI-UHFFFAOYSA-N 469.328 4.713 50 10 JJGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2OC)cc1 2314634653 TWPNGYRPNRATGD-HHHXNRCGSA-N 484.508 4.549 50 10 JJGE BrCc1ncccc1OCc1cc(I)ccc1Br 2319164472 GISZOGJTZXATBH-UHFFFAOYSA-N 482.941 4.923 50 10 JJGE CCc1ccc(-c2ccc(C(=O)NN=Cc3ccc(OCC(=O)N(CC)CC)cc3)c(C)n2)cc1 2321240821 SOCRCWCECMUDIV-UHFFFAOYSA-N 472.589 4.631 50 10 JJGE CCOc1ccc(C=CC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1OC 2326840078 QBOVJOAJQGJLJB-UHFFFAOYSA-N 489.959 4.828 50 10 JJGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3cccc(OC)c3OCc3ccccc3F)nc2c1 2331046325 DMTFRLVKABGHFM-UHFFFAOYSA-N 485.471 4.913 50 10 JJGE Cc1ccc(S(=O)(=O)NCC(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 2331279224 XVEXCXPHWJEYKU-UHFFFAOYSA-N 490.404 4.652 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H]2CC(Br)C[C@@H](C2)C1 2338809057 ZZPNMSDJHQYDMQ-HTQZYQBOSA-N 472.040 4.909 50 10 JJGE CC(C)[C@H](Br)c1cn(Cc2ccc(I)c(Br)c2)nn1 2349920061 FFLSIUVXCBRITB-ZDUSSCGKSA-N 498.988 4.786 50 10 JJGE O=C(c1cc(Br)ccc1I)N1[C@H]2CCC[C@H]2C[C@@H]1CCl 2354694736 ZOOMWTZXWVBGPX-PXWWUCIGSA-N 468.560 4.676 50 10 JJGE N#C/C(C(N)=O)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1 1790808 RRAFFQZLAMNBFJ-HUCUOGIVSA-N 497.201 4.667 50 10 JJGE O=C(CCC(=O)N/N=C/c1ccc(Cl)cc1Cl)N/N=C/c1ccc(Cl)cc1Cl 3093570 PIIMEOWCERKORS-WDBPGAOMSA-N 460.148 4.681 50 10 JJGE Cc1cccc(Cl)c1COc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3=O)cc2)o1 20291605 JPRLXIRZMKGMKH-VULFUBBASA-N 451.910 4.711 50 10 JJGE COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC)c(Oc2nc(Cl)ncc2F)c1 33635061 XFUCSJVVBBEQHG-ZROIWOOFSA-N 454.845 4.624 50 10 JJGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2F)ccc1Cl 38652135 RFMZAESUSUIONB-DEOSSOPVSA-N 464.880 4.990 50 10 JJGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 39858559 TWFFLDGMQWRVON-HKWRFOASSA-N 450.498 4.958 50 10 JJGE COc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C)cc3)nc3c(C)cccn3c2=O)c1 39992846 PHSIVBVTZIFFFI-XMHGGMMESA-N 466.497 4.658 50 10 JJGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)N3CCCc4ccccc43)c(C)c21 40813194 YPSPZIQYBWEHJP-VFCFBJKWSA-N 457.530 4.660 50 10 JJGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1O)CCC2 40826379 IUDPHEJHXITIIB-OVVQPSECSA-N 451.910 4.978 50 10 JJGE CCCCCOc1ccccc1C(=O)N/N=C1\C(=O)N(CC(=O)Nc2ccc(C)cc2)c2ccccc21 59146957 NUPWRXTUFPCRPQ-QVTSOHHYSA-N 498.583 4.683 50 10 JJGE COc1cc(/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 101336297 HCUHRUZLHJPOMB-HZHRSRAPSA-N 474.557 4.682 50 10 JJGE CCCCCCCOc1ccc(/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 101341159 WFCHEXUSJZXJKT-CJLVFECKSA-N 482.577 4.590 50 10 JJGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1 206433274 LXHCQEOZFMZNBZ-BUSHWYCFSA-N 486.524 4.919 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(O)c(Cl)c2)[C@@H](CI)C1 382681129 BCMSYCLGZIJLAZ-JKSUJKDBSA-N 471.722 4.833 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2cc(Br)ccc2O)[C@@H](CBr)C1 382711599 HKWKEKMUYPZSAG-YOEHRIQHSA-N 469.173 4.902 50 10 JJGE O=C(N[C@@H](CCl)C1CCCCC1)c1cc(Br)ccc1I 386278392 QIMJKIYHMNZYGM-AWEZNQCLSA-N 470.576 4.971 50 10 JJGE C[C@H]1CCN(c2ncc(C(F)(F)F)cc2I)C[C@@H]1CBr 686114453 PEYDXTCKRAHMLU-IUCAKERBSA-N 463.079 4.562 50 10 JJGE C[C@H](Br)[C@H]1CCCN(C(=O)c2scc(Br)c2Br)C1 689024905 CJSRWLYEVZFZCT-YUMQZZPRSA-N 460.029 4.909 50 10 JJGE Fc1cc(I)ccc1-n1c(CCl)nc2cc(Br)cnc21 697792689 NMTHIORKVSBSCD-UHFFFAOYSA-N 466.479 4.666 50 10 JJGE CC(C)N(C[C@H](C)Br)C(=O)c1ccc(I)c(Br)c1 721616630 FPLSHMVRKWEGLK-VIFPVBQESA-N 488.989 4.688 50 10 JJGE O=C(N[C@@H](CCBr)C1CCCCC1)c1sccc1I 725062519 WSWRXAPMHQWGAS-LBPRGKRZSA-N 456.187 4.816 50 10 JJGE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(SC#N)cc2)sc(C)c1-c1ccc(C)cc1 1860748670 GZVQTLYDLHFPAX-UHFFFAOYSA-N 465.556 4.969 50 10 JJGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)N/N=C/c1ccc(Cl)cc1Cl 1860773385 WLFDINYMVFUANT-YCPBAFNGSA-N 457.342 4.582 50 10 JJGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)c1 1865690525 UAKJLUPXDPVXTG-SFHVURJKSA-N 458.415 4.706 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1ccc2c(c1)OCCO2 1865697746 ASCOQQXCUAWRGT-KRWDZBQOSA-N 474.826 4.534 50 10 JJGE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704965 JBESXWVCGNRZGV-VWLOTQADSA-N 476.536 4.931 50 10 JJGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3ccc(NS(C)(=O)=O)cc3)n2)c1 1872754619 BDTIOHGAGGBTBC-QOCHGBHMSA-N 485.587 4.929 50 10 JJGE CC[C@H](Br)CN(Cc1ccccc1)c1ncnc(C)c1I 1888812115 IHUIWDXRFAHBQS-AWEZNQCLSA-N 460.157 4.570 50 10 JJGE COC(CBr)(CBr)Cc1ccc(Cl)c(I)c1 1900421606 KMHFYEPDOKFNTA-UHFFFAOYSA-N 482.381 4.662 50 10 JJGE CC(C)(C)OC(=O)N1CCN(C[C@H](CBr)C(C)(C)C)CCN1C(=O)OC(C)(C)C 1959577184 YMDURNLJQJESCV-INIZCTEOSA-N 478.472 4.748 50 10 JJGE CC1(C)C[C@@H](Br)CCN1c1ncc(I)cc1Br 2015758838 MVCGNXNXMSICFK-QMMMGPOBSA-N 473.978 4.591 50 10 JJGE CC1(C)[C@H]2CC[C@@H](C2)[C@@]1(CI)OCCOCCOCc1ccccc1 2056733780 LRJMRXDVXNMQJZ-IRFCIJBXSA-N 458.380 4.866 50 10 JJGE CCC[C@H](CBr)CNC(=O)c1cc(I)ccc1Br 2057120318 PJPNMWYGUSOAND-SECBINFHSA-N 488.989 4.595 50 10 JJGE COc1cc(Br)c(C(=O)N(Cc2ccccc2)C[C@H](C)Br)cc1OC 2068779595 ANWLJMDMJIFNAT-ZDUSSCGKSA-N 471.189 4.892 50 10 JJGE Fc1cccc(F)c1Cn1nc(CBr)c(I)c1C(F)(F)F 2079239502 CEVMQPWFKSWGQT-UHFFFAOYSA-N 481.000 4.728 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@@H]2CCC[C@H](Br)[C@H]2C1 2094581156 NHUQMYDPAWINBJ-NRPADANISA-N 472.040 4.909 50 10 JJGE COC[C@@H](C)OC[C@@H](Br)CCc1cc(Br)ccc1Br 2118523842 CJYHATPKGRXVMX-MFKMUULPSA-N 459.016 4.959 50 10 JJGE FC1(F)CC[C@@H]2[C@H]([C@@H](Br)c3cc(I)cc4c3OCC4)[C@@H]21 2170831810 RPKAHJVBVZZZQY-MGAJPHDKSA-N 455.080 4.953 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCc2ccc(Cl)cc2Cl)C1 2212515523 BLANFZJUIFEBFF-ZIAGYGMSSA-N 472.150 4.933 50 10 JJGE CC(C)(C)OC(=O)NC[C@@]1(C(F)(F)F)CCCN1CCCCCI 2214705971 XGRHBKTXTZUYRN-OAHLLOKOSA-N 464.310 4.513 50 10 JJGE Cc1ccc(I)c(C(=O)N2CCCC[C@@H]2CCCBr)c1 2240924751 MTQLPLSSEXHJJL-CYBMUJFWSA-N 450.158 4.769 50 10 JJGE C[C@@H]1CC[C@@](CBr)(NC(=O)c2ccc(Cl)c(I)c2)C1 2268351531 LRCFQDKWRYKSAN-YMTOWFKASA-N 456.549 4.628 50 10 JJGE CC(C)[C@](C)(CBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277936859 PJOZMJNTDUOFKH-AWEZNQCLSA-N 456.016 4.680 50 10 JJGE CCN(C=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 2324603033 YMICWIDDLVCEOW-UHFFFAOYSA-N 450.586 4.854 50 10 JJGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)CCN3C(=O)c4ccccc4C3=O)n2)cc1Cl 2331378574 BUOALRPKNULDCD-UHFFFAOYSA-N 495.944 4.960 50 10 JJGE C[C@@H]1C[C@@H](CBr)CCN1C(=O)c1ccc(Cl)cc1I 2340052042 KJHRJXYAFYUWNW-ZJUUUORDSA-N 456.549 4.580 50 10 JJGE Cc1ccc(CBr)c(OCc2ncc(I)cn2)c1Br 2353062715 GJDREFAPWPRLRM-UHFFFAOYSA-N 497.956 4.626 50 10 JJGE Fc1cc(CBr)c(N2CC[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)cc1Cl 2362385304 IGFLAWJZKMHDBX-SFTDATJTSA-N 453.783 4.854 50 10 JJGE C/C(=N\NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccc(Br)cc1 33304306 RPZOBEIZKNRNND-BUVRLJJBSA-N 493.243 4.964 50 10 JJGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)o1 38659111 XBUQIUQWOPFOOK-JOCHJYFZSA-N 481.302 4.553 50 10 JJGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 40826359 FQJHPPWGIQTHNG-BHGSVWKISA-N 475.520 4.885 50 10 JJGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 58891846 RRKCJCXNCGJERE-MAGAZJOKSA-N 472.541 4.656 50 10 JJGE COc1cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1ccc2c(c1)OCO2 108957136 JCPIQMTUYRGZLB-JAIQZWGSSA-N 491.507 4.707 50 10 JJGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 214322002 AKVQRXSSYPWHBG-NMKJEIPESA-N 492.579 4.927 50 10 JJGE N#C/C(=C/Nc1ccc(I)cc1)C(=O)Nc1ccc(Br)cc1 216792437 VICOUCLSOLGJMH-KHPPLWFESA-N 468.092 4.512 50 10 JJGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)/C(C#N)=C\Nc1ccc(I)cc1 217186757 SUNGJMGCOXNZIF-NWCRWOLESA-N 475.330 4.695 50 10 JJGE CN(C(=O)c1cc(Br)cc(Br)c1)[C@@H]1CCCC[C@@H]1Br 234308106 NVPQVKFSQNQZOV-QWHCGFSZSA-N 454.000 4.990 50 10 JJGE CC(=NNC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1[N+](=O)[O-])c1cc(O)ccc1O 254566668 IUUNZPGENOLCNX-UHFFFAOYSA-N 457.527 4.639 50 10 JJGE CN(C[C@H]1CCC[C@H]1Br)C(=O)c1ccc(I)c(Cl)c1 689219575 RFCBIDMKLGUTBZ-GHMZBOCLSA-N 456.549 4.580 50 10 JJGE C[C@H]1CN(C(=O)c2scc(Br)c2Br)C[C@@]1(C)CBr 705447177 FRSFLRYKAOKERT-JVXZTZIISA-N 460.029 4.766 50 10 JJGE C[C@]1(CBr)CCCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 722981257 NSKJVARJYPBZJI-GFCCVEGCSA-N 466.022 4.694 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c(C)n1CC(C)C 855280235 FQGYDHDBIWYYQJ-AEUYPJEVSA-N 464.591 4.660 50 10 JJGE O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NN=Cc1c(O)ccc2ccccc12 1084237738 RHZSQBDSCHAQDH-UHFFFAOYSA-N 493.972 4.544 50 10 JJGE C=CC[C@@H](CO)NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1C 1635396495 AWQZGURXZWTJGE-NDCSFFLDSA-N 451.876 4.727 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681474 ODXLKQJXAPFZDL-JOCHJYFZSA-N 486.915 4.831 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682198 IPVBHDJIFXCWGB-DEOSSOPVSA-N 480.524 4.539 50 10 JJGE C[C@@H]1c2ccc(CNC(=O)/C(C#N)=C/c3cccc(Br)c3)n2CCN1C(=O)OC(C)(C)C 1866130851 QCAJZEGEBLEPIS-YAJBTMAUSA-N 499.409 4.786 50 10 JJGE CCOC(=O)c1cnn(-c2ccc(Cl)cc2)c1NC(=O)/C(C#N)=C/c1cccc(Cl)c1 1866131042 WHCSDEHYVITMHU-XNTDXEJSSA-N 455.301 4.901 50 10 JJGE N#C/C(=C(/O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(F)cc2)cs1 1872753483 ZHTLLNJCCINJSL-FXBPSFAMSA-N 452.467 4.644 50 10 JJGE Brc1cccc(Br)c1CN1C[C@@H](Br)C[C@]2(CCCO2)C1 1924251417 MLXCTFXZSQMJNK-XHDPSFHLSA-N 468.027 4.730 50 10 JJGE CC1(C)CC[C@H](Br)[C@@H](CNC(=O)c2ccc(I)cc2)C1 1927048472 FHXMSZOLASMNJA-OCCSQVGLSA-N 450.158 4.611 50 10 JJGE CC[C@@H](C)[C@@H](CI)NC(=O)c1ccc(Br)cc1Br 2081237517 YJSZZSHLZWQRGH-PRHODGIISA-N 488.989 4.791 50 10 JJGE CCN1CCC[C@@H]([C@@H](Br)c2cc(Br)c(Br)s2)S1(=O)=O 2089534877 ILZIIPCGQXQJBO-UWVGGRQHSA-N 496.084 4.523 50 10 JJGE C[C@@H](CO[C@H](CI)c1ccccc1Br)N1CCCCC1 2186735882 PTEVLGLMTKPJAO-XJKSGUPXSA-N 452.174 4.816 50 10 JJGE Brc1ccccc1[C@H](CI)OC[C@@H]1C[C@]12CCCOC2 2198375907 CFKIFMBWCMLNAN-RCBQFDQVSA-N 451.142 4.759 50 10 JJGE Cc1cc(C(=O)N(C)C2(CBr)CCCCC2)ccc1I 2207109450 XEBFWLJAUPMHCQ-UHFFFAOYSA-N 450.158 4.769 50 10 JJGE CC[C@H](C)[C@H](CBr)NCc1ccc(I)c(Br)c1 2306219885 QWEVIIAOFRTVNT-ZANVPECISA-N 475.006 4.953 50 10 JJGE Brc1cc(CN2C[C@@H](Br)[C@H](C3CC3)C2)ccc1I 2325207918 SKLUJHWZDQZOBL-WCQYABFASA-N 485.001 4.659 50 10 JJGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)CNS(=O)(=O)c2ccc(C)cc2)n1 2331392172 XTCACXQIHWHRJU-UHFFFAOYSA-N 490.006 4.860 50 10 JJGE O=C(c1csc(I)c1)N1[C@H]2CCCC[C@H]2C[C@@H]1CBr 2333976177 BSMSMIMXBQTYTI-WCQGTBRESA-N 454.171 4.521 50 10 JJGE Brc1cc(Br)cc(C[C@@H](Br)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1 2335066530 LYKYIAZVMPTKEG-GHRCFYLDSA-N 450.996 4.941 50 10 JJGE CC(C)C[C@@H](CBr)CNC(=O)c1ccc(Cl)cc1I 2340051766 HFYZDKYEPZLSPA-JTQLQIEISA-N 458.565 4.732 50 10 JJGE CCC[C@@H](Cl)c1cn(Cc2ccc(I)c(Br)c2)nn1 2349848407 SGXXUFOWBJRWID-LLVKDONJSA-N 454.537 4.774 50 10 JJGE O=C(N[C@H]1C[C@H](CBr)C12CCC2)c1cc(Br)sc1Br 2351630921 FYWGAQKEYDKUJH-APPZFPTMSA-N 472.040 4.957 50 10 JJGE CCC[C@@H](Br)c1cn(Cc2cc(I)ccc2Cl)nn1 2352369629 GXNABGIWSJNAOO-LLVKDONJSA-N 454.537 4.821 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCCO3)ccc1OC(=O)c1cccs1 20175882 STWFITHPIAJLHX-ATVHPVEESA-N 476.510 4.683 50 10 JJGE COc1ccc(C(=O)CCC/C(=N\NC(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 20247829 SZXOJYRBFFRAQU-AZPGRJICSA-N 460.530 4.900 50 10 JJGE COc1ccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)Nc3ccccc3)c3ccccc23)cc1 33351342 JMVPZSXGRHQUEZ-CYVLTUHYSA-N 450.498 4.834 50 10 JJGE COc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 33615963 XHPFCCDNUCRQMK-QPQMVVSWSA-N 473.529 4.899 50 10 JJGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 38653864 GCKDPGQXQNPOCY-XMMPIXPASA-N 471.469 4.819 50 10 JJGE COc1cc(/C=N/NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc(Br)c1OC 40960429 PCZHDNIYMBFHLZ-FBRGJASNSA-N 469.763 4.654 50 10 JJGE Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=N/NC(=O)COc1ccc(C2CCCCC2)cc1 59158675 NPLQSSFCBFQYBX-JVWAILMASA-N 475.549 4.974 50 10 JJGE CC(C)(C)COC(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(I)c1 59160933 YHEABSJOBGIUEJ-WYMPLXKRSA-N 491.329 4.848 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccccc1Cl 59281652 DYEMMZMNVJFWFX-JMIUGGIZSA-N 476.916 4.880 50 10 JJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC)C(=O)C(C#N)=C2C)cc1C 101332504 OUZRNPYZKXZEPQ-HZHRSRAPSA-N 466.541 4.859 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(OC)cc1 206678968 CMQUNIZAVWCVGS-ZABCAIROSA-N 472.497 4.529 50 10 JJGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1 206727976 GPYLMEGJYJSOCN-UGLCQJSWSA-N 481.508 4.804 50 10 JJGE COc1cc(C=NNC(=O)Cc2cccc3ccccc23)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254620087 JLJHZABJUAKUEO-UHFFFAOYSA-N 483.480 4.669 50 10 JJGE Nc1cccc(Cl)c1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382704618 DZLABESXDHOPNH-GJZGRUSLSA-N 470.738 4.709 50 10 JJGE BrCc1cc(Br)c(OCCc2cnccn2)c(Br)c1 402888278 CZPOMSSSZJTPIF-UHFFFAOYSA-N 450.956 4.518 50 10 JJGE BrCc1ccc(Br)cc1N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 404217520 ZVOUDWTXGJEZQD-SFTDATJTSA-N 480.244 4.824 50 10 JJGE O=C(NNC(=O)c1ccccc1OCc1ccc(F)cc1)N[C@H]1C[C@@H]1c1cccc(Br)c1 726718682 NWJFJZYMGBJEFV-RTWAWAEBSA-N 498.352 4.667 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2ncccn2)c(C)n1-c1cc(Cl)ccc1Cl 821774024 DVIGBYPQMMJNIY-ADFUCPMPSA-N 484.343 4.668 50 10 JJGE N#CCOc1ccc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1Br 1084151317 CVYOJXSYKYEPEW-UHFFFAOYSA-N 477.112 4.624 50 10 JJGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cccc3ccccc23)cc1 1084358300 RZXJUGJQJZWBLO-UHFFFAOYSA-N 485.609 4.532 50 10 JJGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 1084606665 LRJYVOPDWMWUKS-MKMNVTDBSA-N 482.147 4.925 50 10 JJGE C=CCC[C@@H](NC(=O)NNC(=O)[C@H](C)Oc1ccccc1F)c1ccc(C(F)(F)F)cc1 1478272655 OFSSLXFJCTXTGU-KBXCAEBGSA-N 453.436 4.650 50 10 JJGE O=C(CBr)Nc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)cc2)cc1 1859474808 RYZNZAFEMJKXQN-MOPGFXCFSA-N 475.339 4.642 50 10 JJGE CC[C@@H](NC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866849638 DDDQHNHTWKMQOG-LJQANCHMSA-N 498.406 4.664 50 10 JJGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN3CCc4c(F)cccc4[C@@H]3C2)n1 1868277894 LRVUMCXTUYINJZ-QFIPXVFZSA-N 460.582 4.914 50 10 JJGE CN(C[C@@H]1C[C@H]1Br)C(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 1910142009 CPOPBZHQVCNLMQ-SMDDNHRTSA-N 462.182 4.652 50 10 JJGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1csc(Br)c1Br 2042544295 CHCBOYJMVMGORS-HSLWUYEYSA-N 458.013 4.565 50 10 JJGE C=CCC[C@@H](CBr)NC(=O)c1ccc(I)c(Br)c1 2075340408 DBHNWQNQCXZYRS-JTQLQIEISA-N 486.973 4.513 50 10 JJGE COCC12CC([C@H](Br)c3sc(Br)cc3Br)(CO1)C2 2085225342 BRRBDLWCMXXCRX-VOMCLLRMSA-N 461.013 4.905 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@H](Br)C2(CCC2)C1 2108693155 DBPYVUQSJRAJEH-LBPRGKRZSA-N 451.984 4.601 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@H]2CC[C@H](Br)[C@H]1C2 2148753723 XJAJVNHNDHNPAK-SUZMYJTESA-N 466.011 4.990 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 2150958246 LBQDGWZXQHORNH-TVYUQYBPSA-N 466.011 4.847 50 10 JJGE C[C@H]1CN(C(=O)c2cc(I)ccc2Br)CC[C@H]1CCCl 2172472126 GGNIYTVDUMJXOF-WDEREUQCSA-N 470.576 4.781 50 10 JJGE Cc1cccc(C(=O)NCC[C@H]2CCCC[C@@H]2Br)c1I 2179634759 JAUHAQIPNHDDTD-OCCSQVGLSA-N 450.158 4.673 50 10 JJGE CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(CBr)c2Cl)C1 2179830805 PBFBRNMKDQVUMR-OAHLLOKOSA-N 492.266 4.783 50 10 JJGE CC(C)C[C@H](CBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277927241 KZDYNPPJUBZZOX-CYBMUJFWSA-N 456.016 4.680 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@H]2CC[C@H](Br)[C@H]1C2 2283664832 SKPQPYRHGGGNDR-OLUVUFQESA-N 468.560 4.723 50 10 JJGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(CC)cc1 2314593043 GKWBTGKDHJGVMC-NRFANRHFSA-N 451.979 4.631 50 10 JJGE CC(C)[C@H]1C[C@@H](Br)CN1C(=O)c1scc(Br)c1Br 2321382938 YMLHKNBLCJUUKW-VXNVDRBHSA-N 460.029 4.907 50 10 JJGE FC1(F)C[C@@]1(CBr)COCc1cc(I)ccc1Cl 2327259315 LWVOMZSRCNIYDO-LLVKDONJSA-N 451.476 4.882 50 10 JJGE N#CC(=Cc1cccc(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Br 2329698781 JKCUZJWITWCNRA-UHFFFAOYSA-N 451.074 4.665 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CCC2CC1(CBr)C2 2336445165 QZJVQJMKQNWJQU-UHFFFAOYSA-N 451.984 4.601 50 10 JJGE Cc1nc(OCc2ccc(I)c(Br)c2)nc(C)c1CCl 2377636629 PPLOBQOAQFTHAD-UHFFFAOYSA-N 467.532 4.778 50 10 JJGE CC(C)COc1ccc(C(=O)NNC(=O)Cc2cccc3ccccc23)cc1Br 14653066 OFBLFTAYUYXXSQ-UHFFFAOYSA-N 455.352 4.641 50 10 JJGE C=CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Oc1ccc(Br)cc1 20311296 VUJDXFYBWSWHBH-AEOXGOBCSA-N 482.172 4.694 50 10 JJGE C=CCc1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 33745864 VKHBRBWEMZWYMB-YMSBRDKKSA-N 491.544 4.503 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)ccc1OCc1ccccc1F 34701959 SODHXAMJCWRWRM-YVLHZVERSA-N 463.421 4.573 50 10 JJGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc21 38650019 PSSHRLPFYMOICS-XMMPIXPASA-N 462.889 4.551 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@H]1c1ccccc1F 38651893 CQOFZCWWFMOODI-HSZRJFAPSA-N 450.853 4.682 50 10 JJGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1 38682629 HMHBSOLUWUMVOP-QFIPXVFZSA-N 459.483 4.754 50 10 JJGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Oc1ccc2ccccc2c1 40687849 SARLDVSFBXSIDF-UHFFFAOYSA-N 450.296 4.524 50 10 JJGE Cc1cccc2sc(Nc3ncnc(NNC(=O)C(c4ccccc4)c4ccccc4)c3N)nc12 40783487 JQYRSTOLKMBCSM-UHFFFAOYSA-N 481.585 4.996 50 10 JJGE COc1cc(/C=C(\C#N)c2ccccc2)ccc1OC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O 40851131 PYGSGJLDVTXAQJ-OLCSVKTNSA-N 480.520 4.986 50 10 JJGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)/C=C/c2ccc(OC)c(Br)c2)c1 40926743 DQRQZPRCQNPZFG-YBUNMWENSA-N 456.292 4.547 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)CSCc2ccccc2Cl)cc1 59166831 JYVHRXNUXVUIRA-AFUMVMLFSA-N 489.018 4.800 50 10 JJGE C#CCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1OC 59377734 YMWXIEBTRDYWPP-OGLMXYFKSA-N 450.579 4.950 50 10 JJGE CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1C 72102605 FBIDPYRHSQSWRE-CPNJWEJPSA-N 489.498 4.698 50 10 JJGE Cc1cc2nc3c(nc2cc1C)[C@@]1(C(=O)NNC(=O)c2ccccc2Cl)CC[C@@]3(C)C1(C)C 100945766 VFKGMNDFZHZYQZ-CLJLJLNGSA-N 462.981 4.690 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1 101334647 WTHAWQZIFNBXSQ-ZVHZXABRSA-N 466.541 4.796 50 10 JJGE Cc1cccc2c(N[PH](c3ccccc3)(c3ccccc3)c3ccccc3)cc3nnnn3c12 101629550 KYYOQDOPCVUGOR-UHFFFAOYSA-N 461.509 4.639 50 10 JJGE Cc1sc(-n2c(C)cc(C=NNC(=O)Cn3cc(C#N)c4ccccc43)c2C)c(C#N)c1C 252640624 YVVQYPULNKKGLL-UHFFFAOYSA-N 454.559 4.621 50 10 JJGE CN(c1ccccc1)c1ccc(C=NNC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1 254799988 BVHUTAVVCPHKID-UHFFFAOYSA-N 465.557 4.655 50 10 JJGE COc1ccc(C(=O)Oc2cccc(C=NNC(=O)COc3cc(C(C)C)ccc3C)c2)cc1 254838215 KHHJIHJNBLPROJ-UHFFFAOYSA-N 460.530 4.875 50 10 JJGE CC(CCc1ccc2c(c1)OCO2)=NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 254911813 PRYJHPPTFULTLV-UHFFFAOYSA-N 499.976 4.608 50 10 JJGE Fc1cccc(F)c1[C@H](Br)c1cc(I)cc2c1OCC2 394415806 UFGHLWDGVGWAGR-CQSZACIVSA-N 451.048 4.989 50 10 JJGE Clc1ccc(I)c(CN2C[C@@H]3CC[C@@H](Br)C[C@H]3C2)c1 405314892 WGXMQOTYCBWSIZ-GMXVVIOVSA-N 454.577 4.940 50 10 JJGE CC(C)c1ccc(OCC(=O)NN=Cc2ccc(Br)cc2)c(Br)c1 1084341821 FPMOYFKCOLIWKM-UHFFFAOYSA-N 454.162 4.864 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 1084413509 PNFVDEMOJVLNPA-RCCKNPSSSA-N 488.975 4.702 50 10 JJGE CC(=O)c1cc(Br)ccc1OCC(=O)NNc1ccccc1Cc1ccccc1 1469846644 HVMJQLWCSQFPQJ-UHFFFAOYSA-N 453.336 4.765 50 10 JJGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1C(=NNC(=O)c1ccccn1)CCC2 1772747923 WDBXNQLCNQZIPL-UHFFFAOYSA-N 456.424 4.725 50 10 JJGE COc1ccc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc1Br 1772755258 XTFIQNQLTRASEB-UHFFFAOYSA-N 462.394 4.824 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)ccc1O 1865681017 CNRSNPOSOIDOQP-QHCPKHFHSA-N 450.498 4.862 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1OC 1865696146 XPCQYTBZLKNPAY-QFIPXVFZSA-N 468.916 4.658 50 10 JJGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)c1O 1865697310 ZGSRMUXTXXEDQM-SFHVURJKSA-N 487.741 4.529 50 10 JJGE N#CSc1ccc(NC(=O)CNC(=O)C[C@H](c2ccccc2)c2ccc(F)c(F)c2)cc1 1868155592 OVLRPJFIKCJRNJ-HXUWFJFHSA-N 451.498 4.815 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@H](Br)Cc1ccc(Br)c(Cl)c1 1884186849 JLLDNXITJXLWDW-LLVKDONJSA-N 457.549 4.705 50 10 JJGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC(Br)C1 1886115875 HCVUGDKTBDMMOQ-GPALAKJJSA-N 485.422 4.982 50 10 JJGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)Cc2ccc(CBr)cc2)C1 1985931739 HZRZMDHVRMGRIX-UHFFFAOYSA-N 475.427 4.566 50 10 JJGE O=C(c1csc(Br)c1Br)N1CC[C@H](Br)C2(CC2)C1 2032953785 QCGXGUZYKIEUOA-QMMMGPOBSA-N 458.013 4.663 50 10 JJGE CC(C)[C@@H](Br)c1cn(-c2ccc(I)c(Br)c2)nn1 2057430128 WQWKMKQRZOSLKB-GFCCVEGCSA-N 484.961 4.726 50 10 JJGE O=C(c1cccc(Br)c1Br)N1[C@H](CBr)[C@H]2CC[C@@H]1C2 2122171790 JOVHHEZYFPSJMD-YGOYTEALSA-N 451.984 4.600 50 10 JJGE COc1cc(F)c([C@@H](Br)c2c(Br)cnn2C)cc1Br 2138161383 PWKCZJMGCVUWLH-LLVKDONJSA-N 456.935 4.577 50 10 JJGE COc1cc(F)c([C@@H](Br)c2cn(C)c(Br)n2)cc1Br 2138163759 YTYDCGVRSQHERU-LLVKDONJSA-N 456.935 4.577 50 10 JJGE Cc1cc(S(=O)(=O)N(C)Cc2cc(Br)cs2)sc1CBr 2179820495 YSDMCJSHPYQOMI-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE C[C@H](Cl)c1nc2cc(I)ccc2n1C[C@@H]1COCCN1Cc1ccccc1 2194649434 MOJLCKRMOWVJHN-MAUKXSAKSA-N 495.792 4.842 50 10 JJGE O=S1(=O)CCC[C@@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)C1 2225615340 GMXNCGXQYZODCM-JMCQJSRRSA-N 479.003 4.612 50 10 JJGE O=C(N[C@H]1CCCC[C@@H]1CCBr)c1c(F)cccc1I 2282810803 XEONJTPCASCZBU-MFKMUULPSA-N 454.121 4.504 50 10 JJGE CC(C)(CBr)[C@H]1CCCN1C(=O)c1ccc(Cl)c(I)c1 2283663052 SUWQWZDFNRBWHL-CYBMUJFWSA-N 470.576 4.970 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1CCC[C@@H]1CCBr 2295314504 YVKSQQNGBXPLPF-RISCZKNCSA-N 468.027 4.824 50 10 JJGE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCC(C)C)c(OC)c3)C(C)=C(C#N)C2=O)cc1 2314620023 JHRVBDJESLGNDR-UHFFFAOYSA-N 474.557 4.574 50 10 JJGE COc1cc(C=C(C#N)c2nc(O)c3ccccc3n2)cc([N+](=O)[O-])c1OCc1ccccc1 2323839098 IHMUSPPSCJHXEA-UHFFFAOYSA-N 454.442 4.895 50 10 JJGE C[C@H](Br)[C@H](NCc1cc(I)ccc1Cl)C(F)(F)F 2327406725 MAIXKJXIYGMHNV-WKEGUHRASA-N 456.471 4.749 50 10 JJGE O=S1(=O)CC[C@H]([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)C1 2335369852 WIASRFAQUPGOLR-SSDLBLMSSA-N 454.970 4.766 50 10 JJGE C=CC[C@@H](Br)[C@H]1CCN1C(=O)c1cc(I)ccc1Br 2335809225 DWOJKBXDQJDKBT-CHWSQXEVSA-N 498.984 4.608 50 10 JJGE C[C@H]1C[C@H](Br)CCN(C(=O)c2ccc(Cl)cc2I)C1 2340065934 NRCDONANYFGNGH-VHSXEESVSA-N 456.549 4.580 50 10 JJGE CC(C)c1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c(Br)c1 14665914 FNOWTWVDYFRCPY-MRXNPFEDSA-N 491.426 4.864 50 10 JJGE Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1 15986078 ZQHWIPXRYHYYEJ-UHFFFAOYSA-N 457.530 4.963 50 10 JJGE COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccc(C)cc2)nc2c(C)cccn2c1=O 39858560 NXSVAFKYIQYHAQ-CYVLTUHYSA-N 466.497 4.658 50 10 JJGE Cc1c(C(=O)NCCc2cccs2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825971 SQSFEYZBIUWOGT-ZTKZIYFRSA-N 472.570 4.641 50 10 JJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)c(C)c2)c(OCC)c1 40867304 WKSQFLNITNDLSM-GZTJUZNOSA-N 488.334 4.611 50 10 JJGE O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 58914638 NQPMGPFLSKLACI-KIBLKLHPSA-N 480.786 4.616 50 10 JJGE COc1ccc(CCN(C(=O)CCl)[C@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)cc1OC 97915036 ILTGITNDOKQOPR-DEOSSOPVSA-N 493.431 4.767 50 10 JJGE CCC(CC)[C@H](Br)CNS(=O)(=O)c1cc(Cl)c(Br)s1 230663932 XWRYPUDDVRCFMZ-MRVPVSSYSA-N 453.649 4.642 50 10 JJGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1)c1ccc(O)cc1 254852971 BZYUWAIPRGTGSC-UHFFFAOYSA-N 480.476 4.595 50 10 JJGE CC1(C)CN(C(=O)c2cc(Br)ccc2Br)CC[C@@H]1Br 311956031 HDSMFJFYQFFCGP-LBPRGKRZSA-N 454.000 4.847 50 10 JJGE C[C@H](CBr)[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 696801664 BFZQIMGAGWNMEQ-PSASIEDQSA-N 465.660 4.738 50 10 JJGE Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCC(NC(=O)c4ccoc4C)CC3)c2C)cc1 727332916 MVVWXTCFWKAYRH-XQNSMLJCSA-N 470.573 4.632 50 10 JJGE Cc1ccc(OCCNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c(C)c1 818056700 FZDAJXHRQZUDEO-QNGOZBTKSA-N 473.964 4.836 50 10 JJGE CC(C)c1ccc(S(=O)(=O)c2ccc(NNC(=O)[C@H]3Cc4ccccc4S3)cc2)cc1 821886282 AGCORWOBVPBPKJ-HSZRJFAPSA-N 452.601 4.803 50 10 JJGE CCOc1ccc2nc(Sc3ccc(C=NNC(=O)c4cccnc4)cc3[N+](=O)[O-])sc2c1 1083886615 IVROPPJPMSKNOW-UHFFFAOYSA-N 479.543 4.913 50 10 JJGE CC(=O)N1CC[C@@H](NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)c2ccccc21 1127177903 VCDLZEHUQIZWKT-OWXSRONMSA-N 452.558 4.924 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](CI)C1 1614618236 XOQOFNMUESPDIO-NWDGAFQWSA-N 466.703 4.634 50 10 JJGE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NNC(=O)Nc1ccc(Br)cc1 1633798207 BYESBVRKEQPMOS-ZHACJKMWSA-N 458.234 4.604 50 10 JJGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1C(=NNC(=O)c1ccncc1)CCC2 1772745892 NFRWGOYKPFWVMQ-UHFFFAOYSA-N 456.424 4.725 50 10 JJGE Cc1c(C(=O)NC2CCCCC2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772748440 XPYUQUGIJRPVMY-UHFFFAOYSA-N 485.400 4.640 50 10 JJGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(OCC)c1)C(C#N)=C(N)O2 1865681113 FHZJUAORFBYMAM-OAQYLSRUSA-N 450.926 4.801 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc(Br)c1O 1865689263 OEGISAUQOACWCA-LJQANCHMSA-N 495.377 4.901 50 10 JJGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865706709 CYXODTGPPVPEOC-QFIPXVFZSA-N 464.953 4.773 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865712658 DXDTZTZOKXOXTI-HSZRJFAPSA-N 497.486 4.872 50 10 JJGE COc1ccc(CCN2C[C@H](/C(O)=C(\C#N)c3nc(-c4cccs4)cs3)CC2=O)cc1OC 1872750944 VPEVMUPAQPFCFT-VKQKCINQSA-N 481.599 4.773 50 10 JJGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCCS2(=O)=O)c1Br 1922906570 KUXPOOGWWVUWAR-POYBYMJQSA-N 467.042 4.595 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCCN(C(=O)OC(C)(C)C)C12CCC2 2020574977 LMJXSABDXQYKJH-QGZVFWFLSA-N 475.721 4.804 50 10 JJGE C[C@H]1CN(C(=O)c2csc(Br)c2Br)C[C@]1(C)CBr 2032955635 BZUQODHHVUPIIG-MADCSZMMSA-N 460.029 4.766 50 10 JJGE COc1cc(C=C(C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc(Br)c1O 2040447367 SAFCBLXOABGCIF-UHFFFAOYSA-N 463.136 4.808 50 10 JJGE CC[C@@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@@H]1CBr 2084898249 JERDWWNUBUIGPO-SFYZADRCSA-N 460.029 4.766 50 10 JJGE CC1(C)[C@@H](CBr)CCN1C(=O)c1ccc(Br)cc1Br 2095211437 AVYPZLWMJNNKMY-SECBINFHSA-N 454.000 4.847 50 10 JJGE CN(C(=O)c1ccc(I)c(Br)c1)C1CCC(Cl)CC1 2103907099 JJYQNMPXDJOPOR-UHFFFAOYSA-N 456.549 4.676 50 10 JJGE CCCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1csc(CBr)c1 2179823877 OILLUJRUTOAQMF-UHFFFAOYSA-N 471.486 4.708 50 10 JJGE Fc1cc2c(cc1I)nc(CCCl)n2C[C@H]1C[C@H](Br)C1 2196931097 BPLJVNHKDWAPKG-KYZUINATSA-N 471.539 4.735 50 10 JJGE Fc1ccc(F)c([C@@H](Br)c2cc(I)cc3c2OCC3)c1 2203358464 ZPFWDRJYGYAVCC-CQSZACIVSA-N 451.048 4.989 50 10 JJGE Cc1cc(C(=O)N[C@@H](CCBr)C2CCCC2)ccc1I 2207109910 CFYMAKXSWQQBKU-HNNXBMFYSA-N 450.158 4.673 50 10 JJGE CCCN(CCCCCI)CC1CCN(C(=O)OC(C)(C)C)CC1 2214705816 WLWWOXAYBDBTPU-UHFFFAOYSA-N 452.421 4.951 50 10 JJGE C[C@@H]1CC[C@](CBr)(NC(=O)c2ccc(Cl)c(I)c2)C1 2268351528 LRCFQDKWRYKSAN-OTYXRUKQSA-N 456.549 4.628 50 10 JJGE C[C@H](CCBr)CCNC(=O)Cc1cc(Br)cc(Br)c1 2277935145 DVGBLXOVXBNDHY-SNVBAGLBSA-N 456.016 4.682 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@@]2(CCC[C@@H]2Br)C1 2283664137 WRXSGHGPYVOYNB-ZFWWWQNUSA-N 468.560 4.724 50 10 JJGE BrC[C@@H]1CC[C@@H]2CN(Cc3cccc(Br)c3Br)C[C@H]2O1 2289347188 IHMGGBYPOPMISW-SCDSUCTJSA-N 468.027 4.586 50 10 JJGE COc1ccc(CNC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1 2293937599 HFRQQZDMZQZNGP-UHFFFAOYSA-N 463.921 4.678 50 10 JJGE C[C@@H]1CCN(Cc2ccc(I)c(Br)c2)C[C@@H]1Br 2306220121 UCYXOUJOKUSEEO-SKDRFNHKSA-N 472.990 4.659 50 10 JJGE COc1cc(C=C(C#N)c2nc(O)c3ccc(C)cc3n2)ccc1OCC(=O)Nc1ccccc1 2314489460 QAXSLOLTTJOANM-UHFFFAOYSA-N 466.497 4.734 50 10 JJGE Cc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)C(=O)Nc1ccccc1Cl 2314532107 GJVKQSGCGHZZOT-UHFFFAOYSA-N 456.889 4.994 50 10 JJGE O=C(c1csc(Br)c1Br)N1CCC2CC1(CBr)C2 2314870075 DYDBVRZHYSIXPU-UHFFFAOYSA-N 458.013 4.663 50 10 JJGE CC(C)[C@H](Br)C(C)(C)CNC(=O)c1ccc(F)cc1I 2366006238 BSIJKZPWTQYDFN-ZDUSSCGKSA-N 456.137 4.606 50 10 JJGE CC1CCC([C@@H](CBr)NC(=O)c2cccc(I)c2)CC1 2379732372 OXFRNHPQCNYUGC-KOHJWAIASA-N 450.158 4.611 50 10 JJGE O=C(COc1c(Cl)cc(Cl)cc1Br)NNC(=O)Cc1cccc2ccccc12 9779798 CSKTVGNYWJJVPN-UHFFFAOYSA-N 482.161 4.678 50 10 JJGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1ccc(Br)s1 12583687 TXKZKFGIJXMYAE-UBKPWBPPSA-N 497.006 4.565 50 10 JJGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 13980380 KOXXSELQOVIIRZ-GOSISDBHSA-N 451.567 4.559 50 10 JJGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1Cl 38650987 SNSFCFFOCFJRRX-XMMPIXPASA-N 462.889 4.551 50 10 JJGE Cc1ccc2cccc(Nc3ncnc(NNC(=O)c4ccccc4Br)c3[N+](=O)[O-])c2n1 40626772 IGTHJCJMWUKOIN-UHFFFAOYSA-N 494.309 4.504 50 10 JJGE CCOc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 40846877 ZMTDNDJPWRAABZ-JFLMPSFJSA-N 468.937 4.855 50 10 JJGE O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 48572852 IDWYCTSYSONNCU-RPPGKUMJSA-N 490.730 4.955 50 10 JJGE CN(C)c1ccc(C(=O)N/N=C2\C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1 59147529 PZWIEZFRJABEKJ-QYQHSDTDSA-N 467.356 4.740 50 10 JJGE CCCCCOc1ccccc1C(=O)N/N=C/c1c(C)nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 59148766 IZWWPGWUYAPNLK-MFKUBSTISA-N 494.508 4.638 50 10 JJGE ClCCc1nc2cc(Br)cnc2n1-c1ccc(I)cc1 98039908 MOASJXKBDPIRBW-UHFFFAOYSA-N 462.516 4.569 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc(Br)c1OC(C)C 113854993 RUAABPPEINRWDN-OAQYLSRUSA-N 495.377 4.957 50 10 JJGE C[C@@H]1CCC[C@](CBr)(NS(=O)(=O)c2ccc(Br)cc2Cl)C1 136586178 VNCDEWQJPZPBLD-YGRLFVJLSA-N 459.631 4.725 50 10 JJGE COc1cc(Br)cc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1OC 169890049 RDUQWKXCERERQC-MSXFZWOLSA-N 456.340 4.590 50 10 JJGE CC[C@H](C)NC(=O)c1cc2ccc(OC(=O)/C(C#N)=C\c3ccc(C(C)C)cc3)cc2oc1=O 206543214 GTSSUDSYFGNWGR-WCEBZYJUSA-N 458.514 4.957 50 10 JJGE O=C(NC[C@H](Cl)c1ccccc1)c1cc(I)ccc1Br 236039680 GPDGWWKCKIZPCP-AWEZNQCLSA-N 464.528 4.764 50 10 JJGE COc1cc2c(cc1NC(=O)CC(C)=NNC(=O)COc1cccc(C)c1)oc1ccccc12 252462885 XBSYNVMVYJVHDE-UHFFFAOYSA-N 459.502 4.803 50 10 JJGE CCn1c(SCC(=O)NN=Cc2ccc(-c3ccccc3)cc2)nnc1-c1ccc(OC)cc1 254484828 MRXXDQOIPDGHSN-UHFFFAOYSA-N 471.586 4.883 50 10 JJGE Cc1c(CC(=O)NN=C(CSCC(=O)O)c2ccccc2)c2ccccc2n1-c1ccccc1 254495586 ZHTVXEFLLAPKIT-UHFFFAOYSA-N 471.582 4.820 50 10 JJGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3sccc3C)nnc2-c2ccccc2)cc1 254804225 QVIMVPPBIYTLGQ-UHFFFAOYSA-N 477.615 4.945 50 10 JJGE CC(C)(C)[Si](O[C@@H]1CC[C@H]2[C@@H]1OCC(=O)N2Cc1ccccc1)(c1ccccc1)c1ccccc1 503863482 KFRMICKYMZONRP-GKRYNVPLSA-N 485.700 4.522 50 10 JJGE CC1(C)C[C@H](NC(=O)c2cc(I)ccc2Br)C[C@H](Cl)C1 693872444 AUKXOIZNKMAOBI-GXSJLCMTSA-N 470.576 4.970 50 10 JJGE CC(=NNC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 1084023252 NJKYDGUFUQNIES-UHFFFAOYSA-N 487.984 4.832 50 10 JJGE Cc1ccc(Cl)cc1N(CC(=O)NN=Cc1c(F)cccc1Cl)S(=O)(=O)c1ccccc1 1084402872 FVUKHFZVJWMRHD-UHFFFAOYSA-N 494.375 4.787 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)Nc2ccccc2Br)c(C)n1-c1ccc(Cl)cc1 1084463016 YGIIHQGTFVBNNK-UHFFFAOYSA-N 473.758 4.599 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)ccc1OC(C)C 1865696297 DFFWUZFFZIDQRW-QGZVFWFLSA-N 450.461 4.572 50 10 JJGE CCCNCc1cc(Br)cc(Br)c1OC[C@H]1C[C@@H]1Br 1887833837 ZKDLABALYBATTF-PWSUYJOCSA-N 456.016 4.873 50 10 JJGE CC(F)(F)C[C@H](CBr)NC(=O)c1csc(Br)c1Br 2050367719 BKABCIKXJVSILC-RXMQYKEDSA-N 469.971 4.812 50 10 JJGE CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)C(C#N)=Cc1ccccc1 2085267228 YAVZEULINJQYBM-DEOSSOPVSA-N 491.588 4.517 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1[C@H]2CC[C@@H]1C[C@@H](Br)C2 2098700307 VZDBTTURXJXQIR-RTCCRHLQSA-N 451.984 4.742 50 10 JJGE CC1(C)CC[C@@H](Br)CN1C(=O)c1ccc(I)c(Cl)c1 2099877542 CSIGDSWZTOMPGE-SNVBAGLBSA-N 456.549 4.723 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CCC2(CC1)C[C@H]2CCl 2148892944 CJAMFECBKKKUQH-JTQLQIEISA-N 468.560 4.535 50 10 JJGE CN([C@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1cc(CCl)sc1Br 2154839763 MDMFRHQCNYUWJA-OAHLLOKOSA-N 491.904 4.923 50 10 JJGE CN([C@@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(CCl)oc1Br 2156445817 YQWAPUWZXJLILN-WBVHZDCISA-N 476.820 4.785 50 10 JJGE COc1ccc([C@H](Br)c2cc(I)ccc2F)cc1OC 2169668037 LXMHORRQPMATGO-HNNXBMFYSA-N 451.073 4.932 50 10 JJGE CC(C)[S@@](=O)(=NCc1ccc(CBr)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2183215508 JEWKRCKKEZNAJM-CLYVBNDRSA-N 459.450 4.967 50 10 JJGE COC[C@]1([C@@H](Br)c2cc(Br)c(Br)cc2F)CCCO1 2225617602 UWFOEMXIWQRCRW-STQMWFEESA-N 460.963 4.982 50 10 JJGE CC(C)c1cc(Br)cc(C(=O)N2CCC(CI)CC2)c1 2280737208 NCZPBKZXMZEGCY-UHFFFAOYSA-N 450.158 4.860 50 10 JJGE CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)cc1C(=O)N[C@H]1C[C@H](Br)C1 2295178883 AUZMORWFLYIKIJ-MGCOHNPYSA-N 453.255 4.588 50 10 JJGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592142 MMCMCYSTWXSTPF-DEOSSOPVSA-N 485.565 4.769 50 10 JJGE F[C@@]1(CBr)CCCN(Cc2ccc(I)c(Br)c2)C1 2325225136 COZQAENLIAVUMG-CYBMUJFWSA-N 490.980 4.753 50 10 JJGE CC1(C)CN(C(=O)c2ccc(Cl)cc2I)CC[C@H]1Br 2340056077 WBDKVLGUZBPPIV-GFCCVEGCSA-N 456.549 4.580 50 10 JJGE COc1cc(Cl)c(CBr)c(-n2nc(C)c(I)c2C)c1 2340235325 MNMUNUJAHHSWAZ-UHFFFAOYSA-N 455.521 4.651 50 10 JJGE ClC[C@]12CCC[C@@]1(CNCc1ccc(I)c(Br)c1)C2 2349836511 QGKMLHCJERKLHP-CABCVRRESA-N 454.577 4.943 50 10 JJGE COc1ccc(CO[C@@](C)(CBr)CNC(=O)OC(C)(C)C)c(C(F)(F)F)c1 2364638467 UAPBASLGHZMRIO-KRWDZBQOSA-N 456.299 4.909 50 10 JJGE O=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 13982110 YEIHPKRQLQMHCZ-OBGWFSINSA-N 481.577 4.621 50 10 JJGE CC(C)CCOc1ccccc1C(=O)NNC(=O)COc1ccc2ccccc2c1Br 14033688 NXWYHPVFQSMKGV-UHFFFAOYSA-N 485.378 4.867 50 10 JJGE O=C(NNC(=O)c1ccccc1Cl)c1ccc(OCCc2ccccc2)c(Br)c1 14669669 NSUGZGOZBGVSSN-UHFFFAOYSA-N 473.754 4.799 50 10 JJGE Cc1cccc(C)c1-n1c(SCC(=O)/C(C#N)=C2/Nc3ccccc3N2C)nc2ccccc2c1=O 16908501 VCSFWLHITGJXTP-QOMWVZHYSA-N 493.592 4.961 50 10 JJGE C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 20352668 XYTCVPLJYCGJNV-OEZLLYBRSA-N 493.947 4.937 50 10 JJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1 38650622 CQUIGKOMUVEYHM-MHZLTWQESA-N 470.525 4.986 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)c1OC 38658723 ZPYLFBXSFCRWQF-JOCHJYFZSA-N 462.889 4.795 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(C)cc1 40926963 HJACKINSZLNBEU-SPUJTINSSA-N 456.498 4.829 50 10 JJGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCc2ccccc2)c1 102684331 RETHKRIIFNSYOI-JCMHNJIXSA-N 464.525 4.635 50 10 JJGE CC(C)(C)OC(=O)N1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]2C[C@H]21 196019570 ODRNZAUJSRETPG-AWRGLXIESA-N 451.683 4.961 50 10 JJGE COC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(-c3ccc(C)cc3)cc2)c(OC)c1 206253563 FPVSHDTWJHBNEP-HMAPJEAMSA-N 457.482 4.735 50 10 JJGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2cccc(C)c2)cc1 254300986 XWACUURVXRDTJS-UHFFFAOYSA-N 465.509 4.765 50 10 JJGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1cnccn1 254519687 ORTWNLZNAMZBQW-UHFFFAOYSA-N 474.524 4.672 50 10 JJGE O=C(NN=Cc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(CSc2nc3ccccc3s2)cc1 254738164 KKMVJRBXYGUGDY-UHFFFAOYSA-N 492.538 4.989 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](c2cc(I)ccc2F)[C@@H](CBr)C1 382734600 WGQXZZWYHRPOBR-GWCFXTLKSA-N 484.147 4.776 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CCC(CCCCl)CC1 401093934 WLHXFJUITLSURK-UHFFFAOYSA-N 470.576 4.925 50 10 JJGE BrCc1c(Br)cccc1N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 404143945 GXZCIZCTSXVQMS-LEWJYISDSA-N 480.244 4.824 50 10 JJGE CC(C)(C)CN(CCBr)S(=O)(=O)c1cc(Br)ccc1Br 690943843 PSSFPZNUPNCWBD-UHFFFAOYSA-N 492.071 4.643 50 10 JJGE C[C@@H]1CCN(C(=O)c2cc(Br)ccc2Br)C[C@H]1CBr 700431622 ITPNMVWYWKOMDN-NXEZZACHSA-N 454.000 4.705 50 10 JJGE C[C@H]1CN(C(=O)c2cc(Br)c(Br)s2)C[C@@]1(C)CBr 703736102 QYEHWLWFHYJMIS-JVXZTZIISA-N 460.029 4.766 50 10 JJGE Cn1cc(C[C@@H](CBr)Cc2ccccc2Br)c(Br)n1 714088710 ORVYFYJOWCXMHX-JTQLQIEISA-N 451.000 4.741 50 10 JJGE CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)c1C 855901947 FHZWDSZMMINDHG-RZMOPNSYSA-N 462.594 4.983 50 10 JJGE CCOc1cc(C=NNC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(F)cc1 1084478290 XXWIMBDRMJBGRR-UHFFFAOYSA-N 463.509 4.509 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](c2cc([N+](=O)[O-])ccc2Cl)[C@@H](CI)C1 1614701723 NPIJHVSQVWPMLW-GWCFXTLKSA-N 466.703 4.634 50 10 JJGE Cc1c(C(=O)Nc2nccs2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744074 RMEAWDSHRHBIHU-UHFFFAOYSA-N 473.352 4.530 50 10 JJGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1 1865684769 XVLREGFTOZXXNS-MRXNPFEDSA-N 491.267 4.880 50 10 JJGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(C)cc1 1865692230 DERZMXOANPIYMR-IBGZPJMESA-N 484.478 4.884 50 10 JJGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865700194 MSSQXTFTOMGUFV-HSZRJFAPSA-N 460.497 4.642 50 10 JJGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705833 GUGGJBFVZPTTRA-SFHVURJKSA-N 456.289 4.868 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@H](Cl)CCc1ccc(I)c(Cl)c1 1907284646 HKSLARQRUIQEOL-GFCCVEGCSA-N 474.125 4.781 50 10 JJGE COc1sc([C@@H](Cl)c2cc(I)sn2)cc1Br 1983293432 TYDYCZQORPDFRM-QMMMGPOBSA-N 450.548 4.909 50 10 JJGE COc1sc([C@@H](Br)c2c(Br)nn(C)c2C)cc1Br 2067854497 GGRIUFONXDJYRJ-SECBINFHSA-N 459.001 4.808 50 10 JJGE CCN1CCC[C@@H]([C@@H](Br)c2cc(Br)sc2Br)S1(=O)=O 2089534383 FSIRJQXQYQFJLH-WPRPVWTQSA-N 496.084 4.523 50 10 JJGE FC(F)(F)[C@H]1CN(c2ncc(Br)cc2Br)C[C@@H]1CBr 2106985719 SORXQCQKFDFHMD-XPUUQOCRSA-N 466.921 4.616 50 10 JJGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)CC(F)(F)F)c1C 2123270247 VYZUUUGJDFBBAA-UHFFFAOYSA-N 450.320 4.952 50 10 JJGE C[C@@H](Br)CCc1cn(Cc2cccc(Br)c2Br)nn1 2132761475 OSGUSILFWPMHIM-SECBINFHSA-N 451.988 4.567 50 10 JJGE ClC[C@H](Cc1ccccc1)Nc1ncc(I)cc1Br 2133374052 UKYJDNIZJNJPRZ-LBPRGKRZSA-N 451.533 4.711 50 10 JJGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCCS2(=O)=O)c1Br 2136368544 XPILQTCALWYHCK-GXFFZTMASA-N 475.040 4.842 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@H]2CC[C@@H](Br)[C@H]1C2 2150492888 GEEHCRIWBSPPJT-GIPNMCIBSA-N 466.011 4.990 50 10 JJGE COc1ccc(Br)c(C(=O)N[C@@H](C)CCCCCI)c1 2174527069 PCQQSNQXTSNVAK-NSHDSACASA-N 454.146 4.571 50 10 JJGE CC(C)(C)[C@H]1[C@H](Cl)CCN1C(=O)c1cc(Br)ccc1I 2185114082 NXDFCOXFRFLENW-DGCLKSJQSA-N 470.576 4.922 50 10 JJGE O=C(c1ccc(Br)cc1I)N1C[C@H]2CCC[C@]2(CCl)C1 2207269529 SWIWKGLVCZVKQN-BMIGLBTASA-N 468.560 4.535 50 10 JJGE CC(C)(C)OC(=O)Nc1c[nH]nc1[C@H]1CCCN(CCCCCI)C1 2220223266 NXUFOZJNWPLBOS-AWEZNQCLSA-N 462.376 4.541 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1[C@H]2CC[C@H](Br)[C@H]1CC2 2229864611 HLOGMUSSILCCDE-RWMBFGLXSA-N 451.984 4.742 50 10 JJGE CN(C[C@@H]1CCC[C@H]1Br)C(=O)c1ccc(Cl)c(I)c1 2268339934 JWECADLMOSARMN-WDEREUQCSA-N 456.549 4.580 50 10 JJGE CC1CC(CBr)(CN2CC[C@H](C(F)(F)F)C[C@@H]2CNC(=O)OC(C)(C)C)C1 2280053474 AMOZPMKFJWJLEG-QRHJNKNDSA-N 457.375 4.965 50 10 JJGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1 2314737429 JYVITEXWZKYHDK-UHFFFAOYSA-N 470.525 4.778 50 10 JJGE COc1ccc(-c2ccc(C(=O)NN=Cc3ccc(F)c(Br)c3)c(C)n2)cc1OC 2321248548 YZEHYWFOXNCJLL-UHFFFAOYSA-N 472.314 4.740 50 10 JJGE Oc1nc2cc([C@@H](Br)c3cnsc3Br)c(Br)cc2[nH]1 2337304347 SBZIOVJYJBQHMG-SECBINFHSA-N 467.968 4.734 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1OCCO[C@H]1C 2339650466 GJISENSPPKUFSM-XDYOCTJHSA-N 460.963 4.899 50 10 JJGE C[C@]1(CCl)CC(F)(F)CN1Cc1ccc(I)c(Br)c1 2349842330 XIAMBSBUWWAHKW-GFCCVEGCSA-N 464.519 4.892 50 10 JJGE COc1c(Br)cc(C)c([C@@H](Br)C2COCCOC2)c1Br 2365195709 DTCDWDWSHAKTTJ-LBPRGKRZSA-N 472.999 4.628 50 10 JJGE CC(C)[C@H](Br)C(C)(C)CNS(=O)(=O)c1cc(Cl)c(Br)s1 2365861449 MNPRJZCAUZWPCQ-JTQLQIEISA-N 467.676 4.888 50 10 JJGE Cc1c(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)c2ccccc2n1Cc1ccccc1 2067182 XWXZUCYUUJOVEO-WKULSOCRSA-N 458.949 4.532 50 10 JJGE C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C\c2ccc(C(C)C)cc2)c(OC)c1 2888122 PMKKFLZTYRICAT-WAJXZNKBSA-N 455.514 4.540 50 10 JJGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)COc1ccc(C)cc1Br 10683471 DDRCWZQVBNRMGO-QFBILLFUSA-N 477.399 4.655 50 10 JJGE CC(C)COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2N)cc1 40782987 HZAVRTGKZRSXPN-UHFFFAOYSA-N 489.363 4.679 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 58894781 PGQGFDUNGRTGHO-LPGPRXSPSA-N 471.897 4.871 50 10 JJGE Cc1ccc(NC(=O)c2nc(NNC(=O)/C=C\c3ccc(Cl)cc3)ncc2Cl)cc1C 97472332 GANBEORIBSTVJH-POHAHGRESA-N 456.333 4.809 50 10 JJGE CCCCCOc1ccc(/C=N\NC(=O)CSc2nc3ccccc3n2C)cc1OCC 169876364 CJZKSXXYRJUZKF-XYGWBWBKSA-N 454.596 4.783 50 10 JJGE Cc1c(C=NNC(=O)c2ccc(C#N)cc2F)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 252613940 JFEJEESRKOQKSS-UHFFFAOYSA-N 455.449 4.681 50 10 JJGE C/C(C=NNC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1)=C/c1ccccc1 252634113 WKFYCNUAOKZDQB-OTAQZKDMSA-N 452.558 4.729 50 10 JJGE C=CCOc1ccc(Br)cc1C=NNC(=O)c1cc(Br)ccc1OCC 254704055 DORFANNWYGRGPP-UHFFFAOYSA-N 482.172 4.939 50 10 JJGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=C2C(=O)N(CCCC#N)c3ccccc32)cc1 254822752 LJCLSRHBGYWPNJ-UHFFFAOYSA-N 474.605 4.950 50 10 JJGE Cc1cc(Br)c([C@@H](Br)c2cnn(C)c2I)s1 382156166 GMLKOEURWUPWOB-QMMMGPOBSA-N 475.975 4.641 50 10 JJGE CN([C@@H]1CCC[C@@H]1Br)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 709127224 NPTMPCJYBJANAE-GZMMTYOYSA-N 466.022 4.692 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)n1-c1ccc(F)cc1 786604876 BSRDHIRTJLQUCX-UNOMPAQXSA-N 487.447 4.842 50 10 JJGE Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)c3ccc(-c4ccc(F)cc4)o3)cc2)n1 919584425 NYNAQDKZZZNSIC-UHFFFAOYSA-N 476.533 4.860 50 10 JJGE Cc1ccc(C(=O)NN=C2C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc1 1084020874 FSWYQHZATMMMIZ-UHFFFAOYSA-N 466.310 4.578 50 10 JJGE Cc1ccc(N(CC(=O)NN=Cc2cc3ccccc3nc2Cl)S(=O)(=O)c2ccccc2)cc1 1084024440 JKMXQWINAKAJDN-UHFFFAOYSA-N 492.988 4.542 50 10 JJGE O=C(NN=Cc1ccccc1OCc1ccccc1)c1cccc(I)c1 1084063973 BYVSSBHLLRKJFB-UHFFFAOYSA-N 456.283 4.634 50 10 JJGE COc1cc(C=NNC(=O)Cn2cc(Br)cn2)ccc1OCc1cccc2ccccc12 1084426345 HIDSYNOVLZHMTL-UHFFFAOYSA-N 493.361 4.537 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 1084451683 LRLHARHUXMDQJJ-VWLOTQADSA-N 476.573 4.945 50 10 JJGE C#C[C@@H](NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)c1ccc(Cl)cc1F 1635191758 OSCAITAXTHTURH-PZSRYKBRSA-N 457.896 4.654 50 10 JJGE CCOc1ccc(C=NNC(=O)CCCOc2ccc(C)cc2Br)cc1OCC 1772755414 GMMYDBXYNYJVIR-UHFFFAOYSA-N 463.372 4.864 50 10 JJGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc3c(c2)OCCO3)cc1 1865697717 ADNRGYFEMGWGRF-XMMPIXPASA-N 462.509 4.837 50 10 JJGE COc1ccc(Br)cc1C(=O)N(C)C[C@@H](Br)COCc1ccccc1 1916334132 CLQDEYYZYQQOHY-MRXNPFEDSA-N 471.189 4.510 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@]2(CCC[C@H]2Br)C1 1918949639 YSJCQQNSDGBCNJ-IUODEOHRSA-N 466.011 4.991 50 10 JJGE CC[C@@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@H]1CBr 2084898247 JERDWWNUBUIGPO-HTQZYQBOSA-N 460.029 4.766 50 10 JJGE O=C(c1cc(I)ccc1Br)N1C[C@@H](Br)CC12CCC2 2099390741 AGOQJXZQXJJIMT-VIFPVBQESA-N 498.984 4.586 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@H](Br)[C@H]2CC[C@@H]21 2133721507 CQIDXUSLSWJZCJ-CDMKHQONSA-N 451.984 4.600 50 10 JJGE CN(C(=O)c1ccc(Br)cc1I)[C@@H]1CCCC[C@@H]1Cl 2142285641 RZAFYICNUPWCLB-WCQYABFASA-N 456.549 4.676 50 10 JJGE CCC[C@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@@H]1CCl 2205698414 QUNFRGBZWIVMHO-QWRGUYRKSA-N 470.576 4.781 50 10 JJGE C[C@H]1[C@H](Br)C[C@@H](C)CN1C(=O)c1cc(Cl)ccc1I 2227595838 XJRGLPAOLTVRHI-VDDIYKPWSA-N 456.549 4.579 50 10 JJGE CCN(c1ncc(C(F)(F)F)cc1I)[C@@H]1CCC[C@@H]1Br 2232617768 KOCZTSJMBPLRRL-GXSJLCMTSA-N 463.079 4.847 50 10 JJGE Cc1ccc(C(=O)NC[C@@H]2CCC[C@H](CBr)C2)cc1I 2232828944 STFSIBWZVITQRB-QWHCGFSZSA-N 450.158 4.531 50 10 JJGE N#CC(=Cc1cccn1Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccc2c(c1)OCO2 2295415645 PHRSAQICADVNOO-UHFFFAOYSA-N 454.313 4.795 50 10 JJGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2296506846 HUGHCEGIPZTNPJ-XMMPIXPASA-N 471.557 4.611 50 10 JJGE CC[C@](C)(CO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)C(F)F 2299750057 PJCJMDUKUODAOC-SJORKVTESA-N 461.331 4.889 50 10 JJGE BrC[C@H](NCc1ccc(I)c(Br)c1)C1CCC1 2306224043 MDZBMFPTYSVWCR-ZDUSSCGKSA-N 472.990 4.707 50 10 JJGE COC(=O)c1ccccc1NC(=O)C(C#N)=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 2314570998 ANFDWRRIVXOAHK-UHFFFAOYSA-N 451.822 4.840 50 10 JJGE COC(=O)C(C#N)=Cc1cccc(OC(=O)COc2ccc(C(C)C)cc2Br)c1 2314770721 VBJXKNYKNJODGR-UHFFFAOYSA-N 458.308 4.637 50 10 JJGE CC(C)(CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1I)Cc1ccccc1 2316845401 KXRNCEKVZVPWIN-IAGOWNOFSA-N 459.368 4.695 50 10 JJGE N#CC(=CN1CCN(c2cccc(Cl)c2)CC1)C(=O)NC(c1ccccc1)c1ccccc1 2324834504 MOABDXPFISVHLJ-UHFFFAOYSA-N 456.977 4.775 50 10 JJGE C[C@@H](NC(=O)C(C#N)=CNCCc1ccccc1Br)c1ccc2c(c1)CCCC2 2325118903 CTGGLXCWPLFIGV-QGZVFWFLSA-N 452.396 4.745 50 10 JJGE C[C@@H]1C[C@H](CBr)CN(Cc2ccc(I)c(Br)c2)C1 2325221609 HOHVASCPBYUADF-ZYHUDNBSSA-N 487.017 4.907 50 10 JJGE N#CC(=Cc1ccc(OCC(=O)Nc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 2331030227 KKCXXUAUIVHFFV-UHFFFAOYSA-N 452.919 4.696 50 10 JJGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2ccc3c(c2)OCO3)cs1 2331337255 MHJNIQVWJHVPST-UHFFFAOYSA-N 497.488 4.878 50 10 JJGE FC1(F)CN(Cc2cc(I)ccc2Cl)CC[C@H]1CBr 2352411304 MKRWPTWLBJTZQH-JTQLQIEISA-N 464.519 4.797 50 10 JJGE CCc1ccc(OCC(=O)NNC(=O)[C@H](CC)Oc2ccccc2[C@@H](C)CC)c(Br)c1 10683672 NBJUIJQUXQGGSI-JXFKEZNVSA-N 491.426 4.909 50 10 JJGE Cc1cccc(OCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)c1C 14766884 JYTJBXKTVFLPJT-UHFFFAOYSA-N 497.389 4.527 50 10 JJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1 38683240 OHXLVTSCEAPDIK-JOCHJYFZSA-N 460.873 4.564 50 10 JJGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)c1 38684615 CIXNJXDRECQIGN-XMMPIXPASA-N 469.453 4.597 50 10 JJGE Cc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O 39858589 OBRVOSDOGIEOMR-VKAVYKQESA-N 456.889 4.994 50 10 JJGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812093 ZVRYRAYRAJYRLJ-NLRVBDNBSA-N 482.334 4.779 50 10 JJGE CCOC(=O)c1c(NC(=O)N/N=C/c2cccc(Br)c2)sc2c1CC[C@@H](C)C2 40851464 NCOVMKCJSDKLDL-VTGBELTLSA-N 464.385 4.968 50 10 JJGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1OCc1ccccc1C 98063433 CIXPCSWOERXEFL-BKUYFWCQSA-N 456.498 4.900 50 10 JJGE CCS(=O)(=O)CCCC(CBr)(CBr)c1ccc(Br)cc1 118878557 SAOJABFINLPKQM-UHFFFAOYSA-N 491.083 4.692 50 10 JJGE COC1=CC=C/C(=C\NNC(=O)c2cc(-c3cccc(OCC(C)C)c3)nc3ccccc23)C1=O 135999771 GZUJNEQKOJNOOH-CAPFRKAQSA-N 469.541 4.724 50 10 JJGE Nc1nc2ccc(CC(=O)N/N=C\c3ccc(OCc4ccccc4)c(Cl)c3)cc2s1 169917191 RRVPVPYXTYEZEH-ZMFRSBBQSA-N 450.951 4.804 50 10 JJGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)OCC)cc2OC)cc1OC 206236024 QZPJRLJQSWPKMK-INBJJMLYSA-N 465.502 4.581 50 10 JJGE CN1Cc2cc([C@@H](Br)c3sccc3I)ccc2NC1=O 312943692 QDJLSTFUWNJMNJ-GFCCVEGCSA-N 463.138 4.814 50 10 JJGE O=C(N[C@@H](CBr)CC(F)(F)F)c1cc(Br)sc1Br 717845283 WEJTVRHHGAPZIQ-SCSAIBSYSA-N 473.934 4.719 50 10 JJGE O=C(NCC1(CCl)CCCC1)c1ccc(I)c(Br)c1 721615594 CRMPZVDFZDXCEA-UHFFFAOYSA-N 456.549 4.583 50 10 JJGE COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 914472065 HCZRHYVCEADWIR-HDAKKWKLSA-N 459.937 4.910 50 10 JJGE C[C@@H]1CCCCN1CCCCNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 920471310 CWIUVXOKGBMIIO-KTXUMSRNSA-N 479.028 4.795 50 10 JJGE N#C/C(=C/c1cn(CCOc2ccccc2)c2ccc(Br)cc12)C(=O)NC[C@H]1CCCO1 1084216871 IKYXOXBBIXELBL-ZAVKOYKVSA-N 494.389 4.685 50 10 JJGE N#C/C(=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 1084411541 FNUVLJCAXXLVSL-PTGBLXJZSA-N 491.551 4.854 50 10 JJGE CC(=O)c1cc(Br)ccc1OCC(=O)NNc1ccccc1Oc1ccccc1 1469849673 WPWBAOHJRBHRMB-UHFFFAOYSA-N 455.308 4.966 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)nc1 1772750028 VTMIQQFFLKSRMC-UHFFFAOYSA-N 494.367 4.533 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865687726 YWHWUHTWUBNRSW-HSZRJFAPSA-N 450.498 4.780 50 10 JJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1 1865708544 AWKOYXQGMJVWMV-IBGZPJMESA-N 482.462 4.572 50 10 JJGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2[N+](=O)[O-])cc1 1865710338 VTLTYHGEQMAHCJ-JOCHJYFZSA-N 465.469 4.674 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1 1866936962 RIBYYPCGERMYFI-SGNDLWITSA-N 475.545 4.574 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@H](Br)Cc1cc(Cl)cc(Br)c1F 1887414083 GEVPWLWLQMSRCS-SNVBAGLBSA-N 475.539 4.844 50 10 JJGE C[C@H](Br)CN(Cc1ccccc1)C(=O)Cc1ccccc1I 1914656878 JTWOIMCDMBFTCR-AWEZNQCLSA-N 472.164 4.646 50 10 JJGE C[C@H]1C[C@H](Br)[C@H](C)CN1C(=O)c1cc(Br)c(Br)s1 2032199746 HLJZVTSAQJCXSG-CSMHCCOUSA-N 460.029 4.907 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@@H](Br)[C@@H](C2CC2)C1 2032954140 XNPSHZJTDDVSFQ-VXNVDRBHSA-N 458.013 4.519 50 10 JJGE CCN(C[C@](C)(CI)O[C@@H]1[C@H]2CC[C@H]3[C@@H](C2)C[C@H]31)C(=O)OC(C)(C)C 2077677096 AHLOKNSOOPDLLR-RVVRHLEGSA-N 463.400 4.888 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@@H](Br)C2(CC2)C1 2093179888 COCAFKUGSFGTOD-GFCCVEGCSA-N 451.984 4.601 50 10 JJGE O=C(c1csc(Br)c1Br)N1CCC2(CC1)C[C@H]2CBr 2093942667 XUEVDQYIWPXVLZ-QMMMGPOBSA-N 472.040 4.910 50 10 JJGE C[C@H](NC(=O)c1cc(Br)cc(Br)c1)[C@@H]1CCC[C@@H]1Br 2111559069 VIFITJDTVHAXSZ-HJIKLVIJSA-N 454.000 4.894 50 10 JJGE C[C@H](Br)CCCc1cn(-c2cc(Br)cc(Br)c2)nn1 2132757681 HDTAYJUFJLMYCE-VIFPVBQESA-N 451.988 4.898 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@@H](Br)C2(CCCC2)C1 2174368460 LJOPONHUYYCTQW-CYBMUJFWSA-N 466.011 4.991 50 10 JJGE BrC[C@H]1C[C@H]2[C@@H](C1)OCCN2Cc1ccc(Br)cc1Br 2199761198 BGMRLRKVIMWGPW-NZVBXONLSA-N 468.027 4.586 50 10 JJGE O=C(NC[C@]12CCC[C@@]1(CBr)C2)c1cccc(Br)c1Br 2208032148 GMUDYCODWZXHLB-LSDHHAIUSA-N 466.011 4.897 50 10 JJGE CCN(c1ncc(C(F)(F)F)cc1I)[C@@H]1CCC[C@H]1Br 2232617773 KOCZTSJMBPLRRL-MWLCHTKSSA-N 463.079 4.847 50 10 JJGE C[C@]1(CBr)C=CCCN1C(=O)c1csc(Br)c1Br 2253434237 VKCSCSWTJVTBKC-GFCCVEGCSA-N 458.013 4.829 50 10 JJGE CC(C)[C@@H](Br)CN(C)C(=O)Cc1cc(Br)cc(Br)c1 2277926848 NHZJQUUJAWKQLY-ZDUSSCGKSA-N 456.016 4.632 50 10 JJGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Cl)cc2Cl)cc1 2295523556 MYAVIQUVPPEXPO-UHFFFAOYSA-N 481.383 4.981 50 10 JJGE C[C@@]1(CBr)CCN(Cc2ccc(I)c(Br)c2)C1 2306219177 JFRABCOMNSTOEV-ZDUSSCGKSA-N 472.990 4.661 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)c(OC)c1OC 2331412566 KEMMEUZYQKQXLP-KRWDZBQOSA-N 491.569 4.677 50 10 JJGE C[C@@H]1CC[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)[C@H](OCc2ccccc2)C1 2349646034 LMVMAXMUXKMOMQ-DRMXPCRNSA-N 498.711 4.711 50 10 JJGE Cn1nc(Br)c(Br)c1[C@H](Br)c1ccc([C@@H]2CCOC2)s1 2364239250 ZQBNDCXMXLKCLY-GMSGAONNSA-N 485.039 4.995 50 10 JJGE O=C(N[C@H]1C[C@H](CBr)C12CCC2)c1cc(Br)ccc1Br 2379721524 SJVPIKAUQUHGJF-RNCFNFMXSA-N 466.011 4.895 50 10 JJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(Cl)c2)c2cccc3cccnc23)cc1 8666425 MCZIUYZVJFBHFL-UHFFFAOYSA-N 492.988 4.542 50 10 JJGE aggregator COc1cc(Br)cc(/C=N/NC(=O)c2ccccc2OCc2ccccc2)c1O 13920919 CJFGFCNLLIITHI-ZMOGYAJESA-N 455.308 4.506 50 10 JJGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 14667049 CNCAEHZIOCUEEP-INIZCTEOSA-N 485.378 4.866 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1 38650373 JACPKQPFLQEZQV-AREMUKBSSA-N 456.498 4.515 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCCOc1ccc(C)cc1 40870108 LDUCYGNHXFTFPS-JJIBRWJFSA-N 484.552 4.992 50 10 JJGE CCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1OC 40950825 KCLCBOJRCLVREI-ZMOGYAJESA-N 463.372 4.683 50 10 JJGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C/c1cccc(Cl)c1Cl 58989679 HQYFUZLKNKVUGZ-AFUMVMLFSA-N 474.417 4.799 50 10 JJGE CCOc1cc(/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCC(C)C 214404057 LGIPTVVLXLWKBM-IWIPYMOSSA-N 488.584 4.964 50 10 JJGE CC(=NNC(=O)c1ccccc1O)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 252605293 GHNMXJJZIPUPSP-UHFFFAOYSA-N 465.575 4.645 50 10 JJGE C[C@H]1[C@H](Br)CCCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 384436922 FBONNWSTMZWXRJ-IONNQARKSA-N 466.022 4.692 50 10 JJGE CC(C)CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1 914467593 BVFVBPANKIKSHY-LTGZKZEYSA-N 466.545 4.994 50 10 JJGE COc1ccc(/C=C(/C#N)C(=O)Nc2c(C)nn(Cc3ccccc3)c2C)cc1Br 1083992573 HUERCNWLCCQGJA-ODLFYWEKSA-N 465.351 4.865 50 10 JJGE C#CC1(O)CN(C(=O)c2cccc(O[Si](C(C)C)(C(C)C)C(C)C)c2OC(F)(F)F)C1 1636818884 OCTDHJCUYXRKDD-UHFFFAOYSA-N 457.565 4.960 50 10 JJGE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 1641074411 JFFGODUJNYFLDR-HNNXBMFYSA-N 458.436 4.652 50 10 JJGE CCc1ccc(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858685182 HVFQIWYHIFKABN-HNNXBMFYSA-N 450.451 4.569 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1cccc(Br)c1 1865684217 NPSXLBGQSIROSC-HXUWFJFHSA-N 470.330 4.915 50 10 JJGE O=C(NCC[C@H]1CCC[C@@H]1Cl)c1ccc(I)c(Br)c1 1913729594 SLVNRYLELYRAOE-SKDRFNHKSA-N 456.549 4.581 50 10 JJGE BrCC[C@@H]1CSCCN1Cc1c(Br)cccc1Br 2033084578 RAMHMCBCVKAOLC-SNVBAGLBSA-N 458.057 4.914 50 10 JJGE CC[C@]1(NC(=O)[C@H](Br)C2CCCC2)CCCN(C(=O)OCc2ccccc2)C1 2048155267 SAQCTYOBICEEGU-KNQAVFIVSA-N 451.405 4.638 50 10 JJGE COc1ccc(Cn2nc(CBr)c(Br)c2C(F)(F)F)c(OC)c1 2079234021 LLRKKGASFSXLOR-UHFFFAOYSA-N 458.072 4.625 50 10 JJGE CS(=O)(=O)c1csc([C@@H](Cl)c2cc(I)ccc2Br)c1 2093077385 RIXCFZIIQJFWLN-LBPRGKRZSA-N 491.597 4.847 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(F)(F)F)CCN1C[C@@H](CBr)C1CCC1 2163834893 HPFMVWZMQUIRNK-OAGGEKHMSA-N 457.375 4.965 50 10 JJGE CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2179861089 BTIXTYLDQHARSU-QGZVFWFLSA-N 492.266 4.783 50 10 JJGE CC[C@@H]1CN(c2ncc(C(F)(F)F)cc2I)C[C@H]1CBr 2205684410 RNYNYXZXGZMAPM-RKDXNWHRSA-N 463.079 4.562 50 10 JJGE Cn1nc(Br)c([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)n1 2272846300 RCMCKSZDDACRPN-SSDOTTSWSA-N 480.332 4.709 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@H]1CCC[C@H](Br)C1 2295315668 OPHKUWDAELEWMM-JQWIXIFHSA-N 468.027 4.824 50 10 JJGE CC(C)(CI)CN1CCCCC12CCN(C(=O)OC(C)(C)C)CC2 2306809074 GIMJJBFMNRMZAH-UHFFFAOYSA-N 450.405 4.703 50 10 JJGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 2313545930 OYZPECLZBFKKPH-UHFFFAOYSA-N 463.877 4.690 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCC)c(OC)c2)c(OC)c1 2314777579 KXPZKUKUWBGPQZ-UHFFFAOYSA-N 478.545 4.545 50 10 JJGE N#CC(=CNc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CCN(c2ccc(F)cc2)CC1 2325279441 WUTLECFJOAXPAL-UHFFFAOYSA-N 452.839 4.666 50 10 JJGE COc1cccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c1 2331248902 BNHTZCHVNPPXBX-UHFFFAOYSA-N 490.497 4.596 50 10 JJGE O=C(NC[C@@H]1CCC[C@H](CBr)C1)c1ccc(Cl)cc1I 2365598773 RTYHVEXYADDYIC-WDEREUQCSA-N 470.576 4.876 50 10 JJGE Cc1cc(C)nc(SCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Oc2ccc(F)cc2)n1 2650375 GQJLSCQNOMBCRM-MZJWZYIUSA-N 490.564 4.761 50 10 JJGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(\C#N)C(=O)NCc2ccccc2)cc1 16739752 RHWCXSZLXFENSY-GUNDDFSMSA-N 453.567 4.738 50 10 JJGE Cc1ccc(C(=O)NNc2ncnc(NN(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1 40646399 FHUGTOPAXSTWDT-UHFFFAOYSA-N 455.478 4.615 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1C(C)C 40879901 GPLRCEMCDMYYOU-DEDYPNTBSA-N 474.513 4.619 50 10 JJGE COc1cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 59166282 DTJVWEXMENKTPQ-FLOSOGMCSA-N 478.570 4.744 50 10 JJGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCC[C@H](CBr)C1 147531980 JTGWTQYOHXNDNQ-MRVPVSSYSA-N 466.022 4.552 50 10 JJGE CCOc1c(Cl)cc(/C=N\NC(=O)c2cccn(Cc3ccc(C)cc3)c2=O)cc1Cl 169920023 UBMTWWOQLZDWDU-ZMFRSBBQSA-N 458.345 4.674 50 10 JJGE CC(C)(C)C(=O)[C@@H](Br)Cc1ccc(I)c(Br)c1 304196256 KOJQEHJJZUJILU-JTQLQIEISA-N 473.974 4.975 50 10 JJGE O=C1Cc2cc([C@H](Cl)c3cccc(I)c3)c(Br)cc2N1 380232889 LWQUMYUICGLBGL-OAHLLOKOSA-N 462.512 4.877 50 10 JJGE COc1ccc(C=NNC(=O)CCCSc2nc3ccccc3s2)cc1OCn1cccn1 1084267689 BTWAWVRLDGUITA-UHFFFAOYSA-N 481.603 4.561 50 10 JJGE CC(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2C1=O 1873940837 JWCHBABIRFOXMP-ZZEZOPTASA-N 460.471 4.673 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@@H](CBr)C2(CCC2)C1 1914493886 SJFMVVFVAFRLGB-SNVBAGLBSA-N 466.011 4.849 50 10 JJGE O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N(CCBr)Cc1ccccc1 2034981061 WPIYAKKEDGAUBK-UHFFFAOYSA-N 456.711 4.945 50 10 JJGE CC[C@@H]1CN(C(=O)c2csc(Br)c2Br)C[C@@H]1CBr 2084901301 VAXFHOOVYRHSLB-SFYZADRCSA-N 460.029 4.766 50 10 JJGE BrC[C@H]1CCC2(CCC2)N1c1ncc(I)cc1Br 2084970217 JLHBQSTXQWNZTB-SNVBAGLBSA-N 485.989 4.735 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CCCC[C@H](CBr)C1 2092335162 ZLMKCIWNHHBKFY-SNVBAGLBSA-N 454.000 4.849 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@](=O)(=NC[C@@H](CBr)C(C)(C)C)C2 2106787729 KAVGDOAIIRFMRT-XYHRYAGJSA-N 451.471 4.685 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1csc(Br)c1Br 2139716054 XSUSILFAFVYTTI-AKEJEFCPSA-N 472.040 4.955 50 10 JJGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cnn(C)c1Br 2141618136 XFIUUBFSODEDOS-LLVKDONJSA-N 452.972 4.746 50 10 JJGE O=C(N[C@@H](CBr)[C@@H]1CC=CCC1)c1cc(Cl)ccc1I 2196151144 NRNHNGLVCHZQAQ-YGRLFVJLSA-N 468.560 4.794 50 10 JJGE CC1(C)CCCN(C(=O)c2ccc(Br)cc2I)[C@@H]1CCl 2207260489 GHADOHFEXZOUPI-CYBMUJFWSA-N 470.576 4.923 50 10 JJGE CC1CC(CBr)(CN=[S@]2(=O)CC[C@@H](CNC(=O)OC(C)(C)C)C2(C)C)C1 2265309485 HFIKHTNJLUPHIF-KBPHABNJSA-N 451.471 4.589 50 10 JJGE C[C@H]1C[C@@H](CBr)CCN1C(=O)c1ccc(Cl)c(I)c1 2268349000 FHWYQXBTIXFGLJ-UWVGGRQHSA-N 456.549 4.580 50 10 JJGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1cc(Cl)ccc1I 2303698933 DAZHFRPZFZRIPG-HNNXBMFYSA-N 478.157 4.889 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1[C@H]2CC[C@@H]1[C@H](CBr)C2 2329071787 SGOYMJATUXQIRW-GMOODISLSA-N 451.984 4.600 50 10 JJGE O=C(N[C@H](CBr)c1ccsc1)c1ccc(Cl)cc1I 2340054562 NYFWUAOLQDLCIZ-GFCCVEGCSA-N 470.557 4.872 50 10 JJGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1 13982106 YCCAPYZVZCHNCK-UHFFFAOYSA-N 495.604 4.586 50 10 JJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)ccc2C(C)C)cc1 14029155 VRLBGEXNHTWWLS-UHFFFAOYSA-N 485.650 4.792 50 10 JJGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1 14029700 ZPKDCAVPJZNWKW-UHFFFAOYSA-N 491.613 4.637 50 10 JJGE C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 20311468 XDVXDVWFOBCAAQ-UMYHVIPVSA-N 458.268 4.535 50 10 JJGE C=CCOc1ccccc1/C=N/NC(=O)COc1c(C)cc(Br)cc1Br 100437322 IBYAVCHSEQVVIW-SSDVNMTOSA-N 482.172 4.614 50 10 JJGE Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101615005 QKEUOYHURRLNJF-PNQUVVCRSA-N 497.342 4.969 50 10 JJGE CN1Cc2cc([C@H](Br)c3ccccc3I)ccc2NC1=O 123305112 JPPZLTSWQPRKHA-HNNXBMFYSA-N 457.109 4.753 50 10 JJGE COc1ccc(-c2cc(C(=O)NN=C(C)c3ccc4c(c3)OCO4)c3ccccc3n2)c(OC)c1 252598220 CYINXPUZWKJEPI-UHFFFAOYSA-N 469.497 4.802 50 10 JJGE CCN(C[C@](C)(CI)OC[C@@H]1C[C@@H]2CCCC[C@H]2O1)C(=O)OC(C)(C)C 379016897 AIAMXXZVSOQPDB-LJCCNALRSA-N 481.415 4.801 50 10 JJGE O=C(CBr)c1c(C(F)(F)F)cc(I)cc1C(F)(F)F 575340579 OTBVBMLSGLNPFC-UHFFFAOYSA-N 460.937 4.906 50 10 JJGE CC(C)(C)N(CCCCl)C(=O)c1cc(Br)ccc1I 690984519 RQQZPQJNANCJJI-UHFFFAOYSA-N 458.565 4.923 50 10 JJGE O=C(NC[C@H]1CCCC[C@H]1Br)c1scc(Br)c1Br 705408472 IFQWNLFSEHUBRU-HTQZYQBOSA-N 460.029 4.957 50 10 JJGE COc1cc(C=NNC(=O)COc2ccccc2)ccc1OCc1ccc(Br)cc1 1083845906 GEGXXZYIGOBHOM-UHFFFAOYSA-N 469.335 4.566 50 10 JJGE CC(=NNC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccco1 1084117467 OCGQYCFFBJSKFF-UHFFFAOYSA-N 466.129 4.877 50 10 JJGE CC(=O)CC1(C(=O)NNC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)CCC1 1540440025 QZEDXFMOENPZKN-UHFFFAOYSA-N 456.542 4.843 50 10 JJGE COc1ccc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1[N+](=O)[O-] 1772755775 RPXDPSSNAZURAL-UHFFFAOYSA-N 492.370 4.973 50 10 JJGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865697074 WHTNAORYGMPPSW-IBGZPJMESA-N 489.732 4.719 50 10 JJGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc1OC 1865697641 YNPFYRLBZJKXOJ-XMMPIXPASA-N 462.525 4.785 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccccc1O)C(C#N)=C(N)O2 1865707650 CERAQWGSQOYRDK-IBGZPJMESA-N 451.324 4.511 50 10 JJGE CCCC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867032137 VSLQIBPTAFGGNY-FCHUYYIVSA-N 477.590 4.787 50 10 JJGE C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1NCCSSCCNC(=O)OC(C)(C)C 1985347253 PNLGVRIOYJEYKI-OALUTQOASA-N 453.718 4.639 50 10 JJGE Cc1nn(C)c(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)c1Br 2017376621 NVZIQLXQYAMMTG-OAHLLOKOSA-N 457.210 4.553 50 10 JJGE O=C(c1scc(Br)c1Br)N1CC[C@H](Br)C2(CC2)C1 2032265055 WHCHNJPSRMZDTR-QMMMGPOBSA-N 458.013 4.663 50 10 JJGE CC[C@@]1(NC(=O)[C@@H](Br)C2CCCC2)CCCN(C(=O)OCc2ccccc2)C1 2048155274 SAQCTYOBICEEGU-SIKLNZKXSA-N 451.405 4.638 50 10 JJGE O=S(=O)(c1cc(CCl)ccc1Br)N1CCC[C@H](OCc2ccccc2)C1 2129815227 WKCGEWVYGURERZ-KRWDZBQOSA-N 458.805 4.558 50 10 JJGE CCCN1CCC[C@@H]([C@H](Cl)c2cc(Br)sc2Br)S1(=O)=O 2145775579 HGDBFEKCVHHWQQ-GXSJLCMTSA-N 465.660 4.757 50 10 JJGE N#CC12COC(COc3c(Br)cc(Br)cc3CBr)(C1)C2 2159451020 GMDFMYUULFLHAO-UHFFFAOYSA-N 465.967 4.558 50 10 JJGE FC1(F)CC[C@@H]2[C@H]([C@@H](Br)c3cc(I)cc4c3OCC4)[C@H]21 2170831808 RPKAHJVBVZZZQY-IXOXFDKPSA-N 455.080 4.953 50 10 JJGE Cc1cccc(C(=O)N(C)[C@H]2CCCCC[C@@H]2Br)c1I 2172548836 WWVVYEPNNUUICR-KBPBESRZSA-N 450.158 4.768 50 10 JJGE CCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(C)c(CBr)s1 2179824577 WVVFNQQHKJAPBE-UHFFFAOYSA-N 471.486 4.627 50 10 JJGE CC(C)(C)OC(=O)N1CCN(C[C@@H](CBr)c2ccccc2)C[C@@H]1C(F)(F)F 2186713933 ARUMJSHMVQNSKO-HZPDHXFCSA-N 451.327 4.649 50 10 JJGE CN([C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21)S(=O)(=O)c1cc(CBr)cs1 2190545894 CSQJIJGRVDHBCR-WJFTUGDTSA-N 470.454 4.647 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1cc(Br)ccc1Br 2204563849 OREUQGRGNRGTNF-LMVZTGKYSA-N 466.011 4.894 50 10 JJGE O=C(NC[C@@H]1CCCC[C@H](Cl)C1)c1ccc(Br)cc1I 2207269608 UOJRXCUPXYDZOH-PWSUYJOCSA-N 470.576 4.971 50 10 JJGE COc1cc(Br)c([C@@H](Br)c2cn(C)c(Br)n2)cc1C 2227730883 MECIGWNSYICSJX-GFCCVEGCSA-N 452.972 4.746 50 10 JJGE COc1ccc([C@H](Cl)c2cc(I)sn2)cc1I 2248887671 STFFVFSFIKOZSB-NSHDSACASA-N 491.519 4.689 50 10 JJGE C[C@H](Br)[C@@H]1CCCN1C(=O)Cc1cc(Br)cc(Br)c1 2277916455 GMUHPCZYBSZIMZ-ZANVPECISA-N 454.000 4.529 50 10 JJGE O=C(C=Cc1cccc2ccccc12)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 2313743404 AZBPVXDTJQWOIQ-UHFFFAOYSA-N 481.577 4.768 50 10 JJGE BrCc1cccc(OCc2cc(I)ccc2Br)n1 2319166453 DSUSQCRSRKLIKI-UHFFFAOYSA-N 482.941 4.923 50 10 JJGE CCCCCOc1ccc(C=NNC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc1 2323653164 NFCJWACFPWBANS-UHFFFAOYSA-N 451.954 4.883 50 10 JJGE C=CC[C@H](Br)[C@H]1CCN1C(=O)c1ccc(Br)cc1Br 2335810306 LYDWRCOWQQMKJZ-WCQYABFASA-N 451.984 4.766 50 10 JJGE FC(F)(CBr)[C@H]1CCN(Cc2cc(I)ccc2Cl)C1 2352413706 KZCBVQONKZRZSB-JTQLQIEISA-N 464.519 4.797 50 10 JJGE Cc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)cc1 3038364 YZPZGGVYNATQEY-ZEKMXHKSSA-N 485.024 4.638 50 10 JJGE O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(Oc2nc(Cl)ncc2F)cc1 34254510 OEFKPQCORHJQMT-PGGKNCGUSA-N 473.942 4.914 50 10 JJGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 40815898 OXOVEBUAXLXYFT-TWKHWXDSSA-N 452.514 4.788 50 10 JJGE CCCCCN1C(=O)/C(=N\NC(=O)COc2cc(C)cc(C)c2)c2cc(Br)ccc21 40846258 CKPOGVNIJLBANS-ROMGYVFFSA-N 472.383 4.502 50 10 JJGE C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCCCC)cc2)c(OC)c1 103746684 GJGHGRXJKVYSSN-IGUHNSGRSA-N 460.530 4.702 50 10 JJGE Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C1(c2cccc(C(F)(F)F)c2)CCOCC1 108790449 GVGWKJBYBMOERG-UHFFFAOYSA-N 489.519 4.647 50 10 JJGE CCN(CCCBr)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 165684718 MXTNMWSFURQSPB-UHFFFAOYSA-N 454.011 4.552 50 10 JJGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(=C\c2ccccc2)c2ccccc2)cc1 207112487 OYNDVZJEIXRWLD-QRMVBVICSA-N 452.510 4.502 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CCC[C@@H](CCBr)C1 236065136 JMANQRTZLBMXOK-JTQLQIEISA-N 456.549 4.582 50 10 JJGE FC(F)(F)CCC[SiH]1O[SiH](CCCC(F)(F)F)O[SiH](CCCC(F)(F)F)O1 306146554 JWUUNZINXZMFCZ-UHFFFAOYSA-N 468.537 4.739 50 10 JJGE CN(C[C@@H]1CCC[C@@H]1Cl)C(=O)c1cc(Br)ccc1I 689329837 FXUHKFMZGSMFFV-CABZTGNLSA-N 456.549 4.533 50 10 JJGE Oc1nc2cc([C@@H](Br)c3ncsc3Br)c(Br)cc2[nH]1 705140703 UVDHOJFBOPVXEY-MRVPVSSYSA-N 467.968 4.734 50 10 JJGE O=C(NN=Cc1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1083870327 NUZVYIHJLYBKOW-UHFFFAOYSA-N 457.273 4.918 50 10 JJGE Cc1ccc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)o1 1083916880 VYJSTPLUOIGWGF-UHFFFAOYSA-N 466.129 4.795 50 10 JJGE COCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N(C1CCCCC1)C1CCCCC1 1083951460 APSHPOOLTFLRRM-UHFFFAOYSA-N 451.615 4.749 50 10 JJGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772744582 XFBCWPLVMIDGPI-UHFFFAOYSA-N 466.881 4.872 50 10 JJGE COc1ccc(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1Cl 1858687968 SIAVBZKXYFUUSU-ZDUSSCGKSA-N 486.868 4.669 50 10 JJGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1 1865690500 SWLUIWCRBPXJKQ-GOSISDBHSA-N 455.440 4.683 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)c1 1865711728 GVOLNZQZVCJFLM-IBGZPJMESA-N 454.452 4.794 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1ccc([N+](=O)[O-])cc1 1865712681 FIYVLFLBZAKLMR-QFIPXVFZSA-N 467.460 4.864 50 10 JJGE COc1ccc(-c2ccc(C(=O)NNC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c(C)n2)cc1 1865757298 WFUOPEIXQIHJPU-CQSZACIVSA-N 474.344 4.601 50 10 JJGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1c(O)ccc2cc(Br)ccc12 1873795035 OMKIOIUWKVRKSL-AMAFCZHPSA-N 478.387 4.697 50 10 JJGE CC(C)[C@H](CBr)NCc1ccc(I)c(Br)c1 1904340328 XXSKWCSEQOSCCW-LBPRGKRZSA-N 460.979 4.563 50 10 JJGE C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1985350320 OMJQIJKVPKKRNL-MRXNPFEDSA-N 463.710 4.518 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]2CCCC[C@@H]12 2010825136 GLOSIKBECNTHOX-RCCFBDPRSA-N 475.721 4.660 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC12CCC2 2061267770 ISYSAKYWPNHJQJ-MSOLQXFVSA-N 489.748 4.956 50 10 JJGE CC1(C)CN(Cc2c(Br)cccc2Br)C[C@H](CBr)O1 2094101020 YQMAGKBQIFQMIX-JTQLQIEISA-N 456.016 4.586 50 10 JJGE CC(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1ccc(Br)cc1Br 2126101675 RGFKSNYKIWEFQV-WCQYABFASA-N 454.000 4.846 50 10 JJGE C[C@@]1(CCBr)CCN(C(=O)c2cc(Br)cc(Br)c2)C1 2131898070 BKSSYYMWQPTGRN-CQSZACIVSA-N 454.000 4.849 50 10 JJGE O=C(NCC[C@@H]1CCCC[C@H]1Cl)c1ccc(I)c(Br)c1 2179629164 JUUAASWIJFQIAW-GXFFZTMASA-N 470.576 4.971 50 10 JJGE Oc1nc2ccc([C@@H](Cl)c3ccc(Br)cc3I)cc2[nH]1 2207274197 ZQUSMHSECVKKPS-CYBMUJFWSA-N 463.500 4.964 50 10 JJGE Cc1sc(C(=O)N(C)C[C@H](Br)COCc2ccccc2)cc1Br 2210614840 VHYDOCRQWXYTBS-AWEZNQCLSA-N 461.219 4.871 50 10 JJGE Cc1cc(Br)c([C@@H](Cl)c2cnn(C)c2I)c(C)c1F 2264490078 TYEQEWNXBBYHKX-NSHDSACASA-N 457.512 4.871 50 10 JJGE CN(C(=O)c1ccc(Cl)c(I)c1)[C@H](CBr)CC1CC1 2268341960 FRHMRROHMFJURN-NSHDSACASA-N 456.549 4.580 50 10 JJGE CN(C(=O)Cc1cc(Br)cc(Br)c1)[C@H]1CCCC[C@@H]1Br 2295307960 RAQQERUBLDIMAN-KBPBESRZSA-N 468.027 4.919 50 10 JJGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCOC)cc1F 2295838622 VDUMIDDWBWNYBV-UHFFFAOYSA-N 476.552 4.917 50 10 JJGE N#CC(=Cc1cn(Cc2ccc(F)cc2)c2ccc(Br)cc12)C(=O)NC[C@@H]1CCCO1 2313624052 KMTYEOBWUPTVCV-NRFANRHFSA-N 482.353 4.793 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccccc2OCCC)c(OC)c1 2314789567 HCMOSDDYJDOGRM-UHFFFAOYSA-N 462.546 4.926 50 10 JJGE CCN(C[C@](C)(CI)OCc1ccc(COC)s1)C(=O)OC(C)(C)C 2319547614 DEPIUTLMAPTUNY-SFHVURJKSA-N 483.412 4.862 50 10 JJGE N#CC(=CNCCc1c[nH]c2ccccc12)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324608295 JNDMSELANPRREH-UHFFFAOYSA-N 489.623 4.641 50 10 JJGE CCc1ccc([C@@H](C)NC=C(C#N)C(=O)Nc2ccc(I)cc2C)cc1 2325405982 DCFWSEWCJQWCOB-OAHLLOKOSA-N 459.331 4.859 50 10 JJGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c(C)c1 2331394489 MGYOHSVHFDUONG-UHFFFAOYSA-N 474.498 4.732 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@@H](Br)[C@H]2CC[C@H]21 2331940340 CQIDXUSLSWJZCJ-IRUJWGPZSA-N 451.984 4.600 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CCC2CC1(CBr)C2 2336552988 HEPCFSHQKHFZJC-UHFFFAOYSA-N 451.984 4.601 50 10 JJGE O=C(NC1(CBr)CCCCC1)c1ccc(Cl)cc1I 2340056399 XHBSPMUMKWQNRA-UHFFFAOYSA-N 456.549 4.772 50 10 JJGE O=C(COc1ccc2ccccc2c1Br)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 12575775 RIFOEGKPTPTLIM-LSHDLFTRSA-N 462.687 4.693 50 10 JJGE O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(OC(=O)Cc2ccccc2)cc1 20510139 OWHNWNBKONVRAA-VULFUBBASA-N 457.313 4.671 50 10 JJGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)c1nc2ccccc2n1C 33588008 QMZFSYXXKXFLKF-SDXDJHTJSA-N 463.497 4.755 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1ccccc1Br 38678547 TYTXAOKQRQKUIC-QHCPKHFHSA-N 495.304 4.791 50 10 JJGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3ccccc3Cl)c(Oc3ccccc3)nc12 39858509 WYFJYPRSCYYBRG-VKAVYKQESA-N 456.889 4.994 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccccc2C)c(OC)c1 40989766 YNILXIMNZCBQMX-LTGZKZEYSA-N 450.535 4.592 50 10 JJGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCCC)c(OC)c2)c(OC)c1 207106699 OVHJATYWWYZAMQ-YMPPCKDTSA-N 492.572 4.935 50 10 JJGE CCOc1cc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)cc(Cl)c1OCC(=O)OC 252621335 MVVLBGSPMSVXIQ-UHFFFAOYSA-N 480.904 4.954 50 10 JJGE Cc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(N(C)C)cc1 254289123 FFCUFYXBMKLGET-UHFFFAOYSA-N 466.585 4.546 50 10 JJGE CCCCOc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3cccc(C)c3)cc2)cc1 254496250 WJRNMCTYMTVXOO-UHFFFAOYSA-N 460.530 4.922 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=C/C=C\c3ccccc3OC)n2-c2ccccc2)cc1 254742186 LQUOIGSDNLFFIK-LOXSMSKDSA-N 499.596 4.859 50 10 JJGE CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1I 303741445 NGQMGHJQJKNJQJ-WRQOLXDDSA-N 451.389 4.887 50 10 JJGE C[C@H](CCl)[C@@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 721615841 DSFCTLOEWIHIBZ-YGRLFVJLSA-N 470.576 4.923 50 10 JJGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 746181404 ZPXXOTUOPGYCBG-CYBMUJFWSA-N 459.549 4.878 50 10 JJGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1 746185837 UFTDMVPHQXUKMZ-UHFFFAOYSA-N 474.513 4.943 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc3ccccc3c2)c(-c2ccccc2)n1 761381147 HBGIOKNFBWRMPJ-LFVJCYFKSA-N 460.493 4.950 50 10 JJGE COc1cc(C=NNC(=O)COc2cc(C)ccc2C(C)C)ccc1OCc1ccc(C(=O)O)cc1 1084168375 YHSDYIUJHOVZEB-UHFFFAOYSA-N 490.556 4.933 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1OCC 1865688961 GGKFFSPPHSUTQT-LJQANCHMSA-N 470.451 4.907 50 10 JJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706488 XTYAYQSPGAXIKX-HSZRJFAPSA-N 495.495 4.683 50 10 JJGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccc[nH]2)C(C#N)=C(N)O3)cc1 1865709827 HWDCIAOHKRCFJB-HXUWFJFHSA-N 488.345 4.857 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 1865710105 OJGNYBJVHGSFRU-LJQANCHMSA-N 480.322 4.714 50 10 JJGE CCOC(=O)c1cnn(-c2ccc(C)cc2)c1NC(=O)/C(C#N)=C/c1cccc(Br)c1 1866131936 UOJGZJXEWDXNRR-GZTJUZNOSA-N 479.334 4.666 50 10 JJGE CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2sc(/C(C)=C/C#N)c(C)c2C(=O)OC)CC1=O 1873428310 MJEULNYIGJBPIW-LSSBLYJVSA-N 479.602 4.886 50 10 JJGE O=C1c2ccccc2C(=O)N1CCCc1nccn1CC1(CBr)CCCCCC1 1913024995 HUJVCZROGOYLKC-UHFFFAOYSA-N 458.400 4.847 50 10 JJGE CC[C@@H](C)[C@@H](CI)NC(=O)c1cc(Br)sc1Br 2023038199 SRELNVDKYDKDHE-HTRCEHHLSA-N 495.018 4.853 50 10 JJGE CC[C@@H](C)[C@@H](CI)NCc1cc(Cl)ccc1I 2023042295 BEHJPBKORLDIEG-NOZJJQNGSA-N 477.555 4.884 50 10 JJGE CC(C)CN(CCBr)C(=O)c1cc(Br)ccc1I 2036718001 REBFKEBPNNEDAP-UHFFFAOYSA-N 488.989 4.547 50 10 JJGE C[C@@H]1C[C@H](CBr)CCN1C(=O)c1cc(Br)c(Br)s1 2052359727 MHMGJGGAOIGSRE-HTQZYQBOSA-N 460.029 4.909 50 10 JJGE COc1cc(Br)c(C)cc1[C@H](Br)c1cnn(C)c1I 2089733008 OXWCYAPNCCMODV-LBPRGKRZSA-N 499.972 4.589 50 10 JJGE CC[C@@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@H]1CBr 2140783775 GACDPPMPEWYCAG-NXEZZACHSA-N 454.000 4.705 50 10 JJGE CN(Cc1sccc1Br)S(=O)(=O)c1cc(CCl)sc1Br 2156991739 XMNBBZCVAVIMJP-UHFFFAOYSA-N 479.668 4.894 50 10 JJGE O=C(NCC[C@@H]1CCCC[C@@H]1Cl)c1cc(Br)ccc1I 2179635066 AXJSBGIRBNGZOV-GWCFXTLKSA-N 470.576 4.971 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@](C)(=O)=NC[C@H](CBr)c2ccccc2)C1 2192628661 ZBRBKYQCCQHBRR-FJVACKHRSA-N 459.450 4.566 50 10 JJGE CN(C(=O)c1ccc(Br)cc1I)[C@H](CCCl)C(F)(F)F 2207260953 SFMHNKYAISRAAW-SNVBAGLBSA-N 484.481 4.686 50 10 JJGE O=[N+]([O-])c1cc(Br)c(OCCCCI)c(Br)c1 2248218758 UVQVPLYTGNJXLB-UHFFFAOYSA-N 478.906 4.714 50 10 JJGE C[C@]1(CNC(=O)c2cc(Br)ccc2I)CCC[C@@H]1Cl 2271298033 CDHFPPLHAAFXNX-GXTWGEPZSA-N 456.549 4.581 50 10 JJGE CS(=O)(=O)[C@H]1C[C@H]([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)C1 2285275028 QJONZHPXJXITCP-OXOINMOOSA-N 452.542 4.640 50 10 JJGE CC1(C)[C@H]2CO[C@@]1(CO[C@H](CI)c1ccc(Br)cc1)C2 2289222642 OGERJKMGSXRZMY-XNRPHZJLSA-N 451.142 4.757 50 10 JJGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314445295 ONGSMVUWNHODGZ-ISARSNTHSA-N 486.225 4.755 50 10 JJGE COc1ccccc1C(C#N)=Cc1cccc(OC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 2320511465 XIGGNFLSJRLMIV-UHFFFAOYSA-N 488.565 4.763 50 10 JJGE COc1cccc(-c2ccc(C(=O)NN=Cc3cc(Cl)cc(Br)c3O)c(C)n2)c1 2321239446 HEPRNORRPNFTTG-UHFFFAOYSA-N 474.742 4.951 50 10 JJGE CC(C)Oc1ccc(C=NNC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc1Cl 2323653002 ZUEIYCNEDPPYMZ-UHFFFAOYSA-N 458.345 4.755 50 10 JJGE CC[C@@H](NC(=O)C(C#N)=CNC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCCC2 2325092945 NRZDGZWUBUJEEQ-MUUNZHRXSA-N 456.634 4.794 50 10 JJGE CC(C)Oc1ccc(C=C(C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)c2ccccc2)cc1 2328569341 XQMJWDJOEOPINT-DEOSSOPVSA-N 484.600 4.791 50 10 JJGE CC(C)[C@H]1C[C@H](Br)CN1C(=O)c1ccc(Cl)cc1I 2344773250 ZTQXCZONJMRESD-TVQRCGJNSA-N 456.549 4.579 50 10 JJGE CC(C)N(CCOCCCl)Cc1ccc(I)c(Br)c1 2349844083 BQPNAZRNITVILN-UHFFFAOYSA-N 460.581 4.520 50 10 JJGE Cl[C@@H]1CCC[C@H]2CN(Cc3ccc(I)c(Br)c3)C[C@H]12 2349855826 REIOTLLUVFSUTN-SGMGOOAPSA-N 454.577 4.893 50 10 JJGE FC(F)(CBr)[C@@H]1CCN(Cc2cc(I)ccc2Cl)C1 2352413707 KZCBVQONKZRZSB-SNVBAGLBSA-N 464.519 4.797 50 10 JJGE C[C@H]1Cc2cc([C@H](Br)c3c(Br)c(Br)nn3C)ccc2O1 2364064772 VRPHSUFGVFATTN-CPCISQLKSA-N 464.983 4.753 50 10 JJGE CN(CC[C@H](Br)c1cccs1)S(=O)(=O)c1cc(Br)cs1 2366231420 XTMBLQOZNLKETF-JTQLQIEISA-N 459.250 4.719 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C[C@@]3(CBr)CC3(F)F)CC2)C1 2379981975 RXXWSMSKZSZDRA-LPHOPBHVSA-N 451.396 4.766 50 10 JJGE CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Oc1ccccc1Br 20177050 BOCXAHHXVGHFQW-KIHMUJGBSA-N 470.161 4.528 50 10 JJGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)c1 38684616 CIXNJXDRECQIGN-DEOSSOPVSA-N 469.453 4.597 50 10 JJGE COc1ccc(C(=O)NNc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2[N+](=O)[O-])cc1 40658905 XTHLOBDBEVSEFR-UHFFFAOYSA-N 472.461 4.686 50 10 JJGE O=C(NNC(=O)c1ccccc1SC[C@@H]1CCCO1)c1ccc(-c2ccc(F)cc2)s1 105195675 XRFWITUWCDCHMV-KRWDZBQOSA-N 456.564 4.900 50 10 JJGE O=c1[nH]c2cc(Br)c([C@H](Br)c3cccc(Br)c3)cc2[nH]1 109884390 PIQGYJNMYYTRET-CYBMUJFWSA-N 460.951 4.866 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CCC[C@H](CCBr)C1 236065176 JMANQRTZLBMXOK-SNVBAGLBSA-N 456.549 4.582 50 10 JJGE C[C@@H](N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 244148755 UTQCVMLLJMWEHS-UWYCOITDSA-N 468.645 4.742 50 10 JJGE CCn1c(SCC(=O)NN=Cc2ccc(OC)cc2)nnc1-c1ccc(C(C)(C)C)cc1 254633495 ZNLUGTIYTQWHHE-UHFFFAOYSA-N 451.596 4.514 50 10 JJGE Br[C@@H](c1ccc2c(c1)OCCCO2)c1sccc1I 311479952 ATNRTXQTMBTRMG-ZDUSSCGKSA-N 451.123 4.998 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccc(Br)c(F)c2)C1 382711953 ZIRHDQYQKOLICR-RYUDHWBXSA-N 484.147 4.974 50 10 JJGE C[C@H]1C[C@@H](CBr)CN(C(=O)c2cc(Br)cc(Br)c2)C1 398811517 PNDCSYNRFJLAFC-UWVGGRQHSA-N 454.000 4.705 50 10 JJGE C[C@H](Cl)[C@@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 721508928 JFZHEBYEZBQFGE-ZANVPECISA-N 456.549 4.676 50 10 JJGE CC[C@@H](Br)[C@@H](CC)NC(=O)c1ccc(I)c(Br)c1 721606693 XAUYJJQIGFCFIM-BXKDBHETSA-N 488.989 4.736 50 10 JJGE CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1cn(C)nc1-c1ccc2c(c1)OCCCO2 767870072 ALXWRWDXWOYJGM-STZFKDTASA-N 456.546 4.919 50 10 JJGE COc1ccccc1NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C 786604831 BKGTXBRUXBJIEE-WRDGEJPTSA-N 461.493 4.719 50 10 JJGE CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cc(Br)cnc3O)c2C)cc1 920351192 ABQQGWOHIXWZJD-YVLHZVERSA-N 481.350 4.902 50 10 JJGE CC(C)(C)NN(C(=O)OC(C)(C)C)C(=O)c1cc(Cl)cc(S(=O)(=O)c2ccccc2)c1 1088694997 KDNALOUVSWSMTH-UHFFFAOYSA-N 466.987 4.853 50 10 JJGE C=CCn1cc2ccc(NC(=O)NNC(=O)c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)cc2n1 1311238228 XZMWPULMHUPVTH-QGZVFWFLSA-N 451.596 4.901 50 10 JJGE Cc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)cc1 1772746559 FYWMCUKARWLETO-UHFFFAOYSA-N 482.334 4.744 50 10 JJGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CC)cc1OC 1865690936 FKMGKOALGGSCTD-GOSISDBHSA-N 475.387 4.634 50 10 JJGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1ccc(Br)cc1 1865691406 QYKTYHIPSZYUPY-NRFANRHFSA-N 477.362 4.980 50 10 JJGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CCC)cc1OC 1865692330 LIDKGVCTJINTKT-SFHVURJKSA-N 475.387 4.634 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(F)cc1F 1865701985 JXMXWFVFKPPZQU-MRXNPFEDSA-N 450.342 4.586 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1OC 1865706864 HKQMSYRSSDJZHJ-DEOSSOPVSA-N 482.515 4.973 50 10 JJGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1C 1872758212 PSGJFIKVZRYSQN-RHNCAKJLSA-N 459.527 4.913 50 10 JJGE O=S1(=O)CC([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 1899885853 YRSUNHSTNICZDS-KRWDZBQOSA-N 460.187 4.509 50 10 JJGE O=C(N[C@H](CBr)c1cscn1)c1cc(Br)cc(Br)c1 2119039628 OXQDCURCZAQNRT-SNVBAGLBSA-N 468.996 4.534 50 10 JJGE O=C(N[C@@H]1CC[C@H]2C[C@]21CBr)c1cccc(Br)c1Br 2132100493 JUIWBEDADYXCOS-UPLXVJCVSA-N 451.984 4.505 50 10 JJGE Cn1nc([C@H](Cl)c2cc(I)cc3c2OCC3)c(Br)c1Cl 2167051387 UUVWMGFDKFCIFK-SNVBAGLBSA-N 487.950 4.704 50 10 JJGE CCO[C@@H]1CC[C@@H]([C@H](Br)c2cc(I)cc3c2OCC3)C1 2174889302 RQHPOJKTUNKNPO-YVLXSGLVSA-N 451.142 4.867 50 10 JJGE O=C(NC[C@@]1(CBr)C[C@@H]1C(F)(F)F)c1cc(Br)c(Br)s1 2192577241 CPUAZEYPDJZKJW-XVKPBYJWSA-N 499.972 4.966 50 10 JJGE Cc1sc(C[C@H](Br)CN2C(=O)c3ccccc3C2=O)c(C)c1Br 2209163133 LUQIWDFTOKZHBU-NSHDSACASA-N 457.187 4.730 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H]2CCC[C@H](C1)C2Br 2283656624 OBQRHLQWFYPVML-BVUQATHDSA-N 468.560 4.580 50 10 JJGE O=S1(=O)CCC[C@H]([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)C1 2288481605 XMPYRKFSDGTXSW-UPONEAKYSA-N 452.542 4.595 50 10 JJGE N#CC(C(N)=O)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1 2296835075 VAEKGTIIXLFZRV-INIZCTEOSA-N 452.750 4.558 50 10 JJGE CCN(CC)C(=O)COc1ccc(C=NNC(=O)c2ccc(-c3ccc(C)c(C)c3)nc2C)cc1 2321229925 CTKCWDUOAJKNMR-UHFFFAOYSA-N 472.589 4.685 50 10 JJGE Cc1c([N+](=O)[O-])cc(C(O)=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1[N+](=O)[O-] 2331281280 DDPMMKUKYKNJAA-UHFFFAOYSA-N 453.392 4.793 50 10 JJGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1C 2331402780 PSGJFIKVZRYSQN-HNNXBMFYSA-N 459.527 4.913 50 10 JJGE O=C(N[C@H]1CC[C@@H]2C[C@]12CBr)c1cccc(Br)c1Br 2331772237 JUIWBEDADYXCOS-FDLBOYPASA-N 451.984 4.505 50 10 JJGE COc1ccc([C@@H](Br)c2c(Br)nc(C)n2C)cc1Br 2337319320 LULWFOFIOWUOFU-LLVKDONJSA-N 452.972 4.746 50 10 JJGE O=C(NC[C@H]1CCCC[C@H]1Br)c1ccc(Cl)cc1I 2340054906 PQRVKCHYBPMIHJ-BXKDBHETSA-N 456.549 4.628 50 10 JJGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1 1888706 FNKMHJUSAUWBBM-GPSDDGMOSA-N 457.530 4.568 50 10 JJGE CCC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 8905718 GMCJCVQEGNQXQA-UHFFFAOYSA-N 499.405 4.895 50 10 JJGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2)cc1 38650398 KQDYCUOYARAJPJ-QUGAMOGWSA-N 470.525 4.849 50 10 JJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)c1 38659732 RZDRALVJHLZGCU-RUZDIDTESA-N 492.915 4.560 50 10 JJGE Cc1cccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)c1 59500455 DCWIGLNOQDNPDI-CFRMEGHHSA-N 482.290 4.649 50 10 JJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(Br)o2)sc2c1CC[C@H](C)C2 102956299 OQTXCCDZQXOSFT-AWPPVZKDSA-N 463.353 4.951 50 10 JJGE CCCCCCCCOc1ccc(/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 214430625 QBDABGVTSSAMQP-QJOMJCCJSA-N 496.604 4.980 50 10 JJGE CS(=O)(=O)Oc1ccc(C(=NNC(=O)Nc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 252635889 XBEPICQETBQSOM-UHFFFAOYSA-N 478.357 4.906 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cccc(F)c2F)C1 382706650 UCIZSSZVAYVODR-GDBMZVCRSA-N 457.258 4.752 50 10 JJGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@@H](C)C1Br 688074636 FOIAPQNFDYGOLC-RKDXNWHRSA-N 454.000 4.703 50 10 JJGE C[C@@H]1CCCN(C(=O)c2scc(Br)c2Br)[C@H]1CBr 688645941 BFEPOSYLUVUYSX-APPZFPTMSA-N 460.029 4.909 50 10 JJGE O=C(NC1(CCCl)CCSCC1)c1cc(Br)ccc1I 719664360 FTXPUBUZDCVWAT-UHFFFAOYSA-N 488.616 4.678 50 10 JJGE Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1 729344380 GDMBHZMANPAPFO-AREJXAQWSA-N 467.529 4.558 50 10 JJGE Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=NNC(=O)c2ccccc2Br)c1C 1084501308 ZQMDZMUTVKPBHP-UHFFFAOYSA-N 455.312 4.837 50 10 JJGE C=CCn1c(SCC(=O)NNc2ccc(C#N)c(Cl)c2)nnc1-c1ccc(Cl)cc1 1154120910 AIASAQCWNHCUEQ-UHFFFAOYSA-N 459.362 4.545 50 10 JJGE C=CC[C@H](CO)NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1C 1635396494 AWQZGURXZWTJGE-JDZKTDJGSA-N 451.876 4.727 50 10 JJGE COc1ccc(C(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)cc1[N+](=O)[O-] 1858906821 GSMNGOGJILMOMF-UHFFFAOYSA-N 478.486 4.717 50 10 JJGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707541 YYSGHVPNKKSTDJ-LJQANCHMSA-N 471.344 4.733 50 10 JJGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccc[nH]2)C(C#N)=C(N)O3)cc1 1865710245 RVXQDVNQARFNLH-QHCPKHFHSA-N 451.530 4.770 50 10 JJGE C[C@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)CC1=O 1872750659 JAHHYKFLDXUQLL-LMGHWXJXSA-N 473.554 4.984 50 10 JJGE CN(Cc1sccc1I)C[C@@H](Br)COCc1ccccc1 1888199328 YWRUETUIQHLNGX-CQSZACIVSA-N 480.209 4.765 50 10 JJGE Cc1cc(Br)c(C(=O)N[C@H](CCBr)COCc2ccccc2)s1 1902776759 KFHPBYIMQVHBPS-CQSZACIVSA-N 461.219 4.919 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 1985347360 QVUODZXEVGPFLD-HBMCJLEFSA-N 451.702 4.535 50 10 JJGE CC(C)[C@H](Br)CN(C)C(=O)c1ccc(I)c(Br)c1 2048723742 KKEKHCXTDJOKBG-LLVKDONJSA-N 488.989 4.545 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNCc1cc(Cl)cc(Br)c1O 2061262204 LCVZPXSFJYMNHL-UHFFFAOYSA-N 471.870 4.804 50 10 JJGE Cc1cc(Br)c(C)c([C@H](Br)[C@H](C)S(C)(=O)=O)c1Br 2081069689 CNSKNWGFTLMAFG-QPUJVOFHSA-N 463.029 4.698 50 10 JJGE CC(C)(C)[C@H](CBr)CNC(=O)c1cc(Br)cc(Br)c1 2090200100 XQGJGBJLFHYYOE-SNVBAGLBSA-N 456.016 4.999 50 10 JJGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@@H]2C[C@@H]2CO1 2122885472 ZCFTZRDKEWTDRD-XRNSZHNASA-N 454.984 4.910 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H](CBr)[C@@H](C(F)(F)F)C1 2163354541 ZJKBECMZNCNDAJ-WDSKDSINSA-N 499.972 4.919 50 10 JJGE CCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(CBr)sc1C 2179812036 OJDFONLUSHTNNR-UHFFFAOYSA-N 471.486 4.627 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1CN(Cc2ccc(CBr)cc2)C[C@@H]1C(F)(F)F 2182845305 OPYIRRFWRIBQEO-HOTGVXAUSA-N 451.327 4.717 50 10 JJGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@@H]1C[C@@H](CCl)C2 2207261994 ONPRXGRIWLIADT-WLLOZRIZSA-N 468.560 4.676 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H](Br)CC12CCCC2 2241029456 HGYXOYYZRMKAQW-LLVKDONJSA-N 468.560 4.867 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN=c1[nH]c2ccc(Br)cc2s1 2264324538 FWHWMORCILRURT-UHFFFAOYSA-N 464.476 4.799 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CCC([C@@H](F)CBr)CC1 2283653638 IUJRQSUKMNMIRL-LBPRGKRZSA-N 474.539 4.530 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCCCCC(F)(F)C(F)(F)F)C1 2315799082 JNWNFPSHOHMJMB-QWRGUYRKSA-N 487.247 4.794 50 10 JJGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1ccc(F)c(Cl)c1 2318462599 LSRFYPHQNRKISC-UHFFFAOYSA-N 455.658 4.850 50 10 JJGE CC(C)(C)OC(=O)NCCCCCC(=O)NN=Cc1c(O)ccc2cc(Br)ccc12 2328835298 JJSYDLSOWUSNII-UHFFFAOYSA-N 478.387 4.843 50 10 JJGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1ccc(Br)cc1Br 2330901132 KTLROQJDTLXZQA-HTLPYRINSA-N 451.984 4.503 50 10 JJGE COc1ccc(CC(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1OC 2331411888 NBDVATXRQLRZGG-UHFFFAOYSA-N 468.531 4.888 50 10 JJGE O=C(N[C@@H]1CCC[C@@H]1CCBr)c1ccc(Cl)cc1I 2340061495 OMXPMPRPZXPANJ-NOZJJQNGSA-N 456.549 4.628 50 10 JJGE CCN(C[C@](C)(CBr)OCc1cc(F)c(OC)c(F)c1)C(=O)OC(C)(C)C 2363445804 XPKGYVXWGONOHO-IBGZPJMESA-N 452.336 4.901 50 10 JJGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811683 JNILCIDRAKOTIH-NLRVBDNBSA-N 466.881 4.872 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(-c3cc(C(=O)OC)ccc3Cl)o2)cc1 58894652 JEEXBSRUZKTCIF-TVYAFPLLSA-N 484.936 4.749 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(-c3ccc(C(=O)OC)c(Cl)c3)o2)cc1 58894663 DZVJNWICPIBXMK-QYJQOTDOSA-N 484.936 4.749 50 10 JJGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)c1C 59147525 NFUWEEVHCLTSNU-JEWIKEISSA-N 477.565 4.858 50 10 JJGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(CC)cc1 101241506 LQOWNDAJTCSDHL-YWDBVWQESA-N 496.430 4.740 50 10 JJGE CCOc1ccc(-c2csc(/C(C#N)=C/Nc3cc(C(=O)OC)cc(C(=O)OC)c3)n2)cc1 103696280 NDJRRKOYECWTAO-QGOAFFKASA-N 463.515 4.759 50 10 JJGE CC(=NNC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1O 254623618 AHTMEYZBLXUCLF-UHFFFAOYSA-N 499.592 4.942 50 10 JJGE CC[C@@H]1[C@H](CBr)CCN1C(=O)c1scc(Br)c1Br 705423056 CWNAYXHGYQQONI-IONNQARKSA-N 460.029 4.909 50 10 JJGE C[C@@H](Br)[C@@H]1CCCN(C(=O)c2cc(Br)sc2Br)C1 708415472 OVBLQRJWZBFUIA-HTQZYQBOSA-N 460.029 4.909 50 10 JJGE C=CCN(c1ccc(C(=O)NN=Cc2c(O)ccc3ccccc23)cc1)S(=O)(=O)c1ccccc1 1084021443 QYCODFKZKDCOOB-UHFFFAOYSA-N 485.565 4.691 50 10 JJGE CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)NN=Cc1ccc(O)c(OC)c1 1084022098 JEJPPIQRBWXKQM-GOSISDBHSA-N 457.324 4.624 50 10 JJGE Cc1cccc(Cl)c1COc1ccc(C=NNC(=O)CSc2nc3ccccc3n2C)o1 1084351789 FTUBYTWDXFEDKQ-UHFFFAOYSA-N 468.966 4.950 50 10 JJGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680341 HULIGOBVSUQIBC-JOCHJYFZSA-N 486.915 4.831 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(N(C)C)cc1)C(C#N)=C(N)O2 1865683978 RYQUWDRMVBSPBZ-JOCHJYFZSA-N 465.960 4.961 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1OC 1865707396 WAYDOOAKZSODRA-KRWDZBQOSA-N 476.842 4.780 50 10 JJGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865708175 PUPQOLBGWKFTJQ-QFIPXVFZSA-N 464.953 4.773 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865713097 QRGSZMIQQHCVEQ-XMMPIXPASA-N 482.515 4.973 50 10 JJGE CC[C@](C)(NC(=O)[C@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866701299 JMFAPLJXPWLFHB-BVAGGSTKSA-N 458.587 4.905 50 10 JJGE CCCNCc1cc(Br)c(OC[C@H]2C[C@H]2Br)c(Br)c1 1887832904 LEFITFVEMGUZED-GHMZBOCLSA-N 456.016 4.873 50 10 JJGE C[C@]1(CI)CC[C@@H](c2ccc(Cl)cc2I)O1 1903698930 IVAOBGGLJCOXHC-NWDGAFQWSA-N 462.496 4.990 50 10 JJGE CC(C)[C@@H](Br)[C@H](C)NC(=O)c1cc(Br)ccc1I 2041306763 HGPYBCVPNVNTDC-QPUJVOFHSA-N 488.989 4.592 50 10 JJGE CSCC[C@H](Br)CCNC(=O)c1c(Br)cccc1Br 2094097588 DKJDCMJCZOWJDR-SECBINFHSA-N 474.056 4.848 50 10 JJGE O=C(c1sccc1I)N1CC2(CCC2)CC[C@@H]1CBr 2095701827 JKDPOTVXNAUULZ-SNVBAGLBSA-N 454.171 4.523 50 10 JJGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@@H]1C[C@@H](Br)C2 2098697786 DYHRBWFSUCGUCZ-RTCCRHLQSA-N 498.984 4.584 50 10 JJGE CC1(C)CC[C@@H](Cl)CN1C(=O)c1cc(Br)ccc1I 2099882818 REKJYQQBPCRCBQ-SNVBAGLBSA-N 456.549 4.676 50 10 JJGE O=C(N[C@H]1CC[C@@H](CCl)CC1)c1cc(Br)ccc1I 2118506868 JHDHDJPBGXXFCM-JGZJWPJOSA-N 456.549 4.581 50 10 JJGE CC1(C)CN(Cc2cc(Br)ccc2Br)C[C@H](CBr)O1 2118534553 KKMIFGBTEWDFQJ-LBPRGKRZSA-N 456.016 4.586 50 10 JJGE C[C@]1(CCCl)CCN(C(=O)c2ccc(Br)cc2I)C1 2142280030 XZKPBNMNDMOFHD-AWEZNQCLSA-N 456.549 4.535 50 10 JJGE O=C(c1ccc(Br)cc1I)N1C[C@H](Br)CC12CCC2 2142281303 OOMYHYUGUNZYIK-SNVBAGLBSA-N 498.984 4.586 50 10 JJGE CCn1cc(Br)c([C@H](Br)c2ccc3c(c2Br)CCO3)n1 2238072374 WLZGLWWMBMOKHP-CYBMUJFWSA-N 464.983 4.847 50 10 JJGE CC(C)(C)N(CCCBr)C(=O)c1ccc(Cl)c(I)c1 2268347234 SZPXQFPVQRZBBX-UHFFFAOYSA-N 458.565 4.970 50 10 JJGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCc2ccccc2)cc1 2296718458 HHLUNPAABMADKV-UHFFFAOYSA-N 464.525 4.581 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cc(Cl)ccc2Cl)c(OC)c1 2314785120 NKYMVPDXGRDCIQ-UHFFFAOYSA-N 477.344 4.810 50 10 JJGE BrC[C@H](Cc1ncc(I)cn1)c1ccc(Br)cc1 2328053154 KRGOVCPNLNSNEK-JTQLQIEISA-N 481.957 4.565 50 10 JJGE F[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(Cl)c(I)c1 2337217992 DBATYFKBUKQWMD-RDBQEKCUSA-N 458.540 4.783 50 10 JJGE CC1(C)C[C@H](CBr)N(C(=O)c2ccc(Cl)cc2I)C1 2340060602 DXPMBZGHJUPGJT-SNVBAGLBSA-N 456.549 4.580 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)ccc1OCc1ccc(F)cc1 33680255 IILZLEDTQFZSMY-YVLHZVERSA-N 463.421 4.573 50 10 JJGE CCCCOc1ccc(/C(CC)=N\NC(=O)[C@@]2(C)CC2(Br)Br)cc1 38751042 ZDNGYEJDQVMURK-VKZJTJHYSA-N 460.210 4.992 50 10 JJGE Cc1c(C(=O)NCCc2cccs2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812792 SYQXDJLDVMHFMS-NLRVBDNBSA-N 455.967 4.746 50 10 JJGE Cc1c(C(=O)NCCc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825832 QMQIAPPAXWIEJW-DFKUXCBWSA-N 466.541 4.579 50 10 JJGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NCc5ccccn5)c(C)c43)coc2c1 40826846 ZKOPJFGPCFYBAT-NJZRLIGZSA-N 484.556 4.675 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1 58893097 YQFKEJIUEHXGAF-LPGPRXSPSA-N 471.897 4.871 50 10 JJGE COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Br)cc1 59445157 ZYLCFSNGRRCPQZ-ZMOGYAJESA-N 484.306 4.709 50 10 JJGE C/C(=N\NC(=O)CCCNc1ccc(Br)cc1)c1ccc(Br)cc1 59507603 CARWZJJABMMHTI-LPYMAVHISA-N 453.178 4.944 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C(/C#N)C(=O)NCc2ccccc2)cc1 83319070 OGGHDYVJQIKAPW-MOSHPQCFSA-N 466.946 4.640 50 10 JJGE CCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)CCl)cc1OC 97914584 AXNMMSVHLHXNMO-DEOSSOPVSA-N 477.001 4.835 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1 101339773 LUWFXISAGONOMI-RGVLZGJSSA-N 456.429 4.607 50 10 JJGE CCCCCOc1ccc(/C=N\NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cc1 169920677 VOINKLVNGFSGAU-PKAZHMFMSA-N 451.954 4.883 50 10 JJGE CCOc1ccc(NC(=O)/C(C#N)=C\N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 217238951 JSYKPSZJBYTDSL-LVWGJNHUSA-N 466.585 4.838 50 10 JJGE Cc1cc(C)cc(OCc2ccc(C(=O)NN=Cc3cc4c(cc3Br)OCO4)o2)c1 254595034 ZAGIJJDACXIQAS-UHFFFAOYSA-N 471.307 4.731 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2ccc(Br)cn2)C1 382708087 VLFHMQUYZUAWOT-ZBFHGGJFSA-N 454.162 4.591 50 10 JJGE O=C(NC[C@H]1CCC[C@@H]1CBr)c1scc(Br)c1Br 705409663 NOTQRJNDFJIYOO-HTQZYQBOSA-N 460.029 4.814 50 10 JJGE O=C(N[C@@H](CBr)C1CCCC1)c1scc(Br)c1Br 705430233 ZWYRQORJQVYNPW-VIFPVBQESA-N 460.029 4.957 50 10 JJGE O=C(NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc(Br)cc1 1084387202 AOMLDLUCSWCKJC-UHFFFAOYSA-N 468.738 4.783 50 10 JJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c(Cl)cccc2Cl)c2ccccc2F)cc1 1084557317 BRWXIYLEBJJAGU-UHFFFAOYSA-N 494.375 4.787 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccc(Cl)cc2[N+](=O)[O-])C1 1614630621 SERHMXGJZHOSPF-GXFFZTMASA-N 466.703 4.634 50 10 JJGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccccn5)c(C)c43)coc2c1 1772751944 NGKGZVUJIIWUBY-UHFFFAOYSA-N 470.529 4.998 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)ccc1OC(=O)c1ccccc1 1865705334 SPGLGYRAZZHULW-HSZRJFAPSA-N 478.508 4.533 50 10 JJGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714301 GSXBLPMHBJRVDK-LJQANCHMSA-N 486.315 4.964 50 10 JJGE COc1ccc(OC)c(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)c1 1865758916 AKQHHOMFWXPJJU-VZUCSPMQSA-N 486.355 4.855 50 10 JJGE CSCC[C@H](NC(=O)Cc1ccc(C)c(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867232613 ZOBBPMNBTIGSLV-IBGZPJMESA-N 492.464 4.750 50 10 JJGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CNS(=O)(=O)c3ccc(C)cc3)n2)cc1C 1872758391 YEIURZKIRVYDCR-VZCXRCSSSA-N 469.588 4.515 50 10 JJGE Clc1ccc([C@@H]2CCC[C@H](CI)O2)c(I)c1 1903699689 OSJWCLMKVFBVAL-SKDRFNHKSA-N 462.496 4.990 50 10 JJGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1sccc1Br 1915068632 BLNTUFVJLPVJIP-CYBMUJFWSA-N 467.248 4.875 50 10 JJGE Cc1cc(Br)c(F)c(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)c1 1916390919 XATPFLWMCLTVMT-OAHLLOKOSA-N 473.180 4.949 50 10 JJGE C[C@H](CCBr)CCN1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1955955775 IWXWSJGALXUXLC-MRXNPFEDSA-N 464.445 4.502 50 10 JJGE C[C@H](NC(=O)c1csc(Br)c1Br)[C@@H]1CCC[C@@H]1Br 2048890630 GQSUOSONFPZNCV-ZKWXMUAHSA-N 460.029 4.955 50 10 JJGE C[C@H]1C[C@H](Br)[C@H](C)CN1C(=O)c1ccc(Br)cc1Br 2093110549 CRYCGCZYXUEYKG-PTRXPTGYSA-N 454.000 4.846 50 10 JJGE CN(C(=O)c1cc(Br)cc(Br)c1)C1CCC(Br)CC1 2103908964 IRFUKFPRJCBOHD-UHFFFAOYSA-N 454.000 4.990 50 10 JJGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CCCCS2(=O)=O)c1Br 2138853778 REZQMEGFBMOZGK-AAEUAGOBSA-N 475.040 4.923 50 10 JJGE CCC(CC)N(CCCl)C(=O)c1ccc(Br)cc1I 2142286336 ZHWAQQATLLPJOH-UHFFFAOYSA-N 458.565 4.923 50 10 JJGE COC[C@H](C)OC[C@H](Br)CCc1ccc(I)c(Cl)c1 2142935743 DCMZNOLCTDWZRH-CMPLNLGQSA-N 461.565 4.692 50 10 JJGE Cc1cc(C)c(S(=O)(=O)N(C)C2CC(OCc3ccccc3)C2)cc1CBr 2179860719 WMXQORHSEHAIRW-UHFFFAOYSA-N 452.414 4.567 50 10 JJGE CC(C)(C)OC(=O)NCC[C@@H](N(CCCCCI)C1CC1)C(F)(F)F 2220213769 ABZCLKKMCDAFTG-CQSZACIVSA-N 478.337 4.902 50 10 JJGE Cc1ccc(I)c(C(=O)N(C)C2(CBr)CC(C)(C)C2)c1 2240923876 JTYPKJFMDFDUNE-UHFFFAOYSA-N 450.158 4.625 50 10 JJGE C[C@@]1(CBr)C=CCCN1C(=O)c1c(Br)cccc1Br 2264384635 IZFAZXUUQXSVCT-AWEZNQCLSA-N 451.984 4.767 50 10 JJGE C[C@H]1[C@H](Br)CCCN1C(=O)Cc1cc(Br)cc(Br)c1 2277936035 KHYBDCUOUHJRLR-TVQRCGJNSA-N 454.000 4.529 50 10 JJGE CC(C)CN(C[C@@H](C)Br)S(=O)(=O)c1cc(Br)ccc1Br 2288023371 OEHRLSZINOLZTE-SNVBAGLBSA-N 492.071 4.642 50 10 JJGE CCOc1ccc(NC(=O)COc2ccc(C=C(C#N)c3nc(O)c4ccccc4n3)cc2)cc1 2314432531 BHTJAEUGFZFCIA-UHFFFAOYSA-N 466.497 4.816 50 10 JJGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593554 OYPMZJJSODBEEB-DEOSSOPVSA-N 471.582 4.893 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OC)c(Br)c2)cc1 2314777137 PRIXLOHFJSWLFA-UHFFFAOYSA-N 483.362 4.900 50 10 JJGE N#CC(=C(O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331232640 LEABCAPVMNMMLL-UHFFFAOYSA-N 460.471 4.587 50 10 JJGE N#CC(=C(O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)OCO3)cs1 2331334710 DIQBFKLIGBYOJC-UHFFFAOYSA-N 462.487 4.997 50 10 JJGE FC(F)(F)[C@H]1C[C@]1(CCl)CNCc1ccc(I)c(Br)c1 2377314473 GNHIXSPZXPKOSL-RYUDHWBXSA-N 482.509 4.951 50 10 JJGE COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(F)F)cc2)cc1 6250870 ZAXKGVCABQLROW-SAPNQHFASA-N 499.495 4.643 50 10 JJGE Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1 13148355 DFXVZDUSOQREBS-CVKSISIWSA-N 459.437 4.784 50 10 JJGE CC(C)CCOc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1 14644458 WUDVXIAPKXWAIB-CQSZACIVSA-N 483.790 4.756 50 10 JJGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)cc1OC 33377986 XNYNPKSURCXFJL-GDNBJRDFSA-N 462.287 4.553 50 10 JJGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2)c1 38650217 LLDJWFDYXVQZKS-RUZDIDTESA-N 456.498 4.921 50 10 JJGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(C)cccc3C)ccc21 38650502 CYMAULAJQSVEAZ-SANMLTNESA-N 470.525 4.905 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc(OC)c1OC 205651276 BAJCWVBGVYOJAL-NZKNRCLBSA-N 484.508 4.549 50 10 JJGE O=C(NCc1cccc(CBr)c1)c1ccc(I)c(Cl)c1 232349176 XWUNINTZBUXZRU-UHFFFAOYSA-N 464.528 4.770 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CCCCC[C@H]1CBr 232350407 QHBQQULEPULCDN-NSHDSACASA-N 456.549 4.724 50 10 JJGE Cc1cc(C(=O)NN=Cc2ccc([N+](=O)[O-])s2)nn1-c1c(Cl)cc(Cl)cc1Cl 254345620 IJIVNAMVOAMXON-UHFFFAOYSA-N 458.714 4.875 50 10 JJGE O=C(NC[C@H]1CCC[C@@H](CBr)C1)c1ccc(I)c(Cl)c1 380155649 YFVPJGTZOKTIDJ-MNOVXSKESA-N 470.576 4.876 50 10 JJGE C[C@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@H](C)C1Br 688134410 NVDFFPXKTOZQHI-BQBZGAKWSA-N 460.029 4.765 50 10 JJGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3cnn(C)c3Br)c2O1 720052407 NRSYROIATFYRNH-JVXZTZIISA-N 464.983 4.753 50 10 JJGE Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c(C)c1 761400119 GGCWZSPIVNKIEC-VQYZLWMVSA-N 481.556 4.866 50 10 JJGE COc1ccc2ccccc2c1CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 914470989 FSOAVJTYTANXBJ-CJLVFECKSA-N 461.525 4.849 50 10 JJGE O=C(NN=Cc1ccc(OCc2ccc(F)cc2)cc1)c1cccc(I)c1 1084563744 AMWUEIJSAMUEOS-UHFFFAOYSA-N 474.273 4.773 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)ccc1O 1865681145 GAGDQOQAYUYCIF-SFHVURJKSA-N 490.869 4.926 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)ccc1O 1865681169 GTJOFGUAJFBLTJ-VWLOTQADSA-N 494.551 4.929 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1 1865694706 ZRGZORROZYXRIH-GOSISDBHSA-N 458.415 4.706 50 10 JJGE C[C@@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)CC1=O 1872752912 YSXRJDODJQFSKW-GWSZXWTRSA-N 459.527 4.941 50 10 JJGE C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 1873794543 NUIHUZMAWOLCND-DSKMXOTJSA-N 466.365 4.936 50 10 JJGE O=C(N[C@H](CCBr)C(F)(F)F)c1ccc(Br)cc1Br 1918551049 IJRQTIQGVOGOAC-SECBINFHSA-N 467.905 4.657 50 10 JJGE Brc1ccc(CN2C[C@H](Br)C[C@@]3(CCCO3)C2)c(Br)c1 1924249286 CBELASQITGYZTG-HIFRSBDPSA-N 468.027 4.730 50 10 JJGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(CCl)c1)Cc1ccccc1 1946826141 FCTPXAAZRAGLMU-UHFFFAOYSA-N 461.002 4.887 50 10 JJGE O=S(=O)(C1CC(OCc2ccccc2)C1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1958928337 MWGGVLSYDBQJNO-VNXZQDSDSA-N 478.452 4.740 50 10 JJGE CC(C)[C@@H]1[C@H](NCCSSCCNC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 1987815244 PJWQCHYUYQHGQM-IAGOWNOFSA-N 463.710 4.516 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CCCC[C@H]1CCBr 2092340867 VKEWKTSQHFMPEV-JTQLQIEISA-N 454.000 4.991 50 10 JJGE CC(C)(C#N)OCCOc1c(Br)cc(CBr)cc1Br 2111398548 IOGQQYAQERTUJN-UHFFFAOYSA-N 455.972 4.804 50 10 JJGE Fc1cc2c(cc1I)nc(CCCl)n2[C@@]12C[C@H]1CN(Cc1ccccc1)C2 2155866140 VJHLIILPGBFFCM-YCRPNKLZSA-N 495.767 4.792 50 10 JJGE CN([C@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1 2156439840 YKAQHQVLVNCKBI-VQTJNVASSA-N 452.414 4.586 50 10 JJGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1cc(CBr)c(C)cc1C 2179860055 MNHXYDIPHHSCDU-UHFFFAOYSA-N 454.430 4.816 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CC2(CC[C@@H]1CCl)CC2 2207264415 FJYUMAMYVJZJAR-LLVKDONJSA-N 468.560 4.677 50 10 JJGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2CCC[C@H](Cl)[C@H]2C1 2207265284 PEPBLNDUBWDXON-XDTLVQLUSA-N 468.560 4.533 50 10 JJGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC[C@H]1C[C@@H](Br)C1 2241638369 XRCMROFBRJVAMA-CALCHBBNSA-N 471.395 4.595 50 10 JJGE O=C(NCC[C@H]1CCCC[C@@H]1Br)c1c(F)cccc1I 2282787379 PPAXUKGJNBPAAW-MNOVXSKESA-N 454.121 4.504 50 10 JJGE CCO[C@@]1(COc2c(Br)cc(CBr)cc2Br)CCOC1 2287070484 PWTOVCMICJQDOP-AWEZNQCLSA-N 472.999 4.681 50 10 JJGE O=S1(=O)CCC([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1 2288373160 GEDBEDOWLHGRDP-SNVBAGLBSA-N 496.993 4.751 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)cc(Cl)c1OCc1cccc(C(=O)O)c1 2294171841 CLHBZMDUHMRUAU-UHFFFAOYSA-N 480.904 4.832 50 10 JJGE CNC(=O)c1c(NC(=O)C(C#N)=Cc2c(-c3ccccc3)nc3ccccn23)sc2c1CCCC2 2296791887 HYYDQUHZQJHCLQ-UHFFFAOYSA-N 481.581 4.847 50 10 JJGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 2314616838 KVOMWTUGSPLIJZ-UHFFFAOYSA-N 493.523 4.982 50 10 JJGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CNCc1cccc(Br)c1 2325312870 NJYBQQRYNFUOJQ-UHFFFAOYSA-N 456.340 4.542 50 10 JJGE BrC[C@@H](Cc1ncc(I)cn1)c1ccccc1Br 2328041774 DWEZBDJMCSRYQP-SECBINFHSA-N 481.957 4.565 50 10 JJGE COc1cccc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1OCc1ccccc1Cl 2328829468 IRZBCLIATPTEIF-FQEVSTJZSA-N 487.984 4.777 50 10 JJGE O=C(NC12CCC(CBr)(CC1)C2)c1ccc(Cl)cc1I 2365584841 UHBCLLXEYKZZDL-UHFFFAOYSA-N 468.560 4.772 50 10 JJGE C[C@]12C[C@H](C1)[C@@H](CO[C@H](CI)c1ccccc1Br)CO2 2366743855 HCIKTWXVTKHDHQ-YXAMBPQSSA-N 451.142 4.757 50 10 JJGE O=C(N[C@@H]1C[C@@H](CBr)C12CCC2)c1c(Br)cccc1Br 2379719961 NWRNLBIZPABBAN-JOYOIKCWSA-N 466.011 4.895 50 10 JJGE Cc1cccc(C[C@H]2S/C(=C(\C#N)C(=O)NCCc3ccccc3)N(c3ccc(F)cc3)C2=O)c1 1888913 INLNTABMIMQIFQ-NJEMLTPYSA-N 485.584 4.919 50 10 JJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 14029051 NJBOGHMFDYPQNQ-UHFFFAOYSA-N 492.041 4.630 50 10 JJGE N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)c1nc(CCN2C(=O)c3ccccc3C2=O)cs1 33737137 HDXVSVIKIUIEJJ-ZROIWOOFSA-N 464.890 4.608 50 10 JJGE CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(CCc4ccccc4)C(=O)C(C#N)=C3C)o2)cc1 38607523 QJLPYASEGIOGJF-JJIBRWJFSA-N 480.520 4.958 50 10 JJGE Cc1ccc(CNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)cc1 40825722 MMLGVBACDRUYMU-DFKUXCBWSA-N 466.541 4.845 50 10 JJGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCC)cc2OC)cc1 40884699 YLBOIXVPDPJGRW-BUJGOANSSA-N 462.546 4.926 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C)cc2Br)cc1 40987974 QOZWCJSUFMUYEQ-QGOAFFKASA-N 471.351 4.565 50 10 JJGE CCCCCOc1ccc(CN2C(=O)/C(=N/NC(=O)c3ccc(O)cc3)c3ccccc32)cc1 102769544 BDDXZUUDSOJLGY-AZPGRJICSA-N 457.530 4.642 50 10 JJGE O=[N+]([O-])c1ccccc1OC[C@@H](CCl)S[C@@H](CCl)COc1ccccc1[N+](=O)[O-] 108447746 BXHGUOOIGDHIBR-OKILXGFUSA-N 461.323 4.909 50 10 JJGE C=C(C)c1cccc(C(C)(C)NC(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)c1 207212470 JOBQTOJSLRZDIV-JCMHNJIXSA-N 489.572 4.518 50 10 JJGE C[C@@H](N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 216489835 ZNDPYGSVDSSLAK-ARFXMCQGSA-N 450.586 4.678 50 10 JJGE COCCCOCCC(CBr)(CBr)c1cccc(Br)c1 232239977 HLGCYQFEQUAIFD-UHFFFAOYSA-N 473.043 4.920 50 10 JJGE O=C(N[C@@H]1CCCCC[C@@H]1Br)c1cc(Cl)ccc1I 236066826 SNWTWGGBIOVGQR-WCQYABFASA-N 456.549 4.771 50 10 JJGE Cc1c(C=NNC(=O)c2csc3c2CCCC3)c(=O)n(-c2ccccc2)n1-c1ccccc1 254870506 ZOIHORYYOXIAMO-UHFFFAOYSA-N 456.571 4.641 50 10 JJGE Fc1cc2c(cc1Br)nc(CCl)n2C[C@@H]1CN(Cc2ccccc2)CCO1 380502018 XWGBKEDJBNUYIN-HNNXBMFYSA-N 452.755 4.578 50 10 JJGE COc1cc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)ccc1F 382705570 SJLBLMHKRBNZMB-IRXDYDNUSA-N 469.294 4.622 50 10 JJGE CN(C[C@@H]1CCC[C@@H]1Br)C(=O)c1cc(Br)cc(Br)c1 708325014 FGSINMDRWTYORT-ZANVPECISA-N 454.000 4.847 50 10 JJGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 1084642725 YLWDZXOKXGQXPS-QFIPXVFZSA-N 452.938 4.892 50 10 JJGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2cccc(Cl)c2Cl)c1C 1084648280 FVADJBPBWICXKT-UHFFFAOYSA-N 473.360 4.888 50 10 JJGE CCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc1 1772746892 IIIOCXGQLVUEJK-UHFFFAOYSA-N 490.516 4.547 50 10 JJGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1ccccc1 1865694564 ZIVQHEPXZSJGNM-QHCPKHFHSA-N 458.562 4.899 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1cccnc1 1865700552 WYTRSXIKESXIKF-AWEZNQCLSA-N 452.223 4.811 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865710378 WQGJLSFDNRXRPF-HSZRJFAPSA-N 450.498 4.775 50 10 JJGE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(Cl)cc3)sc2c1 1866128531 XAWNDYBFVAWYNU-GHRIWEEISA-N 499.017 4.858 50 10 JJGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C[C@H](Br)C1 1877388926 OORLXSZVPDXJDQ-SEPYTNNBSA-N 485.422 4.839 50 10 JJGE CC(C)(C)OC(=O)N[C@H](CBr)Cc1sc(Cl)cc1I 1889588587 FOSQYOWXBZXKMU-ZETCQYMHSA-N 480.593 4.837 50 10 JJGE CC[C@H](Cl)CN(Cc1ccccc1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 1901046164 YCJMVSBMKQTFIL-NRFANRHFSA-N 491.053 4.692 50 10 JJGE CN(C[C@H](Cl)COCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1Cl 1916333690 WXJHQWPPXAXQNS-HNNXBMFYSA-N 467.212 4.547 50 10 JJGE COc1ccc(C(=O)N(C)C[C@H](Br)COCc2ccccc2)cc1Br 1916335883 WZIMTUULSGGZJR-INIZCTEOSA-N 471.189 4.510 50 10 JJGE CCc1nn(C)c(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)c1Br 2072299778 BMKYCXFHOMJDOL-UHFFFAOYSA-N 469.221 4.705 50 10 JJGE CC1(C)[C@H](CBr)CCN1C(=O)c1c(Br)cccc1Br 2095199828 MPNNTSZKBKVRFV-VIFPVBQESA-N 454.000 4.847 50 10 JJGE COc1cc(Br)c([C@H](Br)C2(Br)CC2)c(OC)c1OC 2125500884 PDDKFLSRWUELAN-LBPRGKRZSA-N 458.972 4.838 50 10 JJGE O=S(=O)(c1cc(CBr)ccc1Cl)N1CCC[C@@H](OCc2ccccc2)C1 2129813452 BVZQRZODAOPQFM-QGZVFWFLSA-N 458.805 4.605 50 10 JJGE COCC12CC([C@@H](Br)c3cc(Br)ccc3Br)(CO1)C2 2141160079 JPNKLAIMZHHFPO-HSBZDZAISA-N 454.984 4.843 50 10 JJGE C[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)CC[C@H]1CCCl 2172462530 FESQBIMZONCQQM-WDEREUQCSA-N 470.576 4.781 50 10 JJGE Fc1cc(Br)cc(N2CC[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)c1CBr 2185516301 VFZWVLJGBZGSDL-SFTDATJTSA-N 498.234 4.963 50 10 JJGE O=[N+]([O-])c1sc(CBr)cc1N1CCN(Cc2ccccc2)C[C@H]1C(F)(F)F 2186709819 APSVBHLWNAGVMU-HNNXBMFYSA-N 464.307 4.804 50 10 JJGE C[C@H](Br)CCCc1cn(Cc2ccc(Br)cc2Br)nn1 2189282799 RKYHVAQFDPZYMP-JTQLQIEISA-N 466.015 4.958 50 10 JJGE O=C(NC[C@]1(CBr)C[C@H]1C(F)(F)F)c1scc(Br)c1Br 2192581509 KXDLTQDFNMXXPG-LHLIQPBNSA-N 499.972 4.966 50 10 JJGE CN(C1CC(CBr)C1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2193575584 UXGIIZPAMGNHPP-UHFFFAOYSA-N 466.022 4.550 50 10 JJGE C[C@@H]1C[C@H](Br)[C@@H](C)N(C(=O)c2cccc(Br)c2Br)C1 2227600354 MTPQPCDUJLHCRM-LNLATYFQSA-N 454.000 4.846 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cccc(Cl)c1Br 2256094874 HFPIAYIBLXLMRB-UHFFFAOYSA-N 469.854 4.738 50 10 JJGE Fc1cc(CCl)c(-n2cnc(I)c2I)cc1Cl 2300239734 CDARISMAICPZCN-UHFFFAOYSA-N 496.876 4.613 50 10 JJGE CCCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1OC 2313518819 VFDNAFLJLRBJCT-UHFFFAOYSA-N 476.314 4.943 50 10 JJGE Cc1cc(Br)c(F)c(C(=O)N[C@H](CCBr)COCc2ccccc2)c1 2320356932 UFJKSKHKZLFGLV-OAHLLOKOSA-N 473.180 4.997 50 10 JJGE C[C@H]1[C@H](C)N(C(=O)c2cc(Br)sc2Br)CC[C@H]1Br 2321284634 HITCQJRGNVDOEJ-ACLDMZEESA-N 460.029 4.907 50 10 JJGE CCOc1cc(C=NNC(=O)c2ccc3nc(-c4ccccc4O)[nH]c3c2)ccc1OC(C)C 2323739716 IANWWAYHDXJXBB-UHFFFAOYSA-N 458.518 4.885 50 10 JJGE CO[C@@H](CO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 2336211948 KGVFGVQPKFOTHS-PXNSSMCTSA-N 475.367 4.595 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@H]2CC[C@H]1[C@@H](Br)C2 2349951532 YGSWGSPNZNIPCS-UWJYBYFXSA-N 451.984 4.600 50 10 JJGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1c(F)c(F)cc(F)c1F 2364063109 GIMUEIDRKOKBMN-LURJTMIESA-N 480.879 4.986 50 10 JJGE N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1)C(=O)NCc1cccnc1 20530196 REEKURYVGYOZGE-LPYMAVHISA-N 453.933 4.870 50 10 JJGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40824065 VJUARDCWBBWKCM-UXHLAJHPSA-N 488.441 4.973 50 10 JJGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244576 UFIQSPLHLIEVEV-GFPZRUSRSA-N 473.529 4.899 50 10 JJGE CCCCOc1ccc(/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 214373183 SMHHZGKKJDTDCN-KQWNVCNZSA-N 474.557 4.718 50 10 JJGE CCC(CBr)(CBr)NC(=O)c1cc(Br)ccc1Cl 232852183 PJUWUYNQYQIIGD-UHFFFAOYSA-N 462.407 4.771 50 10 JJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc(F)cc2)cc1 254288733 AOGPJYUXKFDXQJ-UHFFFAOYSA-N 472.472 4.736 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CCl)[C@H](c2ccc([N+](=O)[O-])cc2Br)C1 1614641273 FUNHXRCDIIBPMN-RHSMWYFYSA-N 453.720 4.948 50 10 JJGE CCCCCCOc1ccc(C=NNC(=O)COc2ccc(Br)cc2)cc1OC 1772754607 LPILLHITLRPWCH-UHFFFAOYSA-N 463.372 4.946 50 10 JJGE CN=c1ccn([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(O)n1 1848440892 AZIFAKAOQRBTSY-YQVWRLOYSA-N 469.775 4.819 50 10 JJGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)Nc1cccc2ccccc12 1858682348 NRBKYPPTCYEJBL-UHFFFAOYSA-N 476.420 4.911 50 10 JJGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865691856 CNVGPPFDOGGXRW-JOCHJYFZSA-N 494.979 4.781 50 10 JJGE N#C/C(=C\c1cccc(Cl)c1)C(=O)NC[C@@H](c1ccccc1)S(=O)(=O)c1ccccc1 1866129999 VUQZVMRJZZMGKK-YSSBIZNGSA-N 450.947 4.578 50 10 JJGE CCCC[C@H](NC(=O)c1cc(C)n(-c2ccccc2F)n1)C(=O)Nc1ccc(SC#N)cc1 1867167714 IQRMSPHOUHVJIJ-FQEVSTJZSA-N 465.554 4.820 50 10 JJGE CC(C)c1csc(/C(C#N)=C(\O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 1872750532 KYSOCIDHLWGEBC-SDXDJHTJSA-N 454.508 4.824 50 10 JJGE Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4)cc3)ccc12 1873794070 SVPDNLLAXBZVST-CCVNUDIWSA-N 476.916 4.863 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 2010826035 VNMZUTQKHCFYTC-MSOLQXFVSA-N 477.737 4.956 50 10 JJGE C[C@@H]1[C@H](NCCSSCCNC(=O)OC(C)(C)C)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2010828104 AWQZVKSDLUROQV-BRSBDYLESA-N 475.721 4.659 50 10 JJGE O=C(N[C@H]1CCC[C@H]1CCBr)c1csc(Br)c1Br 2032953311 HFPRPMPFTMGAGN-CBAPKCEASA-N 460.029 4.957 50 10 JJGE CC(C)[C@@](C)(CBr)NC(=O)c1ccc(Br)cc1I 2086151797 SREYKDSOMKEFNV-CYBMUJFWSA-N 488.989 4.593 50 10 JJGE O=C(NC[C@H](CBr)C(F)(F)F)c1cc(Br)ccc1Br 2105269625 JDHUJXIBOIMCJU-LURJTMIESA-N 467.905 4.515 50 10 JJGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Cl 2123199181 OUNJWPSKJFGRGM-UHFFFAOYSA-N 460.821 4.852 50 10 JJGE O=C(NC1(CCCBr)CCC1)c1ccc(I)c(Cl)c1 2140873786 XPDAJPGOTMBMFP-UHFFFAOYSA-N 456.549 4.772 50 10 JJGE CC1(C)C[C@@H](C[C@H](Br)c2cc(I)cc3c2OCC3)CO1 2159418606 GWMDGXNQGWLKRY-YGRLFVJLSA-N 451.142 4.867 50 10 JJGE Brc1ccc(CN2C[C@@H](Br)C3(CCOCC3)C2)c(Br)c1 2174365066 PGPYLBORZGYLHW-CQSZACIVSA-N 468.027 4.588 50 10 JJGE CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cc(CBr)c(Cl)cc2Cl)C1 2179827576 GUSNPTXOZSEESU-MRXNPFEDSA-N 492.266 4.783 50 10 JJGE O=S(=O)(c1ccc(OCCBr)cc1)N(CCC(F)(F)F)Cc1ccccc1 2179860677 VXMATKLJWWOMQD-UHFFFAOYSA-N 466.319 4.604 50 10 JJGE Cc1nn(C)c(Br)c1CN(C)c1ccc(Br)cc1CBr 2185786176 IXCCMPGRWKTSND-UHFFFAOYSA-N 466.015 4.785 50 10 JJGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CO[C@@H]3COC[C@@H]32)c1Br 2201072292 LXXSFUIPUDKADW-NDLNZWKESA-N 469.011 4.926 50 10 JJGE O=C(NCC[C@@H]1CCCC[C@@H]1Cl)c1ccc(Br)cc1I 2207261126 KCXVHHIUMMSXRT-GWCFXTLKSA-N 470.576 4.971 50 10 JJGE O=C(NC[C@@]12CCC[C@]1(CBr)C2)c1cc(Cl)ccc1I 2208040313 RBUFXUIZLMRFRU-CABCVRRESA-N 468.560 4.630 50 10 JJGE Clc1nc(Cl)n(CCc2cccc(I)c2)c1CBr 2260861873 CIFOWJCYPZFRMZ-UHFFFAOYSA-N 459.940 4.932 50 10 JJGE O=C(NCC1(CBr)CC(F)(F)C1)c1cc(Br)sc1Br 2266908655 SOXFZTNQBWBIDG-UHFFFAOYSA-N 481.982 4.813 50 10 JJGE CC(C)(C)[C@H](CBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277913824 BOBXGNJLAPIOFZ-LBPRGKRZSA-N 456.016 4.680 50 10 JJGE CNC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2c1CCCC2 2296819115 WVYCFOZFYJXKKA-UHFFFAOYSA-N 476.514 4.700 50 10 JJGE FC(F)(F)CN(CCBr)Cc1ccc(Cl)c(I)c1 2315550602 GGJUVYUFAJVNKT-UHFFFAOYSA-N 456.471 4.704 50 10 JJGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CNCCc1ccccc1Br 2325312988 ZUQQDGRPLCSEMV-UHFFFAOYSA-N 470.367 4.584 50 10 JJGE N#CC(=CN1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)Nc1ccccc1Sc1ccccc1 2325339566 GYGSLSQXVZWTTI-UHFFFAOYSA-N 498.608 4.730 50 10 JJGE COc1ccc(Br)cc1[C@H](Br)c1c(Br)nc(C)n1C 2337320298 XLNNQRMCUBOLCV-NSHDSACASA-N 452.972 4.746 50 10 JJGE CN(CC[C@@H](Br)c1cccs1)S(=O)(=O)C1CC(OCc2ccccc2)C1 2340652027 QWNKPFSXPRQRTA-DAWZGUTISA-N 458.443 4.584 50 10 JJGE O=C(N[C@@H]1C[C@H](CBr)C12CCC2)c1csc(Br)c1Br 2351635213 PSNRANGGXYXNIA-VXNVDRBHSA-N 472.040 4.957 50 10 JJGE CC1(C)CC(CBr)(CN2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)C1 2371147059 MBRIMZFIHLVSEA-UHFFFAOYSA-N 458.466 4.727 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)CCC2CCCCC2)c(Br)c1 14029332 XQSHMXYZTUNJTC-UHFFFAOYSA-N 498.487 4.508 50 10 JJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1 14040236 SZFCIYZFRWMLOE-IBGZPJMESA-N 459.546 4.599 50 10 JJGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1cccc(OCc2cscn2)c1 16705774 XDXPYHJYLAGRKT-UHFFFAOYSA-N 480.373 4.649 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1cc(C)ccc1C 40870087 LMJMKHUNKMFZCD-OEAKJJBVSA-N 470.525 4.520 50 10 JJGE COc1cc(/C=N/NC(=O)COc2cccc(Br)c2)ccc1OCCc1ccccc1 40911685 MKBMAWXNRHLQNL-WGOQTCKBSA-N 483.362 4.608 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2sccc2C(=O)OC(C)C)cc(Br)c1O 96438565 PAIWMFOQEHLKSE-QPEQYQDCSA-N 479.352 4.726 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCCCC(F)(F)F)C1 231319156 OICFIQHQOXATMZ-CQSZACIVSA-N 451.267 4.550 50 10 JJGE C=CCCC(C)=NNC(=O)CNc1c(Br)cc(Br)cc1Br 252610026 HYCWAYDEEQDFAF-UHFFFAOYSA-N 482.014 4.844 50 10 JJGE O=C(CBr)c1c(I)ccc(Br)c1C(F)F 575687923 XIXPQFTWJKGYKG-UHFFFAOYSA-N 453.846 4.569 50 10 JJGE C[C@H]1CC[C@@H](CBr)CN1C(=O)c1cc(Br)c(Br)s1 688645294 PUZCWYRWTFUWLR-YUMQZZPRSA-N 460.029 4.909 50 10 JJGE COc1ncnc2c1nc([C@H](C)Cl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705603194 ILPRQVAFWSMLEX-IBGZPJMESA-N 477.996 4.606 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)c(C)n1CC(C)C 855283727 DRCPSURWCPAEIS-XUVWKZFSSA-N 462.594 4.839 50 10 JJGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(F)cc1 1083958908 QQZRMFMFZNGYPM-UHFFFAOYSA-N 463.509 4.509 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OC)c(O)c1)C(C#N)=C(N)O2 1865682109 GFXFGFNHHCOICG-HXUWFJFHSA-N 481.350 4.520 50 10 JJGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1cc(C)ccc1C 1865694620 ZWMIYWHKXSHHEH-QHCPKHFHSA-N 458.562 4.736 50 10 JJGE CC[C@](C)(NC(=O)Cc1ccc(C)c(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867232339 RXBOPCDEHYRKBO-NRFANRHFSA-N 460.397 4.797 50 10 JJGE Cc1nn(C)c([C@@H](Br)[C@H](C)c2ccncc2Br)c1Br 1877175266 LTHPNGFAZQIKPC-HQJQHLMTSA-N 451.988 4.888 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H](Br)C12CCC2 1914408139 GQQGPWKJFBQRIU-GFCCVEGCSA-N 498.984 4.586 50 10 JJGE O=C(CBr)c1ccc(I)c(C(F)(F)F)c1Br 2054878522 SEJCZGZTLAOMKC-UHFFFAOYSA-N 471.836 4.650 50 10 JJGE CN(CCCOCc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Br 2059313083 TXQILDWNPVKTLC-UHFFFAOYSA-N 491.245 4.571 50 10 JJGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2Br)[C@H](C)C[C@H]1Br 2093110547 CRYCGCZYXUEYKG-KBVBSXBZSA-N 454.000 4.846 50 10 JJGE C[C@]1(CBr)CC(F)(F)CN1C(=O)c1scc(Br)c1Br 2102807825 WICHEHSOXRGJMW-SNVBAGLBSA-N 481.982 4.908 50 10 JJGE CC1(C)CO[C@@H](CBr)CN1Cc1cccc(Br)c1Br 2111239985 YIONBAINSQSNPZ-NSHDSACASA-N 456.016 4.586 50 10 JJGE O=C(N[C@@H]1CCCC[C@@H]1CCBr)c1cccc(F)c1I 2146722748 DKQYEDQDBNZFBP-ZWNOBZJWSA-N 454.121 4.504 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@@H](C(F)(F)F)[C@@H](CCl)C1 2163346013 YJHMVRDGYXLWJZ-CAHLUQPWSA-N 455.521 4.762 50 10 JJGE CC1(C)CN(S(=O)(=O)c2ccc(CBr)cc2Cl)CCN1Cc1ccccc1 2179794229 DZJJGXLCLFSNAW-UHFFFAOYSA-N 471.848 4.520 50 10 JJGE Cc1cc(S(=O)(=O)N2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@H]2C)sc1CBr 2179821756 NQVMYHWKBBXDON-YESZJQIVSA-N 471.486 4.623 50 10 JJGE Cc1cc(C)c(S(=O)(=O)N(C)[C@@H]2CC[C@H]2OCc2ccccc2)cc1CBr 2179859409 DCCJFPXGFHGMDP-WOJBJXKFSA-N 452.414 4.567 50 10 JJGE Brc1cccc([C@H](CI)O[C@H]2CCN3CCC[C@@H]3C2)c1 2199478170 YYKXSXUJVXDCIT-PMPSAXMXSA-N 450.158 4.569 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1cc(Br)cc(Br)c1 2204565615 WABSJZHVTYZGAZ-GZBPVQSJSA-N 466.011 4.894 50 10 JJGE CC(C)[C@@H](CCBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277931420 GXESHEKWGDDPLM-CYBMUJFWSA-N 456.016 4.680 50 10 JJGE Cc1c(NC(=O)C(C#N)=Cc2cccc(Oc3ccccc3)c2)c(=O)n(-c2ccccc2)n1C 2296537463 OHZUWTPTJFQGHG-UHFFFAOYSA-N 450.498 4.822 50 10 JJGE CCCN1C[C@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 2325208780 IRVCZUVISVUTFN-YPMHNXCESA-N 487.017 4.702 50 10 JJGE CC1(C)CC(CBr)(CN=[S@](C)(=O)CC2CC(NC(=O)OC(C)(C)C)C2)C1 2345004591 MNPCHHDTKFGIMS-JZOGHIHUSA-N 451.471 4.589 50 10 JJGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1 14653097 PZYVPPRKDPVEGG-UHFFFAOYSA-N 490.398 4.687 50 10 JJGE Cc1cccn2c(=O)c(/C=C(\C#N)c3nc4ccccc4n3C)c(Oc3ccccc3F)nc12 33584191 VWKHUMDOEWINPQ-SAPNQHFASA-N 451.461 4.885 50 10 JJGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc(Cl)cc3C)cc2)cc1OC 33959257 CRHBCEJNHIALGU-PYWPZVNCSA-N 496.947 4.802 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OC)cc1 38650024 KMPWERLEJJRVSX-VWLOTQADSA-N 456.498 4.921 50 10 JJGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)c1 38684941 QQHFSDBGDMPGJJ-HHHXNRCGSA-N 470.525 4.905 50 10 JJGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccccc2C)c(C)c1 39993125 LXOOTOZCWQSFBU-HMMYKYKNSA-N 450.498 4.958 50 10 JJGE C/C(=N\NC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccc(C)cc1 58991064 UFQNIHLGIJECEG-SGWCAAJKSA-N 469.614 4.993 50 10 JJGE O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1nc2ccccc2s1 59148555 GUWNYIJCPLHHAH-WSDLNYQXSA-N 463.431 4.669 50 10 JJGE O=C(CCc1ccccc1)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 59445394 OTGAOXPEGPGVIZ-NFFVHWSESA-N 480.337 4.588 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1O 59483980 JLNZLYYXCMELSW-KPKJPENVSA-N 468.678 4.595 50 10 JJGE CCC(CC)(CBr)COc1c(I)cc(C#N)cc1[N+](=O)[O-] 96870046 XOIGWJWCTMBOBI-UHFFFAOYSA-N 467.101 4.651 50 10 JJGE O=S(=O)(NC[C@H](Br)c1ccccc1)c1cc(Br)ccc1Br 136760947 UGOUBZADABRLKZ-ZDUSSCGKSA-N 498.034 4.626 50 10 JJGE COc1cc(OC)c(C=NNC(=O)C(c2ccccc2)c2ccccc2)cc1Br 252460067 BIKFOBXUNBVPSQ-UHFFFAOYSA-N 453.336 4.749 50 10 JJGE COc1cc(F)c([C@H](Br)c2sccc2I)cc1OC 311866269 KXTVQKZHHNHBEH-LBPRGKRZSA-N 457.102 4.993 50 10 JJGE C[C@H](CCBr)CCNC(=O)c1cc(I)ccc1Br 397760896 VMVGKBCRMMQTNT-SECBINFHSA-N 488.989 4.595 50 10 JJGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=CCCc1ccccc1 1084188295 ZZLSMLNYTILIQP-UHFFFAOYSA-N 454.162 4.634 50 10 JJGE CCOc1cc(C=NNC(=O)c2cc(OC)cc(OC)c2)ccc1OCc1ccc(F)cc1 1084363229 VOOKOPIMXIVNEV-UHFFFAOYSA-N 452.482 4.585 50 10 JJGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)C(=O)Nc2ccc(Br)cc2)c1C 1084474255 UDWBNNCIKYNPAP-UHFFFAOYSA-N 467.367 4.562 50 10 JJGE CC(=NNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 1084556243 KVGQIIIVBNKNHZ-UHFFFAOYSA-N 473.957 4.523 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865709758 GGPMWDXKHFUNOL-DEOSSOPVSA-N 464.525 4.834 50 10 JJGE COc1cc(/C=N\NC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)cc(Br)c1O 1865761931 DBMIXFYCMDCDMA-MRUKODCESA-N 476.277 4.576 50 10 JJGE CC[C@H](NC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866849637 DDDQHNHTWKMQOG-IBGZPJMESA-N 498.406 4.664 50 10 JJGE CN(Cc1sccc1I)C[C@H](Br)COCc1ccccc1 1888199327 YWRUETUIQHLNGX-AWEZNQCLSA-N 480.209 4.765 50 10 JJGE Cc1cc(C(=O)N(C)C[C@H](Br)COCc2ccccc2)sc1Br 1916374781 NOGNDYVJDIYHHW-AWEZNQCLSA-N 461.219 4.871 50 10 JJGE CCS(=O)(=O)C[C@@H](Br)c1c(Br)sc(Br)c1Cl 1988339851 PXINUFNBMFTGCJ-SCSAIBSYSA-N 475.449 4.797 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2[C@@H](Br)CCC[C@H]2C1 2094587286 KBTKJPMSHAATBL-YIZRAAEISA-N 472.040 4.909 50 10 JJGE CN(C(=O)c1cc(I)ccc1Br)C1(CCl)CCCC1 2113805042 UZDIYDGZDZXJDB-UHFFFAOYSA-N 456.549 4.677 50 10 JJGE BrCc1cc(Br)c(OC[C@@H]2C[C@@H]3C[C@@H]3CO2)c(Br)c1 2122884165 VMKDGUHQMWEKDA-AXFHLTTASA-N 454.984 4.910 50 10 JJGE O=S1(=O)C[C@@H]2CCC[C@]2([C@H](Br)c2ccc(Br)cc2Br)C1 2203687076 PAQFJXAGBKEMJA-FZZIBODNSA-N 487.051 4.863 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@H](Cl)Cc1cc(Br)cc(OC(F)(F)F)c1 2250866050 BOFPTQTWJJXPEM-GFCCVEGCSA-N 462.649 4.794 50 10 JJGE O=C(c1sccc1I)N1C[C@H](Br)C[C@@H]2CCCC[C@H]21 2264832522 UYEMAYBBZZIYPZ-HOSYDEDBSA-N 454.171 4.521 50 10 JJGE CC1(C)CC[C@H](CBr)N1C(=O)Cc1cc(Br)cc(Br)c1 2295314401 XNHJIWWWJUDZDD-CYBMUJFWSA-N 468.027 4.919 50 10 JJGE FC1(F)C[C@H](CBr)N(Cc2ccc(I)c(Br)c2)C1 2325220715 JNTOWXWJFQXWDG-SECBINFHSA-N 494.943 4.658 50 10 JJGE C[C@H]1Cc2cc([C@@H](Br)c3c(Br)ncn3C)cc(Br)c2O1 2362494070 MDXDXIBJIBGOJL-WRWORJQWSA-N 464.983 4.753 50 10 JJGE COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 33930245 YTJWFJLTFZJIBC-WDZFZDKYSA-N 481.100 4.674 50 10 JJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1 38658119 KLRUEONUPOEAIF-HHHXNRCGSA-N 468.509 4.762 50 10 JJGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C 39993101 FJYSFTNQETUXQC-HMMYKYKNSA-N 480.524 4.966 50 10 JJGE Cc1c(C(=O)N2CCC(C)CC2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812809 XEZZFUMNYQEEAI-XIEYBQDHSA-N 472.383 4.693 50 10 JJGE CCOc1ccc(/C=C(\C#N)C(=O)N(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)cc1OC 40977731 XJGBQDBTZFWWSY-OQKWZONESA-N 490.581 4.985 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)OC)ccc1OC(=O)c1ccccc1 96401903 FGDBIOCXHBYJCD-HKWRFOASSA-N 470.481 4.637 50 10 JJGE Cc1ccc(-c2nc(C)c(C(=O)NNC(=O)c3ccc(Br)s3)s2)c(C)c1 109399699 UHLHBQIGSRBHJZ-UHFFFAOYSA-N 450.383 4.634 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1[C@H]2CC[C@H]1CC(Br)C2 123647999 RUVJWEALSPUKIF-YUMQZZPRSA-N 458.013 4.804 50 10 JJGE ClCCCc1cn(-c2c(Br)cc(Br)cc2Br)nn1 227918525 PZPBATDMQMAXNJ-UHFFFAOYSA-N 458.379 4.726 50 10 JJGE Cc1ccc(Cn2c(SCC(=O)NN=Cc3ccccc3[N+](=O)[O-])nc3ccccc32)cc1 254487256 XYXXKVMZFIPPNK-UHFFFAOYSA-N 459.531 4.544 50 10 JJGE O=C(COc1cccc2ccccc12)NN=Cc1ccc(OC(=O)/C=C/c2ccccc2)cc1 254762063 BPDRDBHSFFWBMV-ZKSJOLQTSA-N 450.494 4.988 50 10 JJGE Cn1cc(CCCOc2c(Br)cc(CBr)cc2Br)cn1 314473605 ZSPQVBXNGAXAFC-UHFFFAOYSA-N 466.999 4.852 50 10 JJGE CC[C@@H](Br)CCCNC(=O)c1ccc(I)c(Br)c1 721617795 YSKKBKIPRCCAJK-SNVBAGLBSA-N 488.989 4.737 50 10 JJGE COc1ccc(OC)c([C@H](Br)c2cccc(F)c2I)c1 721697624 LTBLYPWPFUFACJ-CQSZACIVSA-N 451.073 4.932 50 10 JJGE Cc1ccc(OCCNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c(C)c1 818056706 FZDAJXHRQZUDEO-RCCKNPSSSA-N 473.964 4.836 50 10 JJGE CC[C@H](C)NC(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749818 PNXSGFFVQMHAHJ-LBPRGKRZSA-N 466.365 4.659 50 10 JJGE Cc1sc2ncn(CC(=O)N/N=C/c3ccc(C(F)(F)F)cc3)c(=O)c2c1-c1ccccc1 1860773410 YGPFPAKFZZEGGJ-IPBVOBEMSA-N 470.476 4.603 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1 1865692555 CHYWWFUJIQKLCB-SFHVURJKSA-N 456.424 4.517 50 10 JJGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696780 KIUOMWNVLUTPTL-DEOSSOPVSA-N 474.561 4.847 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1cccs1 1865698074 JTTCDVNHPSAROY-CYBMUJFWSA-N 467.270 4.933 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1ccccc1C(=O)O 1865703728 DCIWJJXMKMCJLR-JOCHJYFZSA-N 466.472 4.654 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)c(OC)c1 1865707866 IBZQXCIJPNFKKC-KRWDZBQOSA-N 476.842 4.780 50 10 JJGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 1865709647 DREJAYOCZWEHDB-LJQANCHMSA-N 470.316 4.927 50 10 JJGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCCN1CCOCC1 1872790618 UNMNQKIBPYGZBB-PXLXIMEGSA-N 461.587 4.902 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2COC3(CCCCC3)C2)CC1 1879028711 FXBPCOVERKJFBU-MRXNPFEDSA-N 479.399 4.700 50 10 JJGE Cc1sc(Br)cc1C(=O)N[C@H](CCBr)COCc1ccccc1 1902793698 CSHODRJIARJJQI-CQSZACIVSA-N 461.219 4.919 50 10 JJGE BrCCC[C@@H]1CCCN1c1ncc(I)cc1Br 2015764437 ARXNMHLUVTUSEO-SNVBAGLBSA-N 473.978 4.593 50 10 JJGE CC1CC(CBr)(CNC(=O)c2cc(Br)c(Br)s2)C1 2065458021 FNLGVSYPWKTPPQ-UHFFFAOYSA-N 460.029 4.814 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2C[C@H]1CC[C@@H]2Br 2088648059 ZUKMSLCXQPXTJN-UISBYWKRSA-N 451.984 4.600 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]([S@](C)(=O)=NCC2(CBr)CCCCC2)C1 2106787058 XRPLXHWSISLIHT-QMTYFTJSSA-N 451.471 4.829 50 10 JJGE CN([C@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(CCl)oc1Br 2156445808 YQWAPUWZXJLILN-DOTOQJQBSA-N 476.820 4.785 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@H](C(F)(F)CBr)C1 2197763952 QNXWXXLECNDNRS-VIFPVBQESA-N 475.953 4.704 50 10 JJGE CC(C)(C)OC(=O)NC1(C2CCN(CCCCCI)CC2)CCC1 2214705350 QSZJFGJIQNCZAJ-UHFFFAOYSA-N 450.405 4.751 50 10 JJGE Cc1ccc([C@@H](CI)OCCOCCOCCOCc2ccccc2)cc1 2236088813 MBMATDYEQOHKLP-JOCHJYFZSA-N 484.374 4.738 50 10 JJGE CN(C(=O)Cc1cc(Br)cc(Br)c1)C(C)(C)CCBr 2277935182 FAQYJWHDCXHPRX-UHFFFAOYSA-N 456.016 4.776 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1CCCC[C@@H]1Br 2277961463 UMNZHSFHFYZFNT-QWHCGFSZSA-N 454.000 4.576 50 10 JJGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593562 PEWKFCUBXVULQI-RUZDIDTESA-N 483.593 4.746 50 10 JJGE COc1ccc(Br)cc1C(=O)N[C@H](CCBr)COCc1ccccc1 2320358787 SUYOODLGFBECAE-MRXNPFEDSA-N 471.189 4.558 50 10 JJGE COc1cccc(C=CC(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)c1 2321176160 ITMHECNGNQQMTE-UHFFFAOYSA-N 456.329 4.847 50 10 JJGE COc1cc(C=NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccc(C)cc1 2321721589 PLCYADKQOHQPHI-QFIPXVFZSA-N 481.593 4.680 50 10 JJGE CCCN1C[C@@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 2325208778 IRVCZUVISVUTFN-DGCLKSJQSA-N 487.017 4.702 50 10 JJGE COc1cc(C)c([C@H](Br)c2c(Br)ncn2C)cc1Br 2337285958 UGVCITXRZZUMCR-NSHDSACASA-N 452.972 4.746 50 10 JJGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2[C@@H]3CCO[C@@H]32)c1Br 2339674168 IKGKFMDZBOUXAA-CXSMTQNASA-N 454.984 5.000 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CCCC[C@@H]1CCBr 2340054299 LEUACEFTKIUHHZ-LLVKDONJSA-N 456.549 4.724 50 10 JJGE COc1cc(OC)c(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 12577486 ZQKXUBWMHXNQOE-VQGIZBIESA-N 476.154 4.691 50 10 JJGE C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 14665791 FMKROBKAPDQISD-KBPBESRZSA-N 453.366 4.673 50 10 JJGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)OC)cc2OC)cc1OC 33378108 HXFVIKIMEASKOQ-VWDAIKGWSA-N 479.529 4.972 50 10 JJGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)N2CCCCC2)c1 35549817 CZAMNXZTOARCCN-CAPFRKAQSA-N 456.546 4.838 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)c1 38650212 AVAFCCLJVXFRPJ-SANMLTNESA-N 456.498 4.515 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1cccc2ccccc12 38657784 WGEJDZVEYZREDV-MHZLTWQESA-N 493.475 4.951 50 10 JJGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)cc1 38678552 TYYAQLSSZMHYES-XMMPIXPASA-N 491.341 4.960 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)cc1 38685890 RIUDGSJDUSTKLL-VWLOTQADSA-N 456.498 4.921 50 10 JJGE O=C(NNc1ncnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1ccccc1Br 40607724 NZEACHLELVMJRA-UHFFFAOYSA-N 480.731 4.709 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1 58892779 AKAWZGXFTFSQES-WMPMWDHYSA-N 470.909 4.661 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1 59156852 XYEALBDPNAPDLJ-DHRITJCHSA-N 493.368 4.599 50 10 JJGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)NC)cc1 101240441 PLSLVURMELPMNR-WDUNQMNWSA-N 460.386 4.728 50 10 JJGE O=C(NNc1ccccc1C(F)(F)F)c1nnn(-c2ccc(Br)cc2)c1C1CC1 109761336 YUONQLXMQQNFLI-UHFFFAOYSA-N 466.261 4.683 50 10 JJGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3s2)cc1OC(=O)c1ccccc1 254622968 NXHKPHNRFFOEQF-UHFFFAOYSA-N 477.567 4.767 50 10 JJGE CCOc1ccc(C=NNC(=O)CC(=O)NN=Cc2ccc(OCC)c3ccccc23)c2ccccc12 254736518 CRRQRVZKEKLALJ-UHFFFAOYSA-N 496.567 4.781 50 10 JJGE CC(=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccc(O)cc1 254824665 OENGLKKWRBQDKB-UHFFFAOYSA-N 471.586 4.889 50 10 JJGE ClCCc1nc2ccncc2n1-c1ccc(Br)c(I)c1 380739432 LUBBOFPTVWBELD-UHFFFAOYSA-N 462.516 4.569 50 10 JJGE CC(C)(C)C[C@@H](CBr)NS(=O)(=O)c1cc(Cl)c(Br)s1 393453190 AHZSUGGRYLMTEZ-ZETCQYMHSA-N 453.649 4.642 50 10 JJGE FC(F)(F)Oc1cc(I)c(Br)cc1CBr 575691501 LQCHJOHSQJOXJZ-UHFFFAOYSA-N 459.825 4.847 50 10 JJGE CN(CCCCCBr)C(=O)c1ccc(I)c(Br)c1 721608190 FBLLPEIQEJMNAT-UHFFFAOYSA-N 488.989 4.691 50 10 JJGE N#Cc1cncc(COc2c(Br)cc(Br)cc2CBr)c1 721613562 XLNLYBLABJIYMG-UHFFFAOYSA-N 460.951 4.952 50 10 JJGE Cc1cc(O[C@@H](C)C(=O)NN=Cc2cc(Br)c(O)c(Br)c2)ccc1Cl 725274246 HHELRUVZYHQKGL-JTQLQIEISA-N 490.579 4.797 50 10 JJGE Cc1nc(-c2ccc(CNC(=O)/C(C#N)=C\c3cc(C)n(C[C@H]4CCCO4)c3C)cc2)cs1 746055613 WSBZINVVENZKCS-YBFHISRDSA-N 460.603 4.939 50 10 JJGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 1084023645 PKHJSJHRAABZSR-UHFFFAOYSA-N 479.536 4.933 50 10 JJGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccccn1 1865693925 RYUGIMPHCALCFF-HSZRJFAPSA-N 479.540 4.950 50 10 JJGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)c1cncc(Br)c1 1865759355 WGSQJOMPZJVMCL-UHFFFAOYSA-N 480.149 4.596 50 10 JJGE Cn1ncc([C@H](Cl)c2sc(Br)cc2Br)c1I 1922892289 REUKCQSCVINHAH-ZETCQYMHSA-N 496.393 4.939 50 10 JJGE C[C@H](Br)[C@@H](NC(=O)c1cc(Br)c(Br)s1)C(F)(F)F 2074715219 DSQVQZWZWRRCMC-BBIVZNJYSA-N 473.934 4.717 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CCC[C@@H](CCBr)C1 2094088448 LETSEABQPKBAED-JTQLQIEISA-N 454.000 4.849 50 10 JJGE CC(C)(C)OC(=O)N[C@H](C[S@@](C)(=O)=NC[C@@H](CBr)C1CCC1)C(C)(C)C 2106787717 JYUCBDGFJDPWEL-KVUUWBKYSA-N 453.487 4.835 50 10 JJGE F[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1cc(Cl)ccc1I 2134110192 FSNLAQZFOWFZSQ-WVWOOGAGSA-N 458.540 4.783 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CCC([C@@H](F)CBr)CC1 2163246427 QAUMLSQHTNTONW-LBPRGKRZSA-N 474.539 4.530 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@H](Br)C2(CCCC2)C1 2174368461 LJOPONHUYYCTQW-ZDUSSCGKSA-N 466.011 4.991 50 10 JJGE COCCN1C[C@@H](Cl)[C@@H](c2sc(Br)c(Br)c2Br)C1 2222446940 CRFOVWJAIITDTQ-NKWVEPMBSA-N 482.463 4.689 50 10 JJGE C[C@@]1(CBr)C=CCCN1C(=O)c1cc(Br)c(Br)s1 2253433563 DPYQKUGJFRCZFR-LBPRGKRZSA-N 458.013 4.829 50 10 JJGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NC2CCCCC2)c1C 2296543536 KZMXMZHAYKMLFB-UHFFFAOYSA-N 456.546 4.768 50 10 JJGE O=C1NC(=S)N(c2cccc3ccccc23)C(=O)C1=Cc1ccc2c(c1)CCN2CCCCl 2296937107 QDVPCSINLKLNET-UHFFFAOYSA-N 476.001 4.663 50 10 JJGE COc1ccc(CCN2C(=O)C(=CNc3cc(Cl)ccc3Cl)C(C)=C(C#N)C2=O)cc1 2314579454 TZSYJEROZVYUTF-UHFFFAOYSA-N 456.329 4.749 50 10 JJGE CCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)cc1 2314754890 GPYLMEGJYJSOCN-UHFFFAOYSA-N 481.508 4.804 50 10 JJGE C[C@@H](NC(=O)C(C#N)=CNCCc1ccccc1Br)C12CC3CC(CC(C3)C1)C2 2318467967 IHYDPTFMWACSRK-NXTQRVMMSA-N 456.428 4.710 50 10 JJGE FC1(F)[C@@H]2CC[C@@H]([C@@H](Br)c3cc(I)cc4c3OCC4)[C@@H]21 2354351810 ONLFPLBEHFCXRU-FOUMNBMASA-N 455.080 4.953 50 10 JJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)cc1 12578919 BKMQYPQEKWTLRG-UHFFFAOYSA-N 463.537 4.840 50 10 JJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2[C@H](C)CC)cc1 14029059 JITFIXQSRWWGQD-LJQANCHMSA-N 485.650 4.874 50 10 JJGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1 14652611 CXFOHAVKEDCZPW-UHFFFAOYSA-N 453.336 4.980 50 10 JJGE COc1cccc(OCC(=O)N/N=C/c2cccc(OC)c2OCc2c(F)cccc2Cl)c1 20274497 QFJYHFOUUGZSSE-UVHMKAGCSA-N 472.900 4.604 50 10 JJGE O=[N+]([O-])c1ccc(OC[C@@H](Br)[C@@H](Br)c2cccc([N+](=O)[O-])c2)cc1 33353117 NQBPCVDHXBOJGT-CABCVRRESA-N 460.078 4.782 50 10 JJGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 33733433 DUZCEAOYFFRVIR-QPQMVVSWSA-N 475.520 4.707 50 10 JJGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)C(c1ccccc1)c1ccccc1)[C@@H]2Br 35548467 RXLDNHAVEWDMFJ-HUVFLSCGSA-N 455.396 4.556 50 10 JJGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccccc2OC)cc1 39858660 NBRSZBWHTWOOGX-SILNSSARSA-N 480.524 4.912 50 10 JJGE Cc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccccc2C)nc2c(C)cccn2c1=O 39858897 GVXPCBFWBSWQSV-HKWRFOASSA-N 450.498 4.958 50 10 JJGE COc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccc(C)cc2)cc1 59500453 YAGUPJWLDVELQB-QFEZKATASA-N 467.319 4.749 50 10 JJGE Cn1c(=O)n(C)c2cc([C@@H](Br)c3ccc(Cl)s3)c(Br)cc21 109883623 SAGKIJMQGATYLN-CYBMUJFWSA-N 450.583 4.839 50 10 JJGE O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1cc(-c2ccccc2)nc(O)n1 169923097 DULLUFNFVDFHEY-JFLMPSFJSA-N 458.905 4.846 50 10 JJGE CC(C)(C)c1ccccc1OCC(=O)Oc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1 206734318 FJORVUNXEORHET-HKWRFOASSA-N 458.514 4.785 50 10 JJGE CCC(=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc(O)cc1 263628398 PCJPJSPFQADDOH-UHFFFAOYSA-N 457.559 4.663 50 10 JJGE CC1(C)CN(C(=O)c2cc(Br)ccc2I)CC[C@@H]1Cl 394057534 UZPUNDXYOMFFRO-LBPRGKRZSA-N 456.549 4.533 50 10 JJGE O=C(CBr)c1cc(C(F)(F)F)c(I)cc1C(F)(F)F 575340687 WMCIJSDAQLEZES-UHFFFAOYSA-N 460.937 4.906 50 10 JJGE BrCc1cc(Br)c(I)cc1Br 575693875 GZSPNFHRNMIGDU-UHFFFAOYSA-N 454.725 4.711 50 10 JJGE CC(C)(C)OC(=O)NCCN1CCN[C@@H](c2cccc(CCO[Si](C)(C)C(C)(C)C)c2)C1 616603867 RNLRQZLZGBBEQK-JOCHJYFZSA-N 463.739 4.722 50 10 JJGE CC(C)N(C[C@H](C)Br)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 691371214 IRDDMVRAJQLMNI-QMMMGPOBSA-N 468.038 4.938 50 10 JJGE C[C@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@@]1(C)CBr 694662545 APGUKEYDZUFIGX-JVXZTZIISA-N 460.029 4.766 50 10 JJGE COc1ccc(CCOC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 782092246 DJOVEFGVIHUWDI-HKWRFOASSA-N 460.921 4.819 50 10 JJGE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)cc2OC)c1 915843207 AMKLSBUUDKNGLS-WQFTWXBESA-N 486.524 4.716 50 10 JJGE O=C(COc1ccccc1)NN=Cc1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 1083901389 FIDZFGMOKGBWJF-UHFFFAOYSA-N 464.528 4.885 50 10 JJGE C=CCOc1cccc(C=NNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)c1 1084561248 BEONIKCSMGWKAL-UHFFFAOYSA-N 491.613 4.522 50 10 JJGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(OCCC)cc2OCc2ccccc2)c1 1637294944 GJYAMVDHYYUGCR-UHFFFAOYSA-N 459.571 4.667 50 10 JJGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1cccc(Br)c1 1865683216 AOBRFVFWJRQHNI-GOSISDBHSA-N 451.324 4.559 50 10 JJGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1cccc(Cl)c1 1865692478 GJHDXYWUBJXLGG-FQEVSTJZSA-N 450.926 4.714 50 10 JJGE O=C(Nc1c(Br)cc(Br)cc1Br)[C@@H]1C[C@H]1Br 1897151011 ROQYGHAPGVADRU-PHDIDXHHSA-N 476.788 4.696 50 10 JJGE Cc1cc2nc(CCl)n(-c3ccc(I)cc3Br)c2cn1 1917618326 GWVYTVUEMUYBTH-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE O=S1(=O)CCC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923038723 KIDIBKVBFWXXSH-XINAWCOVSA-N 487.460 4.940 50 10 JJGE O=S(=O)(c1ccc(CBr)cc1Br)N(Cc1ccccc1)CC(F)F 2009658110 JSULGRSWABXJIS-UHFFFAOYSA-N 483.172 4.800 50 10 JJGE CC[C@@H]1CN(C(=O)c2cc(Br)c(Br)s2)C[C@@H]1CBr 2084899293 MUELJMSJJOKMLL-SFYZADRCSA-N 460.029 4.766 50 10 JJGE CO[C@]1(CBr)CCCN(Cc2c(Br)cccc2Br)C1 2094088013 GPARAFLXUONFNW-AWEZNQCLSA-N 456.016 4.588 50 10 JJGE CC[C@H]1CN(CC2(CBr)CCOCC2)[C@H](CC)CN1C(=O)OCc1ccccc1 2106707804 SCYYLYJBLQGEOS-RTWAWAEBSA-N 467.448 4.690 50 10 JJGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1cc(Br)cc(F)c1CCl 2114261191 NDZFJNXRLMMYFM-UHFFFAOYSA-N 476.733 4.742 50 10 JJGE C[C@@H](Cl)C[C@@H]1CCCN1C(=O)c1ccc(Br)cc1I 2142281676 SUXKKNSYANLLQA-KOLCDFICSA-N 456.549 4.676 50 10 JJGE Br[C@@H](C[C@@H]1CCCOCC1)c1cc(I)cc2c1OCC2 2145485204 WJXGYCMCDRZDGO-ABAIWWIYSA-N 451.142 4.869 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CC2(CCC2)C[C@H]1CBr 2151514982 BWYKNDYJJFLJDL-NSHDSACASA-N 468.560 4.724 50 10 JJGE CC[C@H](Br)[C@H]1CCCCN1C(=O)c1ccc(F)cc1I 2170617773 XTJKPRLAPJGGLG-GXTWGEPZSA-N 454.121 4.599 50 10 JJGE CC1(C)[C@@H](Br)CCCN1S(=O)(=O)c1cc(Br)ccc1Br 2196913931 IKBFSAOTHIOEOP-LBPRGKRZSA-N 490.055 4.538 50 10 JJGE Cc1cc(C(=O)N2CC(C)(C)CC[C@H]2CBr)ccc1I 2207100723 CPZMOLFICKPVOH-ZDUSSCGKSA-N 450.158 4.625 50 10 JJGE CC1(C)C[C@@](C)(CCl)CN1C(=O)c1ccc(Br)cc1I 2207264184 BYJURCKKXRJQEJ-HNNXBMFYSA-N 470.576 4.923 50 10 JJGE O=S1(=O)CCC[C@@H]([C@H](Br)c2cc(Br)c(Br)cc2F)C1 2225615342 GMXNCGXQYZODCM-KRTXAFLBSA-N 479.003 4.612 50 10 JJGE Cc1ccc(C(=O)N(C)[C@@H]2CCCCC[C@H]2Br)cc1I 2232832660 FLFGEWWWYRAPGV-UKRRQHHQSA-N 450.158 4.768 50 10 JJGE CCN(C[C@@](C)(CI)OCCc1ccc(F)cc1)C(=O)OC(C)(C)C 2263402664 RQTQPJYTBLCTCZ-LJQANCHMSA-N 465.347 4.836 50 10 JJGE C[C@]1(CBr)C=CCCN1c1ncc(C(F)(F)F)cc1I 2279064904 BFQFEIWGLDLVMH-GFCCVEGCSA-N 461.063 4.625 50 10 JJGE O=C(NC[C@@]1(CBr)C[C@@H]1C(F)(F)F)c1scc(Br)c1Cl 2279175608 LIYMPXDTFOYHEF-WKEGUHRASA-N 455.521 4.857 50 10 JJGE CCOC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 2293039094 BWSQBZKDSOLISK-SFHVURJKSA-N 475.339 4.578 50 10 JJGE Cc1cccc(C(=O)N[C@@H](CCCl)COCc2ccccc2)c1I 2303699024 FVLWZKUOUXPPON-INIZCTEOSA-N 457.739 4.544 50 10 JJGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2OC)cc1 2314634654 TWPNGYRPNRATGD-MHZLTWQESA-N 484.508 4.549 50 10 JJGE COc1ccc(Br)c(C(=O)N[C@@H](CCBr)COCc2ccccc2)c1 2320360829 NTGSJVUYSSSZEZ-HNNXBMFYSA-N 471.189 4.558 50 10 JJGE BrCc1cc(Br)cc(Br)c1OC[C@H]1C[C@@H]2C[C@@H]2CO1 2331075088 ZCFTZRDKEWTDRD-MKPLZMMCSA-N 454.984 4.910 50 10 JJGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)c2ccc(NS(C)(=O)=O)cc2)n1 2331371937 TTZAVTPBDSOJIR-UHFFFAOYSA-N 455.561 4.757 50 10 JJGE Clc1ccc(CN2C[C@@H](CBr)C3(CCC3)C2)cc1I 2337225654 OAUAKHXXMIIKNB-GFCCVEGCSA-N 454.577 4.942 50 10 JJGE BrC[C@H]1C[C@@H]2C[C@H](C1)CN(c1ncc(Br)cc1Br)C2 2343299636 JPPRLCGXACYBHM-JGPRNRPPSA-N 453.016 4.854 50 10 JJGE ClC[C@@H]1CC12CCN(Cc1ccc(I)c(Br)c1)CC2 2349836908 SMFCHPYEDZKAMX-LBPRGKRZSA-N 454.577 4.895 50 10 JJGE C[C@]1(CBr)CC(F)(F)CN1C(=O)c1ccc(Cl)cc1I 2365598996 SZGUFTCAKQDGGR-GFCCVEGCSA-N 478.502 4.579 50 10 JJGE F[C@@]12CCC[C@]1(CCl)CN(Cc1ccc(I)c(Br)c1)C2 2377313445 ITRMFXGXHOZYAI-LSDHHAIUSA-N 472.567 4.987 50 10 JJGE O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1ccc(OCCc2ccccc2)cc1 14041566 NZSWLXOFIOWBSL-UHFFFAOYSA-N 466.537 4.815 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1OC 38659439 ZHSYOSZWVMGCKZ-RUZDIDTESA-N 456.498 4.840 50 10 JJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)c1 205649648 IQJJADSFNKUWTQ-ZRUILDMBSA-N 454.482 4.541 50 10 JJGE Cc1cc(Br)c(NCC(=O)NN=C/C=C/c2ccccc2)c(Br)c1 254313346 SOKUTEVQUDSWBF-VNGWCMPGSA-N 451.162 4.747 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccccc3F)cc2OCC)cc1 254598414 WFQKUCULWCCVFP-UHFFFAOYSA-N 450.466 4.606 50 10 JJGE O=C(CNc1ccc2ccccc2c1)NN=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 254906808 FILSAUCFRDMSFQ-UHFFFAOYSA-N 468.469 4.529 50 10 JJGE Cc1cc(Br)c(C(=O)NC(C)(CBr)CBr)cc1Cl 310672190 INRLOABUIYMIHW-UHFFFAOYSA-N 462.407 4.689 50 10 JJGE Fc1cccc([C@@H](Br)c2cc(I)cc3c2OCC3)c1F 383230733 BDLHFTHVUZXCKT-CYBMUJFWSA-N 451.048 4.989 50 10 JJGE Cc1nnsc1CC(CBr)(CBr)c1cccc(Br)c1 394052910 RLJILEJUEJBDPL-UHFFFAOYSA-N 469.040 4.879 50 10 JJGE O=S(=O)(Nc1ccc(I)cc1Br)c1ccccc1CCl 394454372 MZSHTGLDYLSBAY-UHFFFAOYSA-N 486.556 4.593 50 10 JJGE CC1(C)CC[C@H](CBr)N(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 701596202 ORTHZCBIHONIPE-MRVPVSSYSA-N 465.660 4.738 50 10 JJGE CC[C@@H]1[C@H](CCl)CCN1C(=O)c1ccc(I)c(Br)c1 721575719 BQDRHLKWHZZOAK-GXFFZTMASA-N 456.549 4.533 50 10 JJGE CCc1ccc2c(COC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)cc(=O)oc2c1 761396515 FGSGXDTUATXQOL-STZFKDTASA-N 478.508 4.783 50 10 JJGE CCOc1cc(C=NNC(=O)c2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1Cl 1084401307 DEIJRCPVDBWACF-UHFFFAOYSA-N 453.882 4.990 50 10 JJGE CC(=O)N1CC[C@H](NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2ccccc21 1525998968 VTDYGYVGLYAAQM-WZLQQZPBSA-N 456.521 4.754 50 10 JJGE Cc1cc(C)c(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)c(C)c1 1858683062 YMRLEWANDJBHGF-UHFFFAOYSA-N 468.441 4.683 50 10 JJGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1 1865702131 NNTBQKKPBYEIIR-HXUWFJFHSA-N 483.494 4.964 50 10 JJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1 1865709454 VMMHMQYTAOWZNQ-HSZRJFAPSA-N 480.499 4.742 50 10 JJGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(I)ccc1O 1915131216 UPUNGOLGJBVFOH-ZDUSSCGKSA-N 488.163 4.813 50 10 JJGE O=S1(=O)C[C@@H]2[C@H]([C@@H](Br)c3c(Br)sc(Br)c3Cl)[C@@H]2C1 2054226355 JDCNYNYXKNNCKD-LPWFLVPJSA-N 499.471 4.653 50 10 JJGE CC(C)(CBr)[C@H]1CCCN1c1ncc(I)cc1Br 2069536726 ZPJVVYXEFAPJTB-LLVKDONJSA-N 488.005 4.839 50 10 JJGE C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(CCl)sc2Br)CN1Cc1ccccc1 2098610210 XOOCNRNOKSMGIM-UKRRQHHQSA-N 477.877 4.533 50 10 JJGE CN(C(=O)c1c(Br)cccc1Br)C1(CBr)CCSCC1 2171183501 JNGQXIXHLWUBNP-UHFFFAOYSA-N 486.067 4.944 50 10 JJGE O=S(=O)(c1ccc(Cl)c(CBr)c1)N1CCCN(Cc2ccccc2)CCC1 2179791038 LXXZDTHSLWHQLG-UHFFFAOYSA-N 471.848 4.522 50 10 JJGE BrC[C@@H]1C[C@@H]2OCCN(Cc3cc(Br)ccc3Br)[C@@H]2C1 2199771296 ALODGHLPRLSSMH-VQISRLSMSA-N 468.027 4.586 50 10 JJGE C[C@@H]1C[C@H](Cl)[C@@H](C)N(C(=O)c2cc(I)ccc2Br)C1 2227614328 BDSJTCIPNLIEIH-KKFJDGPESA-N 456.549 4.532 50 10 JJGE C[C@@]1(CBr)CCCN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295308394 XARONBABCJEYKN-HNNXBMFYSA-N 468.027 4.778 50 10 JJGE C[C@@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@@]1(C)CBr 2295316938 FZXQNIZFPKMBQS-MEBBXXQBSA-N 468.027 4.634 50 10 JJGE Cn1nc(Br)c(Br)c1[C@H](Cl)Cc1ncccc1Br 2316716926 CKTPASUTLPRWDM-SSDOTTSWSA-N 458.379 4.625 50 10 JJGE N#CC(=Cc1cc(Br)c(O)c(Br)c1O)S(=O)(=O)c1ccc(Cl)cc1 2331030540 FPEVIIRKLUELCV-UHFFFAOYSA-N 493.560 4.615 50 10 JJGE Cl[C@@H]1CC[C@H]2CN(Cc3ccc(I)c(Br)c3)C[C@H]2C1 2349826168 DNFGQUGGRICFFO-YNEHKIRRSA-N 454.577 4.893 50 10 JJGE Cc1ccc(C(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1Br 14653054 TWQYRSQTGYRDRT-UHFFFAOYSA-N 484.188 4.630 50 10 JJGE CCOc1cc(/C=N\NC(=O)COc2ccccc2Br)ccc1OC(=O)c1ccccc1 34983174 GGKRKCUWYNJGDG-YSMPRRRNSA-N 497.345 4.596 50 10 JJGE CCOC1=C/C(=C/NNC(=O)c2cc(-c3cccc(OC(C)C)c3)nc3ccccc23)C=CC1=O 135999689 PNDYHMWGHXJQQK-HTXNQAPBSA-N 469.541 4.867 50 10 JJGE CCC[C@@H](CCBr)CNC(=O)c1ccc(I)c(Cl)c1 227499105 VAOXSMNSWBIDRM-JTQLQIEISA-N 458.565 4.876 50 10 JJGE CCCO[C@@H]1[C@@H](Br)C[C@@H]1Oc1cc(Br)c(OC)cc1Br 233234378 JRRJMNRYLWLTTG-LEWSCRJBSA-N 472.999 4.930 50 10 JJGE C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1cccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c1 242273675 YEXSDQJWSVTYMB-JHESGUABSA-N 458.606 4.890 50 10 JJGE CC(/C=C/C=C\c1ccccc1)=NNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 252630520 VBJBUXRYMVWCGM-GEDMAIDCSA-N 479.536 4.948 50 10 JJGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)c(OC)c1 254814280 FUWKWDOFEGVEID-UHFFFAOYSA-N 481.593 4.621 50 10 JJGE COc1ccc(Cl)cc1[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CI 382689478 HQKCKHDKPWRSON-SMDDNHRTSA-N 451.732 4.734 50 10 JJGE CC[C@H](C)N(CCBr)S(=O)(=O)c1cc(Br)c(C)cc1Br 383601061 VFAPBQXGCZKFPP-JTQLQIEISA-N 492.071 4.704 50 10 JJGE C[C@H]1CCN(C(=O)c2cc(Br)c(Br)s2)C[C@H]1CBr 700414017 DMYADGUAZCMENI-JGVFFNPUSA-N 460.029 4.766 50 10 JJGE O=C(N[C@H](CBr)CC(F)(F)F)c1scc(Br)c1Br 717730500 ZPMNUMFDRGPWFR-BYPYZUCNSA-N 473.934 4.719 50 10 JJGE CCn1c(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)nc2ccccc21 818931405 APAVHMGMWVUCBO-XMHGGMMESA-N 483.963 4.710 50 10 JJGE O=C(NN=Cc1cc(Cl)cc(Cl)c1O)[C@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084436235 HVLACBITXPPOMI-OAHLLOKOSA-N 491.253 4.745 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cc([N+](=O)[O-])ccc2F)C1 1614693339 VRKRQCVRNYXUHP-WMLDXEAASA-N 484.265 4.521 50 10 JJGE CCOc1ccc(Br)cc1C=NNC(=O)COc1ccc(Br)cc1CC 1772755499 JQZODCURXDDMMH-UHFFFAOYSA-N 484.188 4.702 50 10 JJGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)cc1OC 1865690819 BUJPBJCEUGWSJZ-LJQANCHMSA-N 495.377 4.865 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)ccc1OC(C)C 1865695453 CRLWYAFGQSONPG-QHCPKHFHSA-N 464.953 4.907 50 10 JJGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(O)c([N+](=O)[O-])c2)cc1 1865714855 RQRMHFJDUIAQNQ-QFIPXVFZSA-N 465.469 4.680 50 10 JJGE Cc1cccc(CC[C@H](Br)CN2C(=O)c3ccccc3C2=O)c1Br 1905313569 FSAOFUATJOVBSW-AWEZNQCLSA-N 451.158 4.750 50 10 JJGE CS(=O)(=O)C1([C@@H](Br)c2cc(Br)c(Br)s2)CCC1 2001803802 ABKNWMZRMRMMEH-QMMMGPOBSA-N 467.042 4.676 50 10 JJGE Cc1nn(C)c(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)c1Br 2017376620 NVZIQLXQYAMMTG-HNNXBMFYSA-N 457.210 4.553 50 10 JJGE CCn1cc([C@H](Br)c2cc(Br)c(OC)s2)nc1Br 2034633889 YXZFSFUPALMHER-VIFPVBQESA-N 459.001 4.982 50 10 JJGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1ccc(Br)cc1Br 2104411131 KTLROQJDTLXZQA-DQRYNJFASA-N 451.984 4.503 50 10 JJGE CCn1cc(Br)c([C@H](Br)c2ccc(OC)cc2Br)n1 2124765312 CLCIUDIMFPAEHM-GFCCVEGCSA-N 452.972 4.921 50 10 JJGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3cc(Br)n(C)n3)c2O1 2150478610 MTMYLAJMTQSMAE-WPPNPWJKSA-N 464.983 4.753 50 10 JJGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2CCC[C@@H](Cl)[C@H]2C1 2150970596 IBTUKTJWXIWFIG-DUFXMDAXSA-N 468.560 4.533 50 10 JJGE C[C@@]1(CBr)CC(F)(F)CN1C(=O)c1cccc(Br)c1Br 2159047618 WHJPALKVEHEWKK-LBPRGKRZSA-N 475.953 4.846 50 10 JJGE CN(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(CBr)c2)C1 2179793534 VPYILOHIQUMQLE-GOSISDBHSA-N 471.848 4.520 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2184578937 VGWKGVHGEPNAHY-YHPBZONMSA-N 468.560 4.723 50 10 JJGE O=C(N[C@@H](CBr)C1CCCC1)c1ccc(Cl)c(I)c1 2268340401 BKBSOSAUNDREQD-ZDUSSCGKSA-N 456.549 4.628 50 10 JJGE CS(=O)(=O)C1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CCC1 2288357915 UUYSOHJIEPKPPK-LLVKDONJSA-N 496.993 4.893 50 10 JJGE CCCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C2CCc3cc(OC)ccc32)cc1 2296734931 BMPTZFRLWAUNCF-UHFFFAOYSA-N 483.568 4.722 50 10 JJGE N#CC(=Cc1ccc(Sc2nc3ccccc3[nH]2)o1)C(=O)N1CCN(c2ccccc2)CC1 2313568320 UQDDAPFCCFXXNO-UHFFFAOYSA-N 455.543 4.563 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1c(F)cccc1Cl 2313676784 FVXNSWAOSIFMNB-GOSISDBHSA-N 458.917 4.659 50 10 JJGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314594088 YXVVICXMOINLPA-QHCPKHFHSA-N 491.544 4.560 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@@]2(CBr)CC[C@H]1C2 2314890952 NYSIKKLCQYJFNV-MADCSZMMSA-N 458.013 4.663 50 10 JJGE O=C(N[C@H]1CC[C@@H]2C[C@]12CBr)c1cc(Br)cc(Br)c1 2331772992 OZDMZXMLAAZGEC-LJWDBELGSA-N 451.984 4.505 50 10 JJGE CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@H]32)C1 2333224391 CSKDQVBRIWZGLL-LQPCMESDSA-N 456.364 4.865 50 10 JJGE CC1([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)CS(=O)(=O)C1 2337098099 PAIISBHPIAHXDB-JTQLQIEISA-N 454.970 4.719 50 10 JJGE CC(C)[C@@H]1C[C@@H](Br)CN1C(=O)c1ccc(Br)cc1Br 2344615743 VJJZJWHPFIIGKI-MFKMUULPSA-N 454.000 4.846 50 10 JJGE CN(C[C@@H](Br)C1CCCC1)C(=O)c1ccc(Cl)cc1I 2365581999 LSGDFQZAFWAHSF-CYBMUJFWSA-N 470.576 4.970 50 10 JJGE C[C@]12C[C@H](C1)[C@@H](CO[C@@H](CI)c1ccccc1Br)CO2 2366743853 HCIKTWXVTKHDHQ-GVAFMPQTSA-N 451.142 4.757 50 10 JJGE CC(C)[C@@H]1C[C@@H](Br)CN1c1ncc(C(F)(F)F)cc1I 2370877545 QKWAOQAOLJWLLG-KOLCDFICSA-N 463.079 4.703 50 10 JJGE O=C(NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(NC(=O)c2ccccc2)cc1 13982226 HXJNPUSELYDCNU-UHFFFAOYSA-N 494.576 4.555 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)c1OC 38658873 PAVXQGDUAWXIJO-VWLOTQADSA-N 486.524 4.928 50 10 JJGE COc1ccc(Cl)cc1Nc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1N 40702504 BTXZTEVUUXMKMJ-UHFFFAOYSA-N 453.717 4.528 50 10 JJGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Nc1ccc(Cl)cc1Cl 40783280 JRJZVFJPEVLCMF-UHFFFAOYSA-N 468.142 4.629 50 10 JJGE O=S(=O)(NCC1(CCBr)CC1)c1c(Cl)cc(Br)cc1Cl 97908273 AWCQLVIEXNWGIQ-UHFFFAOYSA-N 466.022 4.599 50 10 JJGE O=C1NCCc2ccc([C@H](Br)c3cc(Br)ccc3Br)cc21 161106458 LAMUZOGEKQEHFP-HNNXBMFYSA-N 473.990 4.982 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCCC)cc2)c(OC)c1 207118373 VZRBLKFTRCCAFC-IGUHNSGRSA-N 462.546 4.926 50 10 JJGE CCCCNC(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 256019073 JFXXETFENIQZAT-BIGNPOOSSA-N 460.048 4.589 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OC 725407233 AVIYFHCBRQXSHL-OQLLNIDSSA-N 462.287 4.553 50 10 JJGE C=CCN(c1ccc(C(=O)NN=C(C)CCc2ccccc2)cc1)S(=O)(=O)c1ccccc1 1084054995 MQYHTQRPJBWSID-UHFFFAOYSA-N 461.587 4.806 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cccc(O)c1)C(C#N)=C(N)O2 1865681231 IFOICSPRXGXRKA-LJQANCHMSA-N 451.324 4.511 50 10 JJGE CCCc1nn(CC)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865696059 WSKHFOPFCWGIJG-XMMPIXPASA-N 458.562 4.970 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)ccc1O 1865706148 OZCMWNQAFKJMRL-HSZRJFAPSA-N 450.498 4.780 50 10 JJGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)c1 1873921117 VZJWGZRVYUVLGU-DJUDNFEDSA-N 461.543 4.669 50 10 JJGE C[C@@H]1CC[C@@](CBr)(NC(=O)c2cccc(Br)c2Br)C1 1880900673 RGUJIZNWRSYRGS-YMTOWFKASA-N 454.000 4.895 50 10 JJGE CC[C@H](N)Cc1cc(Br)c(OC[C@@H]2C[C@@H]2Br)c(Br)c1 1887907655 IFACXYNAXRBWKJ-DCAQKATOSA-N 456.016 4.654 50 10 JJGE Cc1cccc(C(=O)NC[C@H]2CC[C@H](CBr)CC2)c1I 1922701621 QROXQHCQJYPLDC-JOCQHMNTSA-N 450.158 4.531 50 10 JJGE CC(C)(C)[C@@H](CCl)CNC(=O)c1cc(I)ccc1Br 2090193802 GZZVKKFSBFAYAI-VIFPVBQESA-N 458.565 4.685 50 10 JJGE CN(CCN(Cc1ccccc1)Cc1c(C(=O)NN)sc2ccccc12)Cc1ccccc1 2095950820 WFMAUNVRAAJJQO-UHFFFAOYSA-N 458.631 4.639 50 10 JJGE COc1ccc([C@@H](Br)c2c(Br)nn(C)c2C)cc1Br 2131590358 OHWPKVLJRAVGKM-GFCCVEGCSA-N 452.972 4.746 50 10 JJGE CC[C@H](C)[C@H](CI)NC(=O)c1cc(Cl)c(C)c(Br)c1 2136494892 UQFUNFMTPJKNIA-SDBXPKJASA-N 458.565 4.990 50 10 JJGE CC[C@H]1CN(C(=O)c2cccc(Br)c2Br)C[C@H]1CBr 2140786354 PHBSIPYWTQXRDY-VHSXEESVSA-N 454.000 4.705 50 10 JJGE FC(F)(F)c1cnc(N2[C@H]3CC[C@@H]2C[C@@H](Br)C3)c(I)c1 2154911575 PDENRNWEHFCYTC-OWUUHHOZSA-N 461.063 4.600 50 10 JJGE Cc1cc(C)c(S(=O)(=O)N(C)[C@H]2CC[C@H]2OCc2ccccc2)cc1CBr 2179859408 DCCJFPXGFHGMDP-VQTJNVASSA-N 452.414 4.567 50 10 JJGE C[C@@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)ccc1Cl 2197752614 AHNCPXMWOKNIOQ-FQEVSTJZSA-N 472.832 4.995 50 10 JJGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 2235952725 RUOOTDOPYQLVJL-HNNXBMFYSA-N 466.319 4.950 50 10 JJGE BrC[C@@]12CCCO[C@H]1CN(Cc1c(Br)cccc1Br)C2 2239163855 RDTGIMDLTDCQRT-LSDHHAIUSA-N 468.027 4.588 50 10 JJGE COc1cc(C=C(C#N)c2nn(-c3ccccc3)c(-n3cccc3)c2C#N)cc(OC)c1OC 2297562255 DEPONRWPBNMEAZ-UHFFFAOYSA-N 451.486 4.625 50 10 JJGE CCCOc1ccccc1C=NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 2323651888 QAFASQVNRZSSAM-UHFFFAOYSA-N 458.345 4.756 50 10 JJGE N#CC(=CNc1ccc(I)cc1)C(=O)Nc1ccccc1C(F)(F)F 2324305410 XDUHYEJFTLNZLA-UHFFFAOYSA-N 457.193 4.768 50 10 JJGE CC(C)N1C[C@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 2325227246 YIIYLGDPHWDHAJ-YPMHNXCESA-N 487.017 4.700 50 10 JJGE Cc1cc(=O)oc2cc(OCC(=O)NN=Cc3cccc(OCc4cccc(Cl)c4)c3)ccc12 2328792000 SBHMUBSVUWCHSH-UHFFFAOYSA-N 476.916 4.863 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1[C@H]2CC[C@@H]1C[C@H]2CBr 2330468657 SGOYMJATUXQIRW-PLMOITTCSA-N 451.984 4.600 50 10 JJGE N#CC(=C(O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2c[nH]c3ccccc23)cs1 2331349197 ZKCYVNLFCXUCIO-UHFFFAOYSA-N 473.514 4.986 50 10 JJGE COc1ccc([C@H](Br)c2c(Br)c(Br)nn2C)c(F)c1 2338722232 KWXFFRVLMZKOFB-VIFPVBQESA-N 456.935 4.577 50 10 JJGE Cn1cc(I)c(COc2c(Br)cc(Cl)cc2CCl)n1 2341858446 BUFYWVXEHHQSSI-UHFFFAOYSA-N 475.939 4.758 50 10 JJGE FC1(F)CCN(Cc2cc(I)ccc2Cl)C[C@H]1CBr 2352418215 RXNDBCBNPQZUAB-SNVBAGLBSA-N 464.519 4.797 50 10 JJGE CC[C@]1(C)[C@@H](Br)CCN1c1ncc(C(F)(F)F)cc1I 2361986749 HYCVJNURKBGOGQ-CMPLNLGQSA-N 463.079 4.847 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CC[C@]2(CCC[C@@H]2Br)C1 2365593529 USQHYMMSJQBHEU-DZGCQCFKSA-N 468.560 4.724 50 10 JJGE FC(F)(F)[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@@H]1CCl 2377329563 AMXGLXLYZCVYIK-VHSXEESVSA-N 482.509 4.903 50 10 JJGE O=C(N[C@H]1C[C@H](CBr)C12CCC2)c1ccc(Cl)c(I)c1 2379722389 YFRARWCTFLLTQG-MFKMUULPSA-N 468.560 4.628 50 10 JJGE CN(C)c1ccc(NC(=O)CCCCl)cc1CN(C[C@H]1CCCO1)C(=O)CC(C)(C)C 34921688 LSXCNRKEEUHDIH-HXUWFJFHSA-N 452.039 4.654 50 10 JJGE CCC(=O)N1CCN(C(=O)/C(C#N)=C2\SC=C(c3ccc(F)cc3)N2c2cccc(Cl)c2)CC1 37441420 LXMHGQDQYCCBSU-DAFNUICNSA-N 496.995 4.847 50 10 JJGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc21 38650100 LPPYQDMWGJMSOC-DEOSSOPVSA-N 462.889 4.551 50 10 JJGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1 38682330 CGXPLXKWRHHUPN-QFIPXVFZSA-N 459.483 4.754 50 10 JJGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)c1 38684867 ZVYZMRKUTOAIMI-AREMUKBSSA-N 456.498 4.596 50 10 JJGE N#C/C(=C\c1cc(Br)c(N2CCCC2)o1)C(=O)Nc1ccc(Br)cc1 59248858 JBSKQCYPORABMO-FMIVXFBMSA-N 465.145 4.950 50 10 JJGE O=C(c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1)c1ccc2c(c1)C(=O)OC2=O 105684782 SCZWWMPGOZYWCY-UHFFFAOYSA-N 461.473 4.999 50 10 JJGE O=C(NC[C@@H]1CCC[C@H](Br)C1)c1ccc(Br)cc1Br 227754666 HQZAFJHORIOMEQ-ZJUUUORDSA-N 454.000 4.895 50 10 JJGE CCN(C[C@@](C)(CI)OCCCC(F)(F)F)C(=O)OC(C)(C)C 231319120 IPWONTUSCDKTMW-CQSZACIVSA-N 453.283 4.796 50 10 JJGE Cc1cccc(OCC(=O)N[C@H](C)C(=O)NN=Cc2ccc(OCc3c(C)cc(C)cc3C)cc2)c1 252602124 FFTKZWOSYRXSJV-HSZRJFAPSA-N 487.600 4.533 50 10 JJGE Cc1ccc(OCC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)c(Br)c1 252637676 XVTXSUYBJIXTGJ-UHFFFAOYSA-N 453.336 4.866 50 10 JJGE CCN(CC)CN1C(=O)C(=NNC(=O)c2ccc(Cl)cc2Cl)c2cc(Br)ccc21 254736152 HHJOPWDRWLTZJF-UHFFFAOYSA-N 498.208 4.536 50 10 JJGE CC(=NNC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1)c1ccc([N+](=O)[O-])cc1 254797290 KNPXHNRTWJFSLX-UHFFFAOYSA-N 455.474 4.718 50 10 JJGE Cc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)c([N+](=O)[O-])c1 254868589 ORFXOZPOEBFHSZ-UHFFFAOYSA-N 483.480 4.805 50 10 JJGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(Cl)ccc1I 686174556 CJOAGGHAFWNXQI-ZJIMWXPPSA-N 468.560 4.721 50 10 JJGE C[C@@H]1CN(C(=O)c2scc(Br)c2Br)C[C@@]1(C)CBr 705447176 FRSFLRYKAOKERT-JMCQJSRRSA-N 460.029 4.766 50 10 JJGE Cc1cn(C)nc1COc1c(Br)cc(Br)cc1CBr 723994599 SQRLTJOXXJIVCB-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE O=C(NN=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1ccc(Cl)cc1Cl 1083948428 LRXPGFUZSBWUQW-UHFFFAOYSA-N 469.284 4.583 50 10 JJGE CCOc1cc(C=NNC(=O)c2ccccc2NC(=O)c2ccco2)ccc1OC(=O)c1ccccc1 1084243932 YXSHNXWXZYFOCG-UHFFFAOYSA-N 497.507 4.914 50 10 JJGE Cc1c(Cl)cccc1NC(=O)COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F 1858681398 CQWDPTOKPPJCLR-UHFFFAOYSA-N 474.832 4.719 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1865680160 ADTGTLYABBTGQM-JOCHJYFZSA-N 470.916 4.881 50 10 JJGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865695837 HWEXEOKDMWNLNC-LJQANCHMSA-N 485.769 4.833 50 10 JJGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865705903 JAYOFJNJOGMMNW-QHCPKHFHSA-N 479.496 4.983 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc(Cl)c1O 1865706925 IYNBVRSHQDZQMQ-MRXNPFEDSA-N 494.832 4.675 50 10 JJGE CCN(CC)c1ccc(C=C2CCC(C=NNC(=O)NC3CCCCC3)=C2N2CCOCC2)cc1 2053611014 CYLQYVAJQKKGMX-UHFFFAOYSA-N 479.669 4.914 50 10 JJGE Fc1ccccc1Cn1nc(CBr)c(I)c1C(F)(F)F 2079245758 MWQYQAMZFMLCPN-UHFFFAOYSA-N 463.010 4.589 50 10 JJGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cnn(C)c1I 2089733007 OXWCYAPNCCMODV-GFCCVEGCSA-N 499.972 4.589 50 10 JJGE ClCc1nc2cc(I)ccc2n1CCc1cnn(Cc2ccccc2)c1 2090083735 WBLRZDNAEDAEDV-UHFFFAOYSA-N 476.749 4.867 50 10 JJGE CC(C)(C)N1C[C@@H](Br)[C@H](Cc2cc(Cl)ccc2I)C1 2100724478 WNCRHOVKYXXDJQ-DGCLKSJQSA-N 456.593 4.981 50 10 JJGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2I)[C@H](C)C[C@H]1Cl 2142279825 VPEBTCMRQLLPOH-KBVBSXBZSA-N 456.549 4.532 50 10 JJGE CCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(CCl)sc1Br 2143614298 KLOMLMJRJQAHDY-UHFFFAOYSA-N 491.904 4.925 50 10 JJGE O=C(NC[C@]1(CBr)CC12CCC2)c1cc(Cl)ccc1I 2154204042 NFXMOVRBXNMOCP-OAHLLOKOSA-N 468.560 4.630 50 10 JJGE C[C@]1(CBr)CC(F)(F)CN1C(=O)c1cccc(Br)c1Br 2159047617 WHJPALKVEHEWKK-GFCCVEGCSA-N 475.953 4.846 50 10 JJGE CCc1ccc(S(=O)(=O)N2CCC[C@H](OCc3ccccc3)C2)cc1CBr 2186381062 MUHBGNCGFKUWLK-FQEVSTJZSA-N 452.414 4.514 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1CCC[C@H](CBr)C1 2295314904 FDHLWXIYNANDGI-IINYFYTJSA-N 468.027 4.824 50 10 JJGE CC[C@@H](N)Cc1cc(Br)cc(Br)c1OC[C@@H]1C[C@@H]1Br 2332469900 LRDKJOKBWLUMMU-WCQGTBRESA-N 456.016 4.654 50 10 JJGE Clc1ccc(CN2C[C@H]3CCC[C@]3(CBr)C2)cc1I 2337225459 MBUZPHJEXAWVIJ-DOMZBBRYSA-N 454.577 4.942 50 10 JJGE COC[C@@H](C)OC[C@H](Br)CCc1ccc(Cl)cc1I 2341041540 LFXYSESWNWFFFZ-ZYHUDNBSSA-N 461.565 4.692 50 10 JJGE Cc1scc(CN(C)S(=O)(=O)c2csc(CBr)c2)c1Br 2369748005 JMPDIDVHQHPFID-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1 33779568 JITLXYAZKPYJAQ-AWZALFRUSA-N 466.777 4.819 50 10 JJGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 38654151 MAZNYJWCWGZADO-CPJLOUKISA-N 485.496 4.748 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1OC 38659504 YCUGXMYKEHJAHQ-MHZLTWQESA-N 486.524 4.605 50 10 JJGE Cc1ccc(CNc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1 40650712 ZHFSZPKYDNPARV-UHFFFAOYSA-N 468.517 4.581 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc(C(C)C)c(C)c1 40879835 JFYBXDRLFQXJCB-UDWIEESQSA-N 450.535 4.543 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1c(C)cccc1C 40930056 VWRRNKCTYSELNE-FYJGNVAPSA-N 474.513 4.503 50 10 JJGE COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 58883022 ZCGMAEFMJMNNTF-ZMFRSBBQSA-N 472.328 4.783 50 10 JJGE O=C(N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1ccc(Cl)cc1 59146998 VJERVKZAXBXNSA-QOMWVZHYSA-N 486.728 4.923 50 10 JJGE C=CCN1C(=O)/C(=C/c2ccco2)S/C1=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 100844235 NBTZLIWKQLHNOP-FNOJTUCUSA-N 486.764 4.808 50 10 JJGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)OCC(F)(F)F)[C@@H]2Br 100935275 IUJFOSHHSAPORQ-DADVEIPYSA-N 486.948 4.778 50 10 JJGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NC2CCCCC2)c1 102684337 ZYXBZHBZFOLKAB-HKWRFOASSA-N 456.546 4.768 50 10 JJGE N#C/C(=C/c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)NC1CCCCC1 103872457 KFJCFRJLRJJSTG-PEZBUJJGSA-N 493.361 4.605 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2CCCC[C@H]2Br)cc1Br 136948857 CUAHMNPUNZGMLT-SKDRFNHKSA-N 490.055 4.504 50 10 JJGE COc1ccc(CCNC(=O)/C(C#N)=C\Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 216923386 INQDOMSQWFJAAO-OWBHPGMISA-N 457.374 4.911 50 10 JJGE O=C(NN=Cc1cccc(Oc2ccccc2)c1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 254475476 PQCXFJYAMMAKCP-UHFFFAOYSA-N 478.508 4.820 50 10 JJGE CCOc1cc2c(cc1OCC)CN(C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)CC2 914464206 FMEYKJDKWRBMNZ-HAHDFKILSA-N 495.583 4.753 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)c(-c2ccccc2)n1 918653042 BQZMRLDBQRCCCR-CAPFRKAQSA-N 486.963 4.559 50 10 JJGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1OCC(=O)O 1083966415 LQGLXXRSZBOHAY-OVCLIPMQSA-N 461.301 4.740 50 10 JJGE O=C(NN=C1C(=O)N(C/C=C\c2ccccc2)c2ccccc21)c1ccc(Br)cc1 1084316427 KNYHIDBXABODMK-SHXORBHXSA-N 460.331 4.643 50 10 JJGE CCOC(=O)c1c(NC(=O)NN=Cc2cccc(Br)c2)sc2c1CC[C@H](C)C2 1772753094 NCOVMKCJSDKLDL-LBPRGKRZSA-N 464.385 4.968 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681413 MTSJAGXSJCYGNG-QHCPKHFHSA-N 468.488 4.670 50 10 JJGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cc(C)ccc2O)cc1 1865686921 FFRBZQCQMSCTLS-QHCPKHFHSA-N 450.498 4.780 50 10 JJGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707384 VPMZHMVCUNCCOW-GOSISDBHSA-N 457.317 4.674 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865708526 APLIAMXPLZZTBT-HSZRJFAPSA-N 496.498 4.662 50 10 JJGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1C[C@H]2CC[C@H]1C[C@]2(C)NC(=O)OC(C)(C)C 1893709052 IGTQAMFGTIZDTC-BQXPFJCYSA-N 461.441 4.994 50 10 JJGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1ccc(Cl)c(F)c1Cl 1916364378 LJBFOIQTOZPKGD-ZDUSSCGKSA-N 485.202 4.733 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 1985346359 AWFTYZHFNIXNSG-HXUWFJFHSA-N 451.702 4.679 50 10 JJGE CC[C@H](C)[C@H](CI)NC(=O)c1cc(Br)c(Cl)s1 2023036007 RXJQCXDDNOPYQR-XPUUQOCRSA-N 450.567 4.744 50 10 JJGE CC(C)[C@H](Br)CCNC(=O)c1cc(I)ccc1Br 2029917968 XNQBQOUZEJHXBR-LLVKDONJSA-N 488.989 4.593 50 10 JJGE CC1(C)C[C@@H](CCl)N(C(=O)c2ccc(I)c(Br)c2)C1 2094756409 KOXTWXXHCHOGQE-JTQLQIEISA-N 456.549 4.533 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC2(CC2)C[C@H]1CBr 2099155848 XTAIDAVZEGENQS-JTQLQIEISA-N 451.984 4.601 50 10 JJGE C[C@H]1CC[C@H](CBr)N(C(=O)c2cc(Br)ccc2Br)C1 2110615368 FHBODZVEXSBYKT-GXSJLCMTSA-N 454.000 4.847 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@@H](Br)CC12CC2 2113560532 CQEUQUNUBFJNPW-SNVBAGLBSA-N 451.984 4.744 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](Cl)CC2(CCC2)C1 2151350003 UTVGZJVYSZGTPL-LLVKDONJSA-N 468.560 4.677 50 10 JJGE O=C(NC[C@]1(CCl)CC12CCC2)c1cc(I)ccc1Br 2154181484 NWQNKPQYQXNMMX-OAHLLOKOSA-N 468.560 4.583 50 10 JJGE Cc1cc(C(=O)N2CCCC[C@H]2[C@@H](C)CBr)ccc1I 2207100015 AFLAJJJWUBVUSZ-WFASDCNBSA-N 450.158 4.625 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CC[C@@H]2C[C@H](Cl)CC[C@H]21 2207260871 IPNFHXDXIRZKIJ-GLXFQSAKSA-N 468.560 4.676 50 10 JJGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 2293638371 KCMYVEADVDVJCT-UHFFFAOYSA-N 455.514 4.875 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N(CCBr)CC(F)(F)F 2295306925 CHPSPMWYAQGQOI-UHFFFAOYSA-N 481.932 4.540 50 10 JJGE N#CC(=Cc1cc2c(cc1Br)OCO2)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630296 DVIGHGWSSFMSFZ-UHFFFAOYSA-N 456.321 4.535 50 10 JJGE CCOc1c(Cl)cc(C=NNC(=O)c2cccn(Cc3cccc(C)c3)c2=O)cc1Cl 2323620102 UTKKVFUWRSLLNY-UHFFFAOYSA-N 458.345 4.674 50 10 JJGE CC(C)(CI)CN1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 2326670788 YFVXTPNHDDMZKN-KRWDZBQOSA-N 464.432 4.807 50 10 JJGE O=C(NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 12500678 VLHWTIKCCZKIBB-UHFFFAOYSA-N 451.551 4.970 50 10 JJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1 38650597 SELJGBQLODWKPG-RUZDIDTESA-N 456.498 4.921 50 10 JJGE Nc1c(NNC(=O)c2ccc(Cl)cc2)ncnc1Oc1ccc(Br)c2cccnc12 40784451 LROJXIVJXMUKBF-UHFFFAOYSA-N 485.729 4.572 50 10 JJGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccccc3Cl)c(C)c21 40813199 AEXCPAYTWAPYIJ-OVVQPSECSA-N 451.910 4.973 50 10 JJGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cccc5cccnc45)c(C)c32)cc1 40813903 CYRDUDODLPNPGE-TWKHWXDSSA-N 468.513 4.868 50 10 JJGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 40826505 JKXSJTSZDYTIIW-MTDXEUNCSA-N 455.470 4.531 50 10 JJGE C/C(=N\NC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1)c1ccc(C)cc1 59475323 FBCYEPBCODAQBY-VFCFBJKWSA-N 470.602 4.820 50 10 JJGE N#C/C(=C/NCCc1c[nH]c2ccccc12)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216505724 JNDMSELANPRREH-QYQHSDTDSA-N 489.623 4.641 50 10 JJGE CCC(CC)[C@@H](Cl)CNC(=O)c1cc(I)ccc1Br 230655060 WXCXHCIRUGKMBL-ZDUSSCGKSA-N 458.565 4.827 50 10 JJGE O=c1[nH]c2ccc([C@H](Br)c3ccc(I)c(Cl)c3)cc2[nH]1 232342957 ULPMWUDMVJDZMI-CYBMUJFWSA-N 463.500 4.599 50 10 JJGE CCO[C@@H]1[C@@H](Br)C[C@H]1Oc1c(I)cc(Cl)c2cccnc12 252859485 NJVGTZKDLUBELG-MRCXROJRSA-N 482.543 4.813 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)n2-c2ccc(C)cc2)cc1 254382908 JUIKRLRHFNPZDI-UHFFFAOYSA-N 496.596 4.975 50 10 JJGE O=C1[C@H]2C[C@@H]3[C@H](C[C@H]2[C@H]2CC[C@@H](Br)C[C@@H]12)C(=O)[C@@H]1C[C@H](Br)CC[C@H]31 256990186 YSGZBGHGHPNQLU-XCZSIQBNSA-N 458.234 4.770 50 10 JJGE O=C(NC[C@@H]1CCCC[C@H]1Br)c1scc(Br)c1Br 705408473 IFQWNLFSEHUBRU-JGVFFNPUSA-N 460.029 4.957 50 10 JJGE COc1cc(C=NNC(=O)[C@H](C)SCc2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 1084115649 DTJVWEXMENKTPQ-SFHVURJKSA-N 478.570 4.744 50 10 JJGE Cc1c(C=NNC(=O)CC[C@@H](O)c2ccccc2)c2ccccc2n1Cc1ccccc1C#N 1084490395 FJRUZSGYXJZFPG-HHHXNRCGSA-N 450.542 4.834 50 10 JJGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)CCCN3C(=O)c4ccccc4C3=O)c2)cc1 1615066815 QJMNAHWZOGBPFP-LTGZKZEYSA-N 466.493 4.741 50 10 JJGE CCOc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)ccc1O 1772754843 YBRBTVZSWYJIEC-UHFFFAOYSA-N 469.335 4.750 50 10 JJGE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C(=O)Nc1ccc(SC#N)cc1 1860745496 DSIPMEVEHAZZAY-UHFFFAOYSA-N 469.519 4.881 50 10 JJGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)cc1OC 1865696223 YOZPHLFOOJKGFF-RUZDIDTESA-N 474.561 4.985 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccc[nH]2)C(C#N)=C(N)O3)cc1 1865709348 AFLQODYFWXCUTI-NRFANRHFSA-N 457.921 4.807 50 10 JJGE COc1ccccc1-c1ccc(C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)c(C)n1 1865760400 VTWUWFHPCRUOPP-UHFFFAOYSA-N 451.526 4.659 50 10 JJGE CC(C)[C@@H](C(=O)N[C@@H](C)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866973788 GHUCFHPSWMPWOR-IFXJQAMLSA-N 460.397 4.905 50 10 JJGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c(C)c1 1872756001 QAEVRFQNTISOJO-ZZEZOPTASA-N 474.498 4.732 50 10 JJGE CCCN(CCBr)Cc1ccc(I)c(Br)c1 1904340434 ZEJGKCYNBATHAW-UHFFFAOYSA-N 460.979 4.661 50 10 JJGE CCN(C[C@](C)(CI)OC[C@@H]1C[C@H]1C1CCC1)C(=O)OC(C)(C)C 1910847105 XWQSXRZPBXWNCO-BXWFABGCSA-N 451.389 4.890 50 10 JJGE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)NC[C@H]1C[C@@H](Br)C1 2020190873 PFZYNRXVXWPSBT-KLPPZKSPSA-N 462.182 4.699 50 10 JJGE CC1(C)[C@@H](Br)CC[C@H]1NC(=O)c1scc(Br)c1Br 2086012815 UKDNKUUGPRTMGZ-JGVFFNPUSA-N 460.029 4.955 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@](=O)(=NC[C@H](CBr)C(C)(C)C)C2 2106787728 KAVGDOAIIRFMRT-QTYTWSNFSA-N 451.471 4.685 50 10 JJGE CC1(C)CC(CBr)(NC(=O)c2ccc(Br)cc2Br)C1 2107261476 VEHQXOXAAYGPRN-UHFFFAOYSA-N 454.000 4.895 50 10 JJGE CCn1nccc1CC(CBr)(CBr)c1cccc(Br)c1 2150672217 USNIQKCAQNNECA-UHFFFAOYSA-N 465.027 4.936 50 10 JJGE CCOC(=O)C12CC(CI)(C1)O[C@@H]2c1ccccc1NC(=O)OC(C)(C)C 2162150728 YPLQGTICTNGKDO-APMMTJHUSA-N 487.334 4.622 50 10 JJGE CCOC(=O)C12CC(CI)(C1)O[C@@H]2c1ccc(NC(=O)OC(C)(C)C)cc1 2162150936 ZOZKQGWOAQVZEW-APMMTJHUSA-N 487.334 4.622 50 10 JJGE CCCOc1ccc(S(=O)(=O)N(Cc2ccccc2)CC2CC2)cc1CBr 2179827273 CFDFSYYVOAUBIZ-UHFFFAOYSA-N 452.414 4.971 50 10 JJGE CC1(C)CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)c(Cl)c1 2179859666 HNFDMRXDOJENOQ-UHFFFAOYSA-N 471.848 4.520 50 10 JJGE Brc1ccccc1[C@H](CI)OC[C@H]1CC12CCOCC2 2198366682 NQMWOWWUFOCCFP-DOMZBBRYSA-N 451.142 4.759 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1c(Br)cccc1Br 2204578306 KATFKKPAUOYVFX-VDUILEQBSA-N 466.011 4.894 50 10 JJGE O=C(NC[C@]12CCC[C@]1(CCl)C2)c1cc(I)ccc1Br 2208037923 AKYYSCWDUUCTEL-HUUCEWRRSA-N 468.560 4.583 50 10 JJGE Cn1nc(Br)c([C@H](Br)c2scc(C(F)(F)F)c2Br)n1 2226987233 PMLWQJYMAVBIBE-YFKPBYRVSA-N 483.933 4.905 50 10 JJGE CC1CC(CBr)(CN=[S@@](C)(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)C1 2265306473 SFCAFVXLYGXEFF-KBPHABNJSA-N 453.487 4.835 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC2(C3CCCCC3)COC2)C1 2272934713 GYABAKLKRXNBRT-IBGZPJMESA-N 479.399 4.557 50 10 JJGE O=C(N[C@@]1(CBr)C[C@H]2CC[C@H]1C2)c1cc(Br)cc(Br)c1 2283924151 OLEWADIWUIFQNL-CCUNJIBTSA-N 466.011 4.895 50 10 JJGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C(C)=C(C#N)C1=O 2314618010 FUBXMVAMLVICNE-UHFFFAOYSA-N 488.547 4.931 50 10 JJGE Clc1ccc(CN2CCS[C@@H](CCBr)C2)cc1I 2315552905 KVNXLKFWAJOWEN-NSHDSACASA-N 460.606 4.647 50 10 JJGE FC(F)(F)[C@H]1C[C@H](Br)CCN1Cc1sccc1I 2316764819 QLZFGVDRDQMGIJ-GMSGAONNSA-N 454.093 4.643 50 10 JJGE COc1cc(C=NNC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)cc(Br)c1O 2321213025 GYQGOCZKWSYDRW-UHFFFAOYSA-N 474.742 4.951 50 10 JJGE O=C(COc1ccc(C(=O)NC2CCCCC2)cc1)NN=Cc1cccc(OCc2ccccc2)c1 2321697707 LTLRMWVSXPDXKN-UHFFFAOYSA-N 485.584 4.857 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H]2CC[C@H]1[C@H](Br)C2 2325288543 ABAQHGLIIXDIMQ-ZQARSLAVSA-N 458.013 4.661 50 10 JJGE Cc1cc(=O)oc2cc(OCC(=O)NN=Cc3ccccc3OCc3ccc(Cl)cc3)ccc12 2328804111 LGNFQVACWFMUJR-UHFFFAOYSA-N 476.916 4.863 50 10 JJGE N#CC(=C(O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331281430 WJZBQNVCUYAXIC-UHFFFAOYSA-N 468.878 4.590 50 10 JJGE CN(Cc1sccc1I)[C@@H](CBr)Cc1ccccc1 2338753785 AATKVERRGBKABJ-CYBMUJFWSA-N 450.183 4.791 50 10 JJGE CC[C@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 9873181 PMAXSAKDSSNDSX-RBUKOAKNSA-N 465.594 4.947 50 10 JJGE C=CCOc1ccc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 14766865 AXIOCXDRYDSAFB-UHFFFAOYSA-N 495.373 4.710 50 10 JJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1 38658273 CPRDBFIJSRVXNG-HHHXNRCGSA-N 468.509 4.626 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)cc1OCC 38679158 YHOZNXDVZNAHFY-QHCPKHFHSA-N 462.527 4.983 50 10 JJGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccccc4Cl)c(C)c32)c1 40822373 QDJHVFXPMKBCDL-ZXVVBBHZSA-N 451.910 4.973 50 10 JJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Cl)cc2Cl)c(OCC)c1 40867270 YKHPGQZLKXOHLV-OQLLNIDSSA-N 464.301 4.847 50 10 JJGE C=CCOc1c(Cl)cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OCC 58894937 PLNFTXXEPKWALU-YQUKCCFRSA-N 460.958 4.666 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc1 59153428 CJIGXSXSJILWOA-PTFSYIGCSA-N 468.600 4.535 50 10 JJGE Cc1ccc(C(C)(C)C)c(OCC(=O)N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)c1 206202771 KDIUYCPVBFBMNF-URGPHPNLSA-N 455.558 4.739 50 10 JJGE COc1cc(/C=C(/C#N)c2nc(-c3ccco3)cs2)ccc1OCC(=O)Nc1nccs1 214015650 VBPCXYMPGWPAIW-DHDCSXOGSA-N 464.528 4.950 50 10 JJGE CN(CCCCCBr)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 227145729 RYJOICAYNNWSJZ-UHFFFAOYSA-N 468.038 4.942 50 10 JJGE CCC(CBr)(CBr)NC(=O)c1ccc(OCc2ccccc2)cc1 379898167 GSZHNTYLMPVBKB-UHFFFAOYSA-N 455.190 4.934 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CCl)[C@@H](c2ccc(Br)cc2[N+](=O)[O-])C1 725398448 LGIRXMYIEBPCNJ-PBHICJAKSA-N 453.720 4.948 50 10 JJGE Cc1c(C(=O)COC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)oc2ccccc12 761417272 GUPZTVYRHXQWRX-XSFVSMFZSA-N 464.481 4.851 50 10 JJGE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)cc2OC)c1 915843205 AMKLSBUUDKNGLS-AIRTYWKNSA-N 486.524 4.716 50 10 JJGE C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@@H]([C@@H]2CCC[C@H]2C(=O)O)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 936069806 OJCKRNPLOZHAOU-LYSYYEAKSA-N 489.653 4.636 50 10 JJGE in-vitro Cc1ccc(NCC(=O)NN=Cc2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1C 1084273324 FIOVAVMTYDNXBG-UHFFFAOYSA-N 452.942 4.625 50 10 JJGE C=CCn1c(SCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)nnc1-c1cccnc1 1084531805 UGBCVWZLCMURIJ-UHFFFAOYSA-N 470.558 4.561 50 10 JJGE CC(=O)N1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)CC12CCCCC2 1267356472 GLWNRYLCQWJZTO-KOEQRZSOSA-N 458.606 4.703 50 10 JJGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683285 CEUHWXRPVRCIIF-HXUWFJFHSA-N 465.351 4.814 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)c1OC 1865700650 AGAZRTAACVMPKS-IBGZPJMESA-N 484.478 4.802 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1OC 1865706938 JJPYYNKIEWDLJQ-DEOSSOPVSA-N 482.515 4.973 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)c(OC)c1 1872755526 RNPHFBRIAQQHCI-NKFKGCMQSA-N 494.529 4.522 50 10 JJGE Cc1nn(C)c([C@H](Br)[C@H](C)c2ccncc2Br)c1Br 1877175269 LTHPNGFAZQIKPC-RDDDGLTNSA-N 451.988 4.888 50 10 JJGE CC1(C[S@@](C)(=O)=NCC2(CBr)CCCCC2)CN(C(=O)OC(C)(C)C)C1 1877882221 PAIVLNZCIRCWCB-AREMUKBSSA-N 451.471 4.687 50 10 JJGE C[C@@H](c1ccc(I)cc1)[C@@H](CBr)NC(=O)OC(C)(C)C 1882088184 PEHPUBDIOSRWGR-GXFFZTMASA-N 454.146 4.683 50 10 JJGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@H]1C[C@H]1Br 1888778864 MAXMEEJZJFXJSF-RTOPAQNCSA-N 471.395 4.546 50 10 JJGE CC[C@@H]1[C@@H](CBr)CCN1C(=O)c1cccc(Br)c1Br 2092328192 JFDYNPVMORJWBM-BXKDBHETSA-N 454.000 4.847 50 10 JJGE C[C@H]1CCN(C(=O)c2c(Br)cccc2Br)C[C@H]1CBr 2094094503 CMEOAQSHBZXJJJ-VHSXEESVSA-N 454.000 4.705 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H]2CCC[C@]2(CBr)C1 2103171004 GCDHAZXDROXVRT-OQPBUACISA-N 472.040 4.910 50 10 JJGE CC(C)[C@@H](Br)c1cn(Cc2cc(Cl)ccc2I)nn1 2121063812 HWSXYQLMEUGGIN-CYBMUJFWSA-N 454.537 4.676 50 10 JJGE CC(C)([C@H]1CCCO1)[C@@H](Br)c1cc(I)cc2c1OCC2 2149609333 IJORMYOWMZGACG-HIFRSBDPSA-N 451.142 4.867 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Br)C2 2190678337 LACXPPHCNJNWBZ-OQCKYNKVSA-N 469.974 4.690 50 10 JJGE O=C(NC[C@]12CCC[C@@]1(CCl)C2)c1ccc(I)c(Br)c1 2208031635 BQJXVXJTZYWNAW-LSDHHAIUSA-N 468.560 4.583 50 10 JJGE CN(C(=O)c1cc(Br)sc1Br)[C@@H](CBr)CC1CC1 2219028566 DZKNIZZGHVAOMZ-MRVPVSSYSA-N 460.029 4.909 50 10 JJGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@@H](Br)[C@H]1CC2 2229867532 GBKWQSKBTUNBQY-UFGOTCBOSA-N 498.984 4.584 50 10 JJGE Cc1ccc(I)c(C(=O)NCC2CCC(CBr)CC2)c1 2240911867 GHDQEDZFVTWBBN-UHFFFAOYSA-N 450.158 4.531 50 10 JJGE COc1ccc([C@@H](CI)OC2CCN(Cc3ccccc3)CC2)cc1 2259465594 WJOJBZOWLQWSSY-OAQYLSRUSA-N 451.348 4.853 50 10 JJGE O=C(c1sccc1I)N1CCC2(CC[C@@H](Br)C2)CC1 2272327854 VCRCYLRZFHTEDL-SNVBAGLBSA-N 454.171 4.523 50 10 JJGE N#CC(=Cc1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 2313567386 JQTSRGKWNPVKGJ-UHFFFAOYSA-N 491.551 4.854 50 10 JJGE N#CC(=Cc1cn(CCOc2ccccc2)c2ccc(Br)cc12)C(=O)NC1CC1 2313623718 ALOBQOLLCZGWGC-UHFFFAOYSA-N 450.336 4.668 50 10 JJGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(F)cc2)c1 2314532546 KVIJRPGYCIVJDY-UHFFFAOYSA-N 454.461 4.788 50 10 JJGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNCCCCc1ccccc1 2318462785 PNFMOHZMGWWGKK-UHFFFAOYSA-N 459.331 4.558 50 10 JJGE CC(C)(CI)CN1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H](C(C)(C)C)C1 2326670824 YKKJZDJWHCNGGK-JKSUJKDBSA-N 466.448 4.957 50 10 JJGE Cc1nc(Oc2cc(Br)cc(I)c2)nc(C)c1CCl 2338890663 JOGKKABCQJFZAX-UHFFFAOYSA-N 453.505 4.992 50 10 JJGE F[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1cc(I)ccc1Cl 2352432298 RASHSOOQJQJTPX-OXHZDVMGSA-N 458.540 4.783 50 10 JJGE ClC[C@H]1Cc2ccccc2CN1c1ncc(I)cc1Br 2360275436 WCTLKHKGRSXGJB-CYBMUJFWSA-N 463.544 4.619 50 10 JJGE CON=C1CCCc2c(C(=O)NNC(=O)Nc3ccc(OC(F)(F)F)cc3)sc(SC)c21 12367081 LIBJFTNKRZXHST-UHFFFAOYSA-N 488.513 4.522 50 10 JJGE O=C(NNC(=S)NC(=O)c1ccc(Cl)cc1Cl)c1ccc(OCc2ccccc2)cc1 14027993 NNUPLXIYNIOXOU-UHFFFAOYSA-N 474.369 4.522 50 10 JJGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1C(C)(C)C 14668121 XUWDWGNTSDOANX-INIZCTEOSA-N 491.426 4.865 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1 38685887 YXYKSHUTSVUTQS-HHHXNRCGSA-N 470.525 4.905 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccnc2)CCC3)c(Br)c1 40814195 HGHASWJFIAGLDS-OVVQPSECSA-N 481.350 4.777 50 10 JJGE O=C(CSc1cccc2cccnc12)N/N=C/c1ccc(OCc2nc3ccccc3[nH]2)cc1 59501656 ISQNLERVQQKCBK-RWPZCVJISA-N 467.554 4.933 50 10 JJGE COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)CCl)cc1OC 97914570 ZVXJWOCVFAKHFN-QFIPXVFZSA-N 465.015 4.523 50 10 JJGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241170 CUEAPBKFMJIRSD-UZEPBSNMSA-N 483.593 4.828 50 10 JJGE CC(=NNC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 254292892 JVEMUQBOMWWJSH-UHFFFAOYSA-N 473.558 4.934 50 10 JJGE O=C(NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12)C(=O)Nc1ccc(F)cc1 254380023 FQEVXYZYJLYZMF-UHFFFAOYSA-N 459.452 4.786 50 10 JJGE C[C@H](Br)C[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1I 311373565 SHAMTNPFMFXWGY-ONGXEEELSA-N 456.549 4.723 50 10 JJGE O=S(=O)(Nc1cc(I)ccc1Cl)c1ccc(CBr)cc1 380497965 ZFCXYFUTLSUOTJ-UHFFFAOYSA-N 486.556 4.640 50 10 JJGE CC1(C)C[C@H](Br)C[C@H](NC(=O)c2ccc(F)cc2I)C1 693899979 XUPZHWSJNOOCTM-KOLCDFICSA-N 454.121 4.502 50 10 JJGE Cc1cccc(C(=O)N2CCCC[C@H]2[C@H](C)CBr)c1I 696711026 JRGPBPCIUUIIIR-OCCSQVGLSA-N 450.158 4.625 50 10 JJGE CN(C(=O)c1ccc(I)c(Br)c1)[C@@H](CCl)C(C)(C)C 721512268 WTGGHWGOVDMWIW-LBPRGKRZSA-N 458.565 4.779 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)N2CCC(C(=O)NC3CCCCC3)CC2)c(C)n1-c1ccc(F)cc1 743710964 CSNBZNGTQOFWCT-QJOMJCCJSA-N 476.596 4.828 50 10 JJGE O=C(COc1ccc(Cl)cc1Cl)NN=C1C(=O)N(C/C=C/c2ccccc2)c2ccccc21 1084024456 VIQOZTNKUVSCOA-HVBIHEBLSA-N 480.351 4.953 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)cc1 1084347797 LPUPHUXYZQVXTC-JOCHJYFZSA-N 451.479 4.526 50 10 JJGE Cc1ccc([N+](=O)[O-])c([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1 1614636554 JVKIGYNPZJFRSB-AEFFLSMTSA-N 480.302 4.690 50 10 JJGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)c1 1633769125 LLLSKULKFFTQHR-UHFFFAOYSA-N 457.342 4.793 50 10 JJGE C=CCN1C(=O)/C(=C/c2ccco2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718730 NBTZLIWKQLHNOP-GHNOHMOLSA-N 486.764 4.808 50 10 JJGE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747638 KEOOYXNNKOUCBK-UHFFFAOYSA-N 491.419 4.531 50 10 JJGE CCCn1nc(C)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCCCc2ccccc2)c(OC)c1 1865697532 VXJKARCZLIOULD-RUZDIDTESA-N 458.562 4.840 50 10 JJGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)Cc1cn(C)c2ccccc12 1865759915 YEKZRKAKTICQDZ-UHFFFAOYSA-N 467.356 4.859 50 10 JJGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(I)ccc1F 1961216117 RKVCLMPRJZXPBF-GFCCVEGCSA-N 476.127 4.856 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 1985347359 QVUODZXEVGPFLD-ACRUOGEOSA-N 451.702 4.535 50 10 JJGE Cc1cc(Br)c(CBr)c(N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)c1 2116837720 ZSLBCAWPWKPQKF-LEWJYISDSA-N 480.244 4.742 50 10 JJGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@H]2C[C@@H]2CO1 2122885471 ZCFTZRDKEWTDRD-UISBYWKRSA-N 454.984 4.910 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CCC[C@H](CCCl)C1 2142280337 CDAYXORDKXGIMP-SNVBAGLBSA-N 456.549 4.535 50 10 JJGE Clc1cc(CN2C[C@@H]3CCC[C@@]3(CBr)C2)ccc1I 2142943209 KKAMIARHHITYQV-SWLSCSKDSA-N 454.577 4.942 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CC[C@H](Cl)C(F)(F)CC1 2150040585 VPEKTBDHFFJTHB-NSHDSACASA-N 478.502 4.532 50 10 JJGE C[C@@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)cc1Cl 2197757312 RFHNOMOQOIIRNI-FQEVSTJZSA-N 472.832 4.995 50 10 JJGE CCN(C(=O)c1ccc(Br)cc1Br)[C@H]1CCC[C@H]1Br 2224421541 NNGZHMXEILXBSO-YPMHNXCESA-N 454.000 4.990 50 10 JJGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)cc1 2296542790 RMLLOTCFBYREMT-UHFFFAOYSA-N 475.501 4.581 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccc(Cl)cc2)cc1 2313864281 HKLCWUQWTRSVKI-UHFFFAOYSA-N 459.999 4.648 50 10 JJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1 2314634719 CVSZFVJYBPPNFD-RUZDIDTESA-N 486.911 4.964 50 10 JJGE COC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc3cc(Br)ccc3o2)c(OC)c1 2314792541 RVEQOWOTZDGYML-UHFFFAOYSA-N 456.248 4.503 50 10 JJGE CC(=NNC(=O)c1ccc(-c2ccc(Cl)cc2)nc1C)c1ccc2c(c1)N(C)C(=O)[C@H](C)O2 2321260840 HEIIWOKUWHLBRN-INIZCTEOSA-N 462.937 4.608 50 10 JJGE Brc1cc(CN2C[C@@H]3CC[C@@H](Br)[C@H]3C2)ccc1I 2325208357 VQWNMVIAJCTJIF-SDDRHHMPSA-N 485.001 4.659 50 10 JJGE COc1ccc(CCNC=C(C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 2325382637 LRRNXVXVIHCNDZ-UHFFFAOYSA-N 453.848 4.554 50 10 JJGE COc1ccc(C[C@@H](Br)c2c(Br)c(Br)nn2C)cc1 2338690708 KHNZBLDDGXUXJW-SNVBAGLBSA-N 452.972 4.632 50 10 JJGE F[C@H](CBr)C1CCN(Cc2ccc(Cl)cc2I)CC1 2341005437 OGMSBQQHEXGFNJ-CYBMUJFWSA-N 460.556 4.890 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CO[C@@H]2COC[C@H]21 2365187485 AURYENWJNCMJTM-AHKPZJBNSA-N 472.974 4.757 50 10 JJGE CN(C(=O)c1ccc(Cl)cc1I)[C@H](CCBr)C(F)(F)F 2365584516 PGVQLOVIWXSZJU-SNVBAGLBSA-N 484.481 4.733 50 10 JJGE O=C(NNC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(OCCc2ccccc2)cc1 14041629 QRGPOOWLSUWHGQ-UHFFFAOYSA-N 466.537 4.962 50 10 JJGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccnc2)CCC3)cc(C)c1Cl 40814208 VFDUKRISQZNWQQ-OVVQPSECSA-N 451.910 4.943 50 10 JJGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2)cc1 40844448 OYOJUDIOTNVTCK-UHFFFAOYSA-N 491.426 4.768 50 10 JJGE COc1ccc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1[N+](=O)[O-] 40924709 NMBARHQSPPFQQL-ZVBGSRNCSA-N 462.940 4.623 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCC)c(OCC)c2)cc1 58894957 UKEAETCZIXPXRY-FXONECCMSA-N 493.398 4.609 50 10 JJGE O=C(Cn1cc(/C=N/NC(=O)c2cc3ccccc3o2)c2ccccc21)Nc1ccc(F)cc1 59304657 XQIJMRILYMQOLN-CCVNUDIWSA-N 454.461 4.929 50 10 JJGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242008 NAKILEJCOKWBRQ-FYAMCCBRSA-N 471.582 4.893 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1F 101333778 PMYIABLMTHBQMN-CIAFOILYSA-N 470.504 4.688 50 10 JJGE CC(C)CCNC(=O)/C(C#N)=C1/N=C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 102583626 DBWREDFLGVDLQT-CZIZESTLSA-N 455.345 4.581 50 10 JJGE CCCOc1c(OC)cc(/C=N\NC(=O)Cc2cc(Cl)ccc2SCC)cc1OC 169922275 JJBBSFGMFXLCGQ-OYKKKHCWSA-N 450.988 4.951 50 10 JJGE Cc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 205645679 GLVGAUPLOCJKPD-MKEUEUPWSA-N 453.454 4.740 50 10 JJGE CC(C)(C)OC(=O)N1CCC(N/C=C(/C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 217212525 FEVMUKZJEPYYCL-HNENSFHCSA-N 462.550 4.814 50 10 JJGE O=C(N[C@H]1CCCC[C@H]1CCl)c1cc(Br)ccc1I 231604374 VTFCLXTXNQGORW-ZANVPECISA-N 456.549 4.581 50 10 JJGE O=C(CCn1c2c(c3ccccc31)CCCC2)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21 254292589 WSAZLFBPTVPWBV-UHFFFAOYSA-N 476.580 4.978 50 10 JJGE C=CCc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCC)cc2)cc1 254381211 HEZVEYQKQKWHMU-UHFFFAOYSA-N 472.541 4.952 50 10 JJGE Cc1sc(Br)cc1[C@H](Br)c1cnn(C)c1I 382165503 JKMOTCJUPMNIIF-VIFPVBQESA-N 475.975 4.641 50 10 JJGE O=C1Cc2cc([C@@H](Br)c3nscc3Br)c(Br)cc2N1 404756163 BJIFJNJWEDKDPB-LLVKDONJSA-N 466.980 4.647 50 10 JJGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(Cl)ccc1I 686174555 CJOAGGHAFWNXQI-QLXFMQRKSA-N 468.560 4.721 50 10 JJGE CCOc1ccc([C@H](Br)c2c(Br)cnn2C)cc1Br 693071493 UBUVFSDDFLALIT-LBPRGKRZSA-N 452.972 4.828 50 10 JJGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C 918557620 JMBUWTCYVIIWLR-UHFFFAOYSA-N 460.412 4.688 50 10 JJGE NNC(=O)c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl 953077414 GAYXDEXZZRFJGX-UHFFFAOYSA-N 468.960 4.701 50 10 JJGE CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OC 1084339103 IEBXJRDADGMPKG-OQLLNIDSSA-N 462.287 4.553 50 10 JJGE Cc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3ccccc3Br)c2C)cc1C 1084568818 ZHYLVDDQJRWEDP-UHFFFAOYSA-N 467.367 4.562 50 10 JJGE C#Cc1cccc(NC(=S)NNC(=O)c2cccnc2Nc2ccc(Cl)c(Cl)c2)c1 1154050103 CWVVODSZHXJILU-UHFFFAOYSA-N 456.358 4.745 50 10 JJGE C#CCCCC(=O)NNC(=O)Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1 1310435112 ZKMZLFKNAFTBMV-UHFFFAOYSA-N 457.353 4.682 50 10 JJGE C=CCOc1ccc(Br)cc1NC(=O)/C(C#N)=C\c1cc(C)n(CCOC)c1C 1436641341 KCWXGOXNSGDRFP-PDGQHHTCSA-N 458.356 4.624 50 10 JJGE Cc1nn(-c2ccccc2)c2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CC(C)(C)C2 1772728301 FNXLAMUKHVHXLZ-UHFFFAOYSA-N 451.914 4.849 50 10 JJGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)c(OC)c1 1772750991 FJFYBRRHPVWPTL-UHFFFAOYSA-N 498.539 4.876 50 10 JJGE COc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccccc1F 1772760567 VFEVWPJDMSZYJC-UHFFFAOYSA-N 464.522 4.532 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)ccc1OC(C)C 1865695694 GQDRSVCNYLRYGN-JOCHJYFZSA-N 450.926 4.848 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccccn2)C(C#N)=C(N)O3)cc1 1865700639 ZWZJUNGPRODAOT-QFIPXVFZSA-N 469.932 4.874 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865706028 LZRAWWHVGXKWCK-HNNXBMFYSA-N 461.787 4.671 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865709759 GGPMWDXKHFUNOL-XMMPIXPASA-N 464.525 4.834 50 10 JJGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccccc1OCc1ccccc1C 1873795127 SMRZWJKGXNTWCK-AUEUWSLNSA-N 471.623 4.671 50 10 JJGE O=C(NC[C@H]1CCC[C@H](Br)C1)c1cccc(Br)c1Br 2092339662 GXSYIYVVVKNAST-UWVGGRQHSA-N 454.000 4.895 50 10 JJGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cc(Br)n(C)n1 2139014990 LVHSBNQNAGZOOG-GFCCVEGCSA-N 452.972 4.746 50 10 JJGE Cn1ncc(Br)c1CC(CBr)(CBr)c1ccc(F)cc1 2143635029 QMYJUIOBFWGNDO-UHFFFAOYSA-N 468.990 4.592 50 10 JJGE CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(CBr)ccc1Cl 2179792795 KUGPWSVFRFVYDO-UHFFFAOYSA-N 471.848 4.520 50 10 JJGE COC[C@@H]1CC[C@H]([C@@H](Br)c2cc(I)cc3c2OCC3)C1 2181797857 RAQGVBVWWLQJFT-JRPNMDOOSA-N 451.142 4.725 50 10 JJGE O=C(NC[C@H](Cl)c1ccccc1)c1ccc(Br)cc1I 2207269135 OZWDWSOTYQDGHM-ZDUSSCGKSA-N 464.528 4.764 50 10 JJGE COc1ccc([C@@H](Br)c2cc3c(s2)CCOC3)cc1I 2284999647 WYPOVQHPTCZKQE-OAHLLOKOSA-N 465.150 4.918 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@H](Br)C12CCC2 2295314428 XXIBRZVBIFSBIP-ZDUSSCGKSA-N 466.011 4.673 50 10 JJGE Cc1ccc(Br)c(C(=O)N[C@@H](CCBr)COCc2ccccc2)c1 2303549095 OWIUQJIFLOVQPI-INIZCTEOSA-N 455.190 4.858 50 10 JJGE C[C@H]1OCC[C@]1(CBr)Cc1ccc(I)c(Br)c1 2306232451 VANDJJXLGDBXTD-NOZJJQNGSA-N 473.974 4.786 50 10 JJGE Brc1cc(I)cnc1N1CC[C@H]2CC[C@@H](Br)[C@@H]1C2 2310757662 VBLQGOBUXHEBRO-UISBYWKRSA-N 485.989 4.591 50 10 JJGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593075 HGKPLHCEMMOALE-JOCHJYFZSA-N 493.972 4.684 50 10 JJGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(OC)cc1 2314593241 JYUVREGOIZUGFU-HXUWFJFHSA-N 488.396 4.730 50 10 JJGE COc1ccc(C=C(C#N)C(=O)N(c2ccc(OC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 2314777501 HSNAEEXGCYKTAU-UHFFFAOYSA-N 482.945 4.686 50 10 JJGE CCOC(=O)c1ccccc1NC(=O)C(C#N)=CN1CCN(C(c2ccccc2)c2ccccc2)CC1 2324426308 CJRZICHSFZVFIA-UHFFFAOYSA-N 494.595 4.616 50 10 JJGE N#CC(=CNc1ccc(I)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 2324765427 DGIOPLQGVREEJL-UHFFFAOYSA-N 471.342 4.592 50 10 JJGE CC1(C)CC[C@@H](CBr)N1C(=O)c1ccc(Cl)cc1I 2340056931 JNTHFTPYXQWRRS-JTQLQIEISA-N 456.549 4.723 50 10 JJGE COC[C@H](C)OC[C@@H](Br)CCc1cc(I)ccc1Cl 2352415989 PDEUAEOPRBNERJ-JQWIXIFHSA-N 461.565 4.692 50 10 JJGE CC(C)(C)OC(=O)N[C@@]12CCC(F)(F)C[C@@H]1CN(C[C@H](CBr)C1CCC1)C2 2370219020 AFSYNCKVMIMTHF-FRQCXROJSA-N 451.396 4.812 50 10 JJGE COc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccccc1 13921698 BQLGNHGWMOBKQJ-LGJNPRDNSA-N 472.328 4.670 50 10 JJGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1 14667938 IRFIZOVCNFWJRN-UHFFFAOYSA-N 453.336 4.978 50 10 JJGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1F 38652210 NAODPHNNMSUUEW-DEOSSOPVSA-N 464.880 4.990 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1 38701352 XMKQDBVBORSYSB-VWLOTQADSA-N 480.476 4.629 50 10 JJGE O=C(NNc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-])c1ccccc1Br 40588065 JHLGEHMRQZRCAH-UHFFFAOYSA-N 498.124 4.955 50 10 JJGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)/C=C/c2cc(Br)c(OC)c(OC)c2)c1 40944697 OBYGRHPLYHCBKB-GEALHNJRSA-N 486.318 4.555 50 10 JJGE N#C/C(=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21)c1nc(-c2ccc(Br)cc2)cs1 96835111 JPFVNAVRCYUIDZ-SAPNQHFASA-N 453.277 4.867 50 10 JJGE CCn1c(SCC(=O)NN=Cc2ccc(N(C)C)cc2)nnc1-c1ccc(C(C)(C)C)cc1 254615597 QITLWWVCNAHMND-UHFFFAOYSA-N 464.639 4.571 50 10 JJGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc4ccccc34)nc3ccccc3c2=O)cc1 254833119 IVBRAXJJYVLCKL-UHFFFAOYSA-N 494.576 4.790 50 10 JJGE Cc1ccc(F)c([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1 382682841 FECMXGMBUGIOLS-WMZOPIPTSA-N 453.295 4.921 50 10 JJGE Cc1cnc2c(c1)nc(CCl)n2-c1cc(Br)ccc1I 383418671 BNYYOQBPGQMMHA-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE O=C(Nc1cc(I)ccc1Br)[C@@H](Cl)c1ccccc1 388559918 OPHIUOWJMOVFHI-ZDUSSCGKSA-N 450.501 4.972 50 10 JJGE O=C(CBr)c1c(I)ccc(C(F)(F)F)c1C(F)(F)F 575381671 RJSQYBBBJQBQTE-UHFFFAOYSA-N 460.937 4.906 50 10 JJGE O=C(CBr)c1cc(Br)cc(C(F)(F)F)c1I 575694635 KSIIRLQYUGITQR-UHFFFAOYSA-N 471.836 4.650 50 10 JJGE C[C@H]1CN(C(=O)c2cc(Br)cc(Br)c2)C[C@H](C)C1Br 688077603 YPVWJGVQRCZVRU-IUCAKERBSA-N 454.000 4.703 50 10 JJGE CCOc1ccc([C@H](Br)c2cn(C)c(Br)n2)c(Br)c1 698451513 RCFSEWMTOWFAAW-LBPRGKRZSA-N 452.972 4.828 50 10 JJGE C=C(Cl)CSc1nc(C)c(CC(=O)NNC(=S)Nc2c(C)cccc2CC)s1 1624486937 RXEHMLOPEORHPK-UHFFFAOYSA-N 455.074 4.727 50 10 JJGE COc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743457 BMPXATKICNJBRI-UHFFFAOYSA-N 451.910 4.973 50 10 JJGE CCCCCOc1ccc(C=NNC(=O)COc2ccc(C)cc2Br)cc1OC 1772754432 HOVLIDSQDKSLLH-UHFFFAOYSA-N 463.372 4.864 50 10 JJGE Cc1ccc(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1Cl 1858686799 DLZJMMSRJIKJGN-AWEZNQCLSA-N 470.869 4.969 50 10 JJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc1 1865694312 SWJXQGMTJURGJR-DEOSSOPVSA-N 479.540 4.950 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706540 YZXPFKORHZMBRE-HSZRJFAPSA-N 479.496 4.733 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OC)cc1)C(C#N)=C(N)O2 1865714468 LHEYDRJXYQHUIG-FQEVSTJZSA-N 465.351 4.814 50 10 JJGE CC(=O)Oc1ccc(C[C@H](NC(=O)/C(C)=C/c2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866813687 FAHSKJBEVYWTAJ-DXCHCPKQSA-N 499.592 4.955 50 10 JJGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@@H](C)N(CCCOC)[C@H](C)C2)n1 1868388925 OYILTTLINZBPCW-RTBURBONSA-N 454.644 4.681 50 10 JJGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(NS(C)(=O)=O)cc3)n2)cc1 1872749521 VEXYULREWLHGNU-VZCXRCSSSA-N 455.561 4.920 50 10 JJGE Clc1ccc(I)cc1CO[C@H]1CCC[C@H]1I 1904938457 YZVDTDBHSLYNPD-NEPJUHHUSA-N 462.496 4.817 50 10 JJGE C[C@H](Br)C(C)(C)CNC(=O)c1cc(Br)ccc1I 1913837598 HZZFETMGALNGKL-QMMMGPOBSA-N 488.989 4.593 50 10 JJGE O=S(=O)(c1cc(CBr)oc1Br)N(Cc1ccccc1)CC(F)(F)F 2009622492 QXRIQGCERIBEPV-UHFFFAOYSA-N 491.123 4.690 50 10 JJGE N#CC(=Cc1ccc(-n2cccn2)cc1)S(=O)(=O)c1cc(Br)ccc1Br 2040499936 SLKNHIDJAALYJQ-UHFFFAOYSA-N 493.180 4.736 50 10 JJGE CCn1ncc(Br)c1COc1cccc(CBr)c1Br 2094302340 AWIDHUFDGQEXCP-UHFFFAOYSA-N 452.972 4.902 50 10 JJGE CC(C)(C)OC(=O)N[C@H](C[S@](C)(=O)=NC[C@@H](CBr)C1CCC1)C(C)(C)C 2106787716 JYUCBDGFJDPWEL-FBJHADKPSA-N 453.487 4.835 50 10 JJGE O=S(=O)(NC1(CCCBr)CCC1)c1cc(Cl)c(Br)s1 2140869664 CITSRYMOJJWICC-UHFFFAOYSA-N 451.633 4.540 50 10 JJGE CN(C(=O)c1ccc(I)c(Br)c1)C1(CCCl)CCC1 2140958367 HELBFIQTGPFGNC-UHFFFAOYSA-N 456.549 4.677 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1[C@H](CCl)C[C@H]2CCC[C@H]21 2164649899 XCRAOLVVELCOSP-OLUVUFQESA-N 468.560 4.676 50 10 JJGE Cc1cc(C(=O)NC[C@@H]2CCCC[C@@H](Br)C2)ccc1I 2207108090 UXHIGTBLORWJAA-TZMCWYRMSA-N 450.158 4.673 50 10 JJGE Cc1ccc(I)c(C(=O)N2CCC[C@@H](CCBr)CC2)c1 2240904701 AYTWKEAJHQNVPH-ZDUSSCGKSA-N 450.158 4.627 50 10 JJGE C[C@@]1(CNC(=O)c2c(Br)cccc2Br)CCC[C@H]1Br 2271303937 ZCTAYOVXMMGSPQ-RISCZKNCSA-N 454.000 4.895 50 10 JJGE C[C@@H](Cl)CN(C(=O)c1cc(I)ccc1Br)C(C)(C)C 2272455525 YXMBPHSRZNJJCB-SECBINFHSA-N 458.565 4.922 50 10 JJGE N#CC(=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)N1CCN(c2ccccc2)CC1 2313545716 AKPVVDAXGLKSLI-UHFFFAOYSA-N 462.893 4.764 50 10 JJGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593598 PURHSASOKJZLBT-QHCPKHFHSA-N 491.544 4.560 50 10 JJGE Cl[C@@H](c1cnsc1Br)c1cc(I)cc2c1OCC2 2315642759 YSXXTVOFBIUWKM-SNVBAGLBSA-N 456.530 4.773 50 10 JJGE O=C(NN=Cc1cccc(C(F)(F)F)c1)c1ccc(Nc2nc(O)c3ccccc3n2)cc1 2318417963 LIXFNGKGUUMZEJ-UHFFFAOYSA-N 451.408 4.862 50 10 JJGE C[C@H](NC(=O)C(C#N)=CNc1ccc(I)cc1)C12CC3CC(CC(C3)C1)C2 2324904493 UNIAYJCFMKDNGJ-HIGJEIRPSA-N 475.374 4.832 50 10 JJGE CCO[C@@H]1[C@H](Br)C[C@H]1OCc1ccc(I)c(Br)c1 2325365873 OUTVYIJNFJPYAN-RAIGVLPGSA-N 489.973 4.511 50 10 JJGE COc1cc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)cc(OC)c1OC 2331400719 MQJLQJSXYPCMJB-UHFFFAOYSA-N 491.978 4.773 50 10 JJGE CC(C)(C)OC(=O)Nc1ccc([S@](C)(=O)=NC[C@]2(CBr)CC2(F)F)cc1 2351887338 MPXJOMWQTSRPNA-DXPJPUQTSA-N 453.349 4.911 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CC[C@H]2C[C@H](Cl)CC[C@H]21 2353894509 JSFLDVBIFBFTRS-IMSIIYSGSA-N 468.560 4.676 50 10 JJGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1C(C)C 14650648 PVPSGJJBTAYGMY-UHFFFAOYSA-N 477.399 4.837 50 10 JJGE N#C/C(=C\c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)N1CCCCC1 35549903 HDQMMYCEAVJFNI-NTCAYCPXSA-N 469.328 4.713 50 10 JJGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OC)c1 38650241 GGFAKKKGNNRKIL-RUZDIDTESA-N 456.498 4.921 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)c1OC 38658852 JUTVCNWHKKUUSC-XMMPIXPASA-N 492.915 4.560 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@@H]1c1cccc(F)c1 38678426 IFTHDJGHJXANSM-NRFANRHFSA-N 465.824 4.825 50 10 JJGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1 39992915 TUVPYVWRQHNUKW-CAPFRKAQSA-N 450.498 4.903 50 10 JJGE Cc1cc(OCC(=O)N/N=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)ccc1Cl 40840342 VSBJMGKUPJELTQ-NFFVHWSESA-N 468.340 4.748 50 10 JJGE CCCC(=O)O[C@]1(C(=O)CCl)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)C(=O)C[C@@]21C 72104657 FBRAWBYQGRLCEK-RJFLZJKCSA-N 478.988 4.701 50 10 JJGE in-man Cc1cc(S(=O)(=O)Nc2cccc(CCCBr)c2)sc1Br 139455075 YLWWCIYBVJIWHP-UHFFFAOYSA-N 453.221 4.947 50 10 JJGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)c(OC)c1 206397087 KFPQAUVKVQXNNG-BAHMTSKISA-N 498.535 4.555 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCC)c(OCC)c2)cc1 207128344 CGRLDUOXNNJFEF-AKZANHIPSA-N 462.546 4.926 50 10 JJGE CCOc1ccc(CCN/C=C(/C#N)C(=O)NC(c2ccccc2)c2ccccc2)cc1OCC 216977972 DMEINESXQBZPQO-DAFNUICNSA-N 469.585 4.929 50 10 JJGE Cc1cccc(OCC(=O)N[C@@H](C)C(=O)NN=Cc2ccc(OCc3c(C)cc(C)cc3C)cc2)c1 252602127 FFTKZWOSYRXSJV-QHCPKHFHSA-N 487.600 4.533 50 10 JJGE Cc1cccc(NC(=O)Cn2cc(C=NNC(=O)COc3cccc4cccnc34)c3ccccc32)c1 254383371 VBEMIRBSJANKJO-UHFFFAOYSA-N 491.551 4.666 50 10 JJGE C=CCOc1ccc(Br)cc1C(=O)NN=Cc1ccccc1OC(=O)c1ccccc1 254868840 FAZNVCIDSWQPBB-UHFFFAOYSA-N 479.330 4.997 50 10 JJGE C[C@@H]1CC[C@@H](CBr)CN1C(=O)c1ccc(Br)cc1Br 688706297 RFLDCICKMPWBFK-ZJUUUORDSA-N 454.000 4.847 50 10 JJGE CN(C[C@H]1CCC[C@@H]1Br)C(=O)c1scc(Br)c1Br 689345818 YAPIGWDOPWOVKK-SFYZADRCSA-N 460.029 4.909 50 10 JJGE CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNC(=O)c2ccccc2Br)cs1 916247656 QICHUSKTGVOXHC-UHFFFAOYSA-N 471.380 4.971 50 10 JJGE O=C(Cc1nnc(NC(=O)c2ccccc2)s1)NN=Cc1c2ccccc2cc2ccccc12 1084120558 VZYFVBRBUBQWTH-UHFFFAOYSA-N 465.538 4.790 50 10 JJGE CC(/C=C/c1ccccc1)=NNC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 1084436982 NTJCPCUCKNVNHC-OWVQQTGESA-N 454.559 4.627 50 10 JJGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)n1 1772749761 QODVFSKIBZBACL-UHFFFAOYSA-N 494.367 4.533 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2)ccc1OCCc1ccccc1 1772753709 DMCCTTPJXXJQNU-UHFFFAOYSA-N 483.362 4.608 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)c2n[nH]c3c2CCCC3)cc1 1866853968 XSITXYPTEUKZMT-QFIPXVFZSA-N 491.642 4.532 50 10 JJGE CCC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(SC#N)cc1 1866876678 IZRNCWPFDACXMO-LEWJYISDSA-N 481.647 4.522 50 10 JJGE COc1c(Br)cc(Br)cc1/C=C(\C#N)c1nc(O)c2ccccc2n1 1872726835 PQFJTUPVRVASFR-IZZDOVSWSA-N 461.113 4.933 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@H](Br)Cc1c(Br)ccc(Cl)c1F 1905372144 SIMYJHUATFVTSF-SECBINFHSA-N 475.539 4.844 50 10 JJGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1ccc(Cl)c(F)c1Cl 1916364377 LJBFOIQTOZPKGD-CYBMUJFWSA-N 485.202 4.733 50 10 JJGE Cc1nn(CCC#N)c2c1[P@](=O)(c1ccccc1)C(=C1N(C)c3ccccc3C1(C)C)C=N2 2042453311 BOYYVOYJWHCCAD-XIFFEERXSA-N 455.502 4.774 50 10 JJGE C[C@H](NC(=O)c1scc(Br)c1Br)[C@H]1CCC[C@H]1Br 2048884726 GWUIBBKVTWMNPZ-XLPZGREQSA-N 460.029 4.955 50 10 JJGE Fc1ccc(F)c(-n2nc(CBr)c(I)c2C(F)(F)F)c1F 2079258999 QAFSKFJFLXHHBI-UHFFFAOYSA-N 484.963 4.808 50 10 JJGE CCC(CBr)(CBr)NC(=O)c1cc(C)cc(Br)c1F 2089377753 HYCULLDQPIWGFC-UHFFFAOYSA-N 459.979 4.565 50 10 JJGE CSCC[C@@H](Cl)CCNC(=O)c1ccc(I)c(Br)c1 2090385579 RPJXYYHCEWUMPA-JTQLQIEISA-N 476.605 4.534 50 10 JJGE COC[C@@H](C)OC[C@H](Br)CCc1cccc(Br)c1Br 2099444685 VCGPWPJQDKVCON-ZYHUDNBSSA-N 459.016 4.959 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CCC[C@@](F)(CBr)C1 2101308872 UKMHSCWWFLBZGR-CYBMUJFWSA-N 457.963 4.551 50 10 JJGE C[C@](CBr)(NC(=O)c1cc(Br)cc(Br)c1)C(F)(F)F 2105103179 HMXAYCDBGVATJU-SNVBAGLBSA-N 467.905 4.657 50 10 JJGE CC1CC(CBr)(CNC(=O)c2ccc(Br)cc2Br)C1 2128732907 QXBPYBNIANFVGX-UHFFFAOYSA-N 454.000 4.753 50 10 JJGE CC1(C)[C@@H](NC(=O)c2cc(Br)ccc2I)CC[C@H]1Cl 2142127855 XFEODNKPSWEFGX-NEPJUHHUSA-N 456.549 4.580 50 10 JJGE CC[C@H](CCCBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2154044007 WRYYDWGPJQJCTJ-SECBINFHSA-N 468.038 4.988 50 10 JJGE Brc1ccc([C@H](CI)OCCN2CCCCCC2)cc1 2175841961 KNSNTUUYUPGTTF-INIZCTEOSA-N 452.174 4.818 50 10 JJGE CN(c1ccc(Br)cc1)S(=O)(=O)c1cc(CBr)oc1Br 2179785269 JSOARAYYHFKDJJ-UHFFFAOYSA-N 487.995 4.525 50 10 JJGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2CC[C@H](Cl)C[C@H]2C1 2207274004 YQMKZYFVSVZTEM-NHCYSSNCSA-N 468.560 4.533 50 10 JJGE C[C@@H](CBr)CC1CN(C(=O)c2c(Br)cccc2Br)C1 2230530392 CVLRQMQCNKTDQV-SECBINFHSA-N 454.000 4.705 50 10 JJGE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H]1CCCN(CCCCI)C1 2248251382 YBOFWGDSARIMDB-SJORKVTESA-N 450.405 4.703 50 10 JJGE Brc1cc(CC[C@H](Br)CN2CCCC2)ccc1I 2325208253 GNTKIVXITNXZIF-LBPRGKRZSA-N 487.017 4.846 50 10 JJGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(F)cc4F)cs3)cc2C1=O 2331286578 MGRUCJHUNNWOSB-UHFFFAOYSA-N 481.480 4.671 50 10 JJGE CC1(C)CC(CBr)(CN=[S@](C)(=O)C2CC(CNC(=O)OC(C)(C)C)C2)C1 2345008080 KHKDMYPLXACIHB-JZOGHIHUSA-N 451.471 4.589 50 10 JJGE COC1CC2(C1)CC(O[C@H](CI)c1cccc(Br)c1)C2 2361327788 PRXSJNVZQKYQAL-MYLOQMAZSA-N 451.142 4.899 50 10 JJGE Cn1ncc([C@@H](Br)c2cc3c(cc2Br)OCCC3)c1Br 2369641557 ZYKNZDAQZASIDM-ZDUSSCGKSA-N 464.983 4.754 50 10 JJGE CC(C)(C)OC(=O)N1CC2(CCS(=O)(=NC[C@@](C)(CBr)C(C)(C)C)CC2)C1 2380189357 GFIMDBYUGJCEMK-LJQANCHMSA-N 465.498 4.933 50 10 JJGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccccc1OCCc1ccccc1 10509417 KXYUZGYSZVEQSU-HXUWFJFHSA-N 454.526 4.690 50 10 JJGE CCN(CCCl)CC(=O)NCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12 31598636 XVRBEKKMTQIHGZ-UHFFFAOYSA-N 463.409 4.529 50 10 JJGE COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 31902374 NUHWSOCTMFREQQ-MOSHPQCFSA-N 496.972 4.882 50 10 JJGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(Oc3cccc(C)c3)nc3c(C)cccn3c2=O)cc1 33727561 ZXUCGHXWYYJWDA-JCMHNJIXSA-N 471.538 4.750 50 10 JJGE Cc1ccc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])cc1Cl 40591048 XUTXQZHBVLGOEC-UHFFFAOYSA-N 477.706 4.610 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(F)cc1 40926912 QPWNIIUNBFKWHB-PBSFTAHRSA-N 460.461 4.660 50 10 JJGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCC 58895217 RRAGVSKCOUTJIH-JMTCZITHSA-N 489.410 4.939 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 96640335 SXAODBGFKOAQTK-WJDWOHSUSA-N 490.428 4.945 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)cc1F 214204489 CMGNAMYBZVQUSG-BKUYFWCQSA-N 470.504 4.689 50 10 JJGE C#CCOc1ccc(C=NNC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OC 252622811 ODHFPOQILAMQTK-UHFFFAOYSA-N 488.491 4.619 50 10 JJGE COc1cc(C=NNC(=O)c2cc(-c3cccs3)nc3ccccc23)cc(OC)c1OC(C)=O 254751328 LNUVPEQOHHRBKQ-UHFFFAOYSA-N 475.526 4.670 50 10 JJGE C[C@H](Br)C[C@@H]1CCCN1C(=O)c1ccc(Br)cc1Br 311979660 LJXVTDOEHPJBMT-ONGXEEELSA-N 454.000 4.990 50 10 JJGE Cn1cc([C@H](Br)c2cc(Br)cc3c2OCCC3)nc1Br 711115233 OYSGJSTYICXUHK-GFCCVEGCSA-N 464.983 4.754 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc([N+](=O)[O-])cc2F)C1 725415524 LOYXCHAQUPJGKD-WMLDXEAASA-N 484.265 4.521 50 10 JJGE COc1cc(C)ccc1C(=O)COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 791195519 GDOAAWMZHVSSJA-CPNJWEJPSA-N 488.931 4.767 50 10 JJGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cccc5ncccc45)c(C)c32)c1 1772747842 SAZGELPSICSFIQ-UHFFFAOYSA-N 468.513 4.868 50 10 JJGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccccn5)c(C)c43)coc2c1C 1772752209 ZEFWRAYXDPWIMJ-UHFFFAOYSA-N 470.529 4.998 50 10 JJGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc12 1858682228 HHIRQWNMCGXDJM-UHFFFAOYSA-N 458.430 4.771 50 10 JJGE CCCCC1CCC(C(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)CC1 1860770068 RITHRCOIVUFYPF-UHFFFAOYSA-N 480.634 4.577 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681412 MTSJAGXSJCYGNG-HSZRJFAPSA-N 468.488 4.670 50 10 JJGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865693034 QUKOSJPYUIFHOH-OAQYLSRUSA-N 450.926 4.714 50 10 JJGE COc1ccc(CCN2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(F)cc4)cs3)CC2=O)cc1OC 1872753322 RFRRRHBPRADEIF-OFGUMHRGSA-N 493.560 4.850 50 10 JJGE O=C(CCc1nc2ccccc2[nH]c1=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1873496404 PTRDYYHIDFZKOT-CCVNUDIWSA-N 495.366 4.892 50 10 JJGE CC1(C)CC[C@H](Cl)CN1C(=O)c1cc(I)ccc1Br 2099882826 REVWLHVAIGTJPG-VIFPVBQESA-N 456.549 4.676 50 10 JJGE BrCCOCC1CCN(Cc2c(Br)cccc2Br)CC1 2167394077 DAMHZRXDYHEWAG-UHFFFAOYSA-N 470.043 4.835 50 10 JJGE CN(C[C@H](Cl)C1CCCC1)C(=O)c1ccc(I)c(Br)c1 2167653606 ZGOAGDALOMKSAB-ZDUSSCGKSA-N 470.576 4.923 50 10 JJGE CN(CC[C@@H](Br)c1ccccc1)S(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 2168117204 PVVRYSUEKMHLAR-NJDAHSKKSA-N 452.414 4.522 50 10 JJGE O=C(NC[C@]12CCC[C@]1(CBr)C2)c1cc(Br)ccc1Br 2208039803 NHIXZXZYFHFCMK-HUUCEWRRSA-N 466.011 4.897 50 10 JJGE C[C@H]1[C@H](Br)C[C@@H](C)CN1C(=O)c1ccc(Br)cc1Br 2227593549 FFZFTCQJMFIGRF-VDDIYKPWSA-N 454.000 4.846 50 10 JJGE O=C(c1c(F)cccc1I)N1CCCC[C@H]1CCCBr 2282807502 JGHGKIHVAKZISX-NSHDSACASA-N 454.121 4.600 50 10 JJGE C[C@H]1CCCN(CC(C)(C)CI)[C@@H]1CCCNC(=O)OC(C)(C)C 2306819979 ZISHZSLLCSDAJE-JKSUJKDBSA-N 452.421 4.853 50 10 JJGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1cc(Br)sc1Br 2310048859 XGLLPPJYLLJBBI-XRRXOLGASA-N 458.013 4.565 50 10 JJGE CC(=O)Nc1sc(C(C#N)=Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)nc1-c1cccs1 2314433573 PCXLIYVGSOCNTM-UHFFFAOYSA-N 496.595 4.802 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)C=Cc1ccc(F)cc1 2314736970 DZHKBXNQLKNAHZ-UHFFFAOYSA-N 456.473 4.676 50 10 JJGE CCOc1ccc(C=NNC(=O)CSc2nc3ccccc3s2)cc1Br 2323195470 ICOKPNMCSZRWSY-UHFFFAOYSA-N 450.383 4.700 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2)c1 2328828141 ZJAKQVWLSKIGSW-NRFANRHFSA-N 457.958 4.769 50 10 JJGE CN(C(=O)c1ccc(Cl)cc1I)[C@@H]1CCCC[C@@H]1Br 2340058782 SSPLEYWIRYZJJC-WCQYABFASA-N 456.549 4.723 50 10 JJGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1ccc([C@H]2CCOC2)s1 2364239253 ZQBNDCXMXLKCLY-XVKPBYJWSA-N 485.039 4.995 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1C[C@H](Br)CCC12CCC2 2365584577 QDHPVSVJWRRPQR-SNVBAGLBSA-N 468.560 4.867 50 10 JJGE BrC[C@@H]1N(Cc2c(Br)cccc2Br)CC12CCOCC2 2381034433 PFFHHJDUFNLGJX-AWEZNQCLSA-N 468.027 4.588 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)c1OC 38658875 PAVXQGDUAWXIJO-RUZDIDTESA-N 486.524 4.928 50 10 JJGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc3cc(Br)ccc3o2)c(OC)c1 41007501 KSPNYIYTAWDCAO-CXUHLZMHSA-N 483.318 4.856 50 10 JJGE C#CCOc1c(CC=C)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OC 59680065 APWPUUWYMLYDOP-AFUMVMLFSA-N 467.319 4.708 50 10 JJGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCC)c(OCC)c2)cc1 207128392 CGRLDUOXNNJFEF-JLWZUKIZSA-N 462.546 4.926 50 10 JJGE CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(Cc4ccccc4)C(=O)C(C#N)=C3C)o2)cc1 214280289 UDWVEBYKEVGZJA-HAHDFKILSA-N 466.493 4.916 50 10 JJGE CCOc1ccc([C@H](Cl)c2cnn(C)c2I)c(Br)c1 379231849 ZWFQSSQKFORZJO-LBPRGKRZSA-N 455.521 4.514 50 10 JJGE Nc1cccc(Cl)c1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382704622 DZLABESXDHOPNH-LSDHHAIUSA-N 470.738 4.709 50 10 JJGE CC(C)(CCCCl)CNC(=O)c1ccc(I)c(Br)c1 721512539 XSXAKIPFHSRGJU-UHFFFAOYSA-N 458.565 4.829 50 10 JJGE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNC(=O)c2cccc(I)c2)o1 1083996652 STKRWOZUXUKHKL-UHFFFAOYSA-N 475.242 4.532 50 10 JJGE Cc1cc(C)cc(CSCC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)c1 1084526432 JEDNZJXATZORKR-UHFFFAOYSA-N 461.587 4.704 50 10 JJGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746001 NPINDHQMQHXPCA-UHFFFAOYSA-N 480.908 4.550 50 10 JJGE Cc1c(C(=O)Oc2ccc(F)cc2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751339 ONDQQVHJECSZMX-UHFFFAOYSA-N 457.461 4.965 50 10 JJGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(OC(=O)c2ccc(F)cc2)cc1 1772760514 LSWUCWGJJBFNCP-UHFFFAOYSA-N 465.531 4.897 50 10 JJGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865693491 WHALLUOTJBCUKR-JOCHJYFZSA-N 494.979 4.781 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)ccc1OCc1ccc(C)cc1 1865695493 OXBNWKVZAHWANL-IBGZPJMESA-N 470.451 4.553 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(C(=O)O)cc1 1865709197 QXOBXQQBCJESQP-QFIPXVFZSA-N 466.472 4.654 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cccc(OC)c1)C(C#N)=C(N)O2 1865712409 XRXRMSJBYUHOQS-OAQYLSRUSA-N 452.917 4.903 50 10 JJGE CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2sc(/C(C)=C/C#N)c(C)c2C(=O)OC)CC1=O 1873428309 MJEULNYIGJBPIW-FERCGXDMSA-N 479.602 4.886 50 10 JJGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)cc2)C1 1873777668 OIUZLRWZWXGAET-FFXXTYGZSA-N 490.991 4.709 50 10 JJGE Cn1cnc(Br)c1[C@H](Cl)c1sc(Cl)cc1I 1901023002 HQJDHLVKXXEJPY-LURJTMIESA-N 451.942 4.830 50 10 JJGE CSCC[C@H](Br)CCNC(=O)c1cc(Cl)ccc1I 2090385202 NZOZEYOUQLVZCB-SECBINFHSA-N 476.605 4.581 50 10 JJGE O=C(N[C@@H]1CCC[C@@H]1CCBr)c1cc(Br)cc(Br)c1 2090571059 GEUPHYGDMOWDDO-NOZJJQNGSA-N 454.000 4.895 50 10 JJGE C[C@@H]1C[C@@H](CBr)CCN1C(=O)c1c(Br)cccc1Br 2115831136 HXVRHEDWLGUJEC-ZJUUUORDSA-N 454.000 4.847 50 10 JJGE F[C@H]1CCO[C@H]1CC(CBr)(CBr)c1ccccc1Br 2122533922 SLAIYQDCPFYLFM-STQMWFEESA-N 458.991 4.994 50 10 JJGE CC1(C)[C@H](Cl)CC[C@H]1NC(=O)c1cc(I)ccc1Br 2142128046 XQZMSFLNUTWWLA-VXGBXAGGSA-N 456.549 4.580 50 10 JJGE O=C(NCC[C@@H]1CCC[C@@H]1Cl)c1ccc(Br)cc1I 2142282528 FMMKRNZGHUKJAV-CABZTGNLSA-N 456.549 4.581 50 10 JJGE Cc1cccc(C(=O)NC[C@H]2CCCC[C@@H](Br)C2)c1I 2163745246 GJRYPWBKYGYQRW-QWHCGFSZSA-N 450.158 4.673 50 10 JJGE FC(F)(F)c1cnc(N2CC[C@H](Br)CC23CC3)c(I)c1 2169894467 SHYKIBONEKWALH-VIFPVBQESA-N 461.063 4.601 50 10 JJGE CC1(C)OCCO[C@@H]1COc1c(Br)cc(CBr)cc1Br 2186966833 GBWSKGYJTGBGIB-GFCCVEGCSA-N 472.999 4.679 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Br)C2 2190678339 LACXPPHCNJNWBZ-ZBPZKIAKSA-N 469.974 4.690 50 10 JJGE CC(C)(C)OC(=O)Nc1c[nH]nc1C1CCN(CCCCCI)CC1 2220224731 YEVRYPSEAJRTPT-UHFFFAOYSA-N 462.376 4.541 50 10 JJGE C[C@@H](CBr)CC1CN(C(=O)c2ccc(Br)cc2Br)C1 2230536632 LXQFOUKPRAYMKT-SECBINFHSA-N 454.000 4.705 50 10 JJGE CC[C@H](Br)CCCNC(=O)Cc1cc(Br)cc(Br)c1 2277936986 QYLFSBPLVSKROS-NSHDSACASA-N 456.016 4.824 50 10 JJGE CN(C(=O)c1c(F)cccc1I)[C@@H]1CCCCC[C@H]1Br 2282793575 BJQUIUXYQXHATB-ZWNOBZJWSA-N 454.121 4.599 50 10 JJGE C[C@@H]1CCCN(C(=O)c2ccc(Cl)c(I)c2)[C@H]1CCBr 2283670056 RBXHNTXMXPWBIK-YGRLFVJLSA-N 470.576 4.970 50 10 JJGE COc1ccc(Br)c(NCCSSCCNC(=O)OC(C)(C)C)c1[N+](=O)[O-] 2286089936 LPSXUYYLKKEDJJ-UHFFFAOYSA-N 482.422 4.684 50 10 JJGE CCOc1cccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCC(=O)O)c(Br)c2)c1 2294187408 KYVZXBYWFXPNPO-UHFFFAOYSA-N 479.714 4.510 50 10 JJGE BrC[C@@H]1C=CCCN1Cc1ccc(I)c(Br)c1 2306218188 XOVLCNGMRPOUNP-NSHDSACASA-N 470.974 4.579 50 10 JJGE BrC[C@@]1(Cc2ccc(I)c(Br)c2)CCCOC1 2306222691 XLMUQMCMZIAJKD-ZDUSSCGKSA-N 473.974 4.788 50 10 JJGE O=C(Nc1cc(F)c(CBr)cc1F)c1ccc(I)cc1 2368834808 AKOMHNVZSQHGJX-UHFFFAOYSA-N 452.036 4.717 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2cc(C(C)(F)F)ccn2)CC1 2381512106 NDMXOELYHYWULK-UHFFFAOYSA-N 496.336 4.915 50 10 JJGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)c1 14644988 AOQBOICDLFTZRC-UHFFFAOYSA-N 491.613 4.640 50 10 JJGE C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1cccc(O)c1 19826265 DBOTVMCWEMXEIY-QQXSKIMKSA-N 477.977 4.926 50 10 JJGE COc1cccc(CN2c3ccccc3C3=C([C@@H](c4ccc(C)cc4)C(C#N)=C(N)O3)S2(=O)=O)c1 20132067 MWAAUHDJRZTGQZ-DEOSSOPVSA-N 485.565 4.530 50 10 JJGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)c1 38654914 HCFPQJPBCBRXNS-XMMPIXPASA-N 471.469 4.821 50 10 JJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1 38658042 KXOOUQDBQVMNBU-SANMLTNESA-N 472.472 4.593 50 10 JJGE O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)NNC(=O)c1ccc(Cl)cc1 39852944 BPCMTKLECVEMMV-UHFFFAOYSA-N 450.901 4.806 50 10 JJGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 59181326 ABUVBULLKDEOCU-XODNFHPESA-N 497.433 4.693 50 10 JJGE CCn1c(=O)oc2cc([C@H](Br)c3csc(I)c3)ccc21 124429234 HMQXQEUSYIHYBA-ZDUSSCGKSA-N 464.122 4.765 50 10 JJGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1ccc(OCc2ccc(C)cc2)cc1 214309251 BWNXVCHHQNSWPY-XYGWBWBKSA-N 458.558 4.981 50 10 JJGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C[C@@H]2CC=C(C)C[C@H]2C)c(OC)c1 254485354 RMJITTRYQPRBOH-NVZSRDDXSA-N 461.562 4.569 50 10 JJGE C=CCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(OCC)cc3)c(OC)c2)cc1 254612806 YLNBSCAAVPLFBK-UHFFFAOYSA-N 474.513 4.642 50 10 JJGE CN(c1ncc(C(F)(F)F)cc1I)[C@H]1CCCC[C@@H]1Br 686110034 YMYFLAFYXXCUDR-ONGXEEELSA-N 463.079 4.847 50 10 JJGE O=S(=O)(Nc1cc(Cl)ccc1I)c1ccc(CBr)cc1 689753701 QMVLVXFIABSPMC-UHFFFAOYSA-N 486.556 4.640 50 10 JJGE O=C(c1scc(Br)c1Br)N1CCC(F)(F)[C@@H](CBr)C1 705437810 JGDOWJHAEKVYRP-LURJTMIESA-N 481.982 4.765 50 10 JJGE CC(=NNC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1cccc(I)c1 1084422564 DAUUYIVFUHBVQT-GFCCVEGCSA-N 458.752 4.966 50 10 JJGE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C 1264281087 SBOONPSSXDKRPA-UUYOSTAYSA-N 450.535 4.797 50 10 JJGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865699474 VFLVDIMPYRUEJT-JOCHJYFZSA-N 489.938 4.956 50 10 JJGE COc1ccccc1-c1ccc(C(=O)NNC(=O)c2ccc(OCc3ccccc3)cc2)c(C)n1 1865760425 XAEBVJOENRNREW-UHFFFAOYSA-N 467.525 4.719 50 10 JJGE Cc1cc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)nn1-c1ccccc1 1866836684 BAMBOGLTPQJSCZ-XMMPIXPASA-N 499.571 4.873 50 10 JJGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OCc4ccccc4)c(OC)c3)nc2c1 1872727439 AWVLZPCOPFYKCI-UDWIEESQSA-N 467.481 4.774 50 10 JJGE COc1ccc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1OCc1ccc(C)cc1 1873792458 DJJQZQIPEOXAHM-WKULSOCRSA-N 486.524 4.527 50 10 JJGE Cn1ncc([C@@H](Cl)c2sc(Br)cc2Br)c1I 1922892288 REUKCQSCVINHAH-SSDOTTSWSA-N 496.393 4.939 50 10 JJGE C[C@H](CCl)C(=O)Nc1cc(Br)c(I)c(Br)c1 1938593521 FOPOPQFPHFCZFH-RXMQYKEDSA-N 481.353 4.630 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H]1CBr)c1c(Br)cccc1Br 2094088850 PRUIHLHCFIFXIP-ZJUUUORDSA-N 454.000 4.753 50 10 JJGE C[C@@H]1C[C@@H](Br)CCN(C(=O)c2c(Br)cccc2Br)C1 2103292266 NKVPPFBHVKCEDD-ZJUUUORDSA-N 454.000 4.847 50 10 JJGE COCc1cc(Br)c([C@@H](Br)c2nn(C)c(Br)c2C)s1 2111927955 FEPOPQKYWZTXPZ-VIFPVBQESA-N 473.028 4.946 50 10 JJGE C[C@H](Br)CCCc1cn(-c2cc(Br)ccc2I)nn1 2132761895 IKSREROEBFHXRO-VIFPVBQESA-N 498.988 4.741 50 10 JJGE ClC[C@@]12CCC[C@@H]1N(c1ncc(I)cc1Br)CCC2 2133375323 QBCIVXFGIROXNK-JSGCOSHPSA-N 455.565 4.827 50 10 JJGE CC1(C)CC[C@H](CCl)N1C(=O)c1cc(I)ccc1Br 2140845508 UZYXLOJCIULYRU-SNVBAGLBSA-N 456.549 4.676 50 10 JJGE CC[C@H](Br)CN(CC)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2162890118 ZNGCMUIKWMVLQO-QMMMGPOBSA-N 468.038 4.940 50 10 JJGE C[C@](CI)(OCCOCCC1CC1)c1ccccc1Br 2184231193 OHMQGPVSVJZACJ-MRXNPFEDSA-N 453.158 4.933 50 10 JJGE Cc1cc(C)c([C@@H](Br)c2nn(C)nc2Br)c(C)c1Br 2226985097 ATMQSDVKEULENC-LLVKDONJSA-N 451.988 4.750 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H](CBr)C1)c1ccc(Cl)c(I)c1 2283651255 DWJRRYJDGBJWCW-GHMZBOCLSA-N 470.576 4.876 50 10 JJGE BrC[C@@H]1CC[C@@H]2CN(Cc3cc(Br)ccc3Br)C[C@@H]2O1 2289331139 OLODTMLTXFTBDP-DGFSRKRXSA-N 468.027 4.586 50 10 JJGE COc1ccc(-c2csc(CCNC(=O)C(C#N)=Cc3ccc(Br)cc3)n2)cc1 2329663561 ZMEBKFPZEABGCV-UHFFFAOYSA-N 468.376 4.847 50 10 JJGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)c(C(C)C)cc1Br 12490531 XPXCUFATJLBRJA-UHFFFAOYSA-N 491.426 4.784 50 10 JJGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCC)c(OC)c2)c(OCC)c1 33378275 DZFBYQBSEADUID-PSIVNPAISA-N 465.502 4.581 50 10 JJGE O=C(/C=C\c1cccc2ccccc12)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 33566539 AZBPVXDTJQWOIQ-SDXDJHTJSA-N 481.577 4.768 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1 38650375 JWCDRKCJGHXESQ-AREMUKBSSA-N 456.498 4.515 50 10 JJGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 39850262 OKESICHBTPKWNH-LPYMAVHISA-N 455.495 4.606 50 10 JJGE Cc1c(C(=O)NNC(C)(C)C)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822850 ROBPJGBMRCWMNE-SGWCAAJKSA-N 458.562 4.758 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1cc([N+](=O)[O-])ccc1Cl 40869966 UFBAQQRJWMNOLG-WOJGMQOQSA-N 491.887 4.699 50 10 JJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OC(C)C)c(OC)c2)c(OC)c1 207007755 LHMPYWOISHCYBW-DSHLQMHJSA-N 465.502 4.580 50 10 JJGE C=CCOC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OCC)c1 207913157 FETPJYHNMBKGMJ-BOPFTXTBSA-N 474.435 4.758 50 10 JJGE CC(C)(C)OC(=O)N1CCN(/C=C(/C#N)C(=O)Nc2ccccc2Sc2ccccc2)CC1 217244120 VZPIHWRCHXSJQH-HNENSFHCSA-N 464.591 4.736 50 10 JJGE COc1ccc(C=NNC(=O)c2ccc(O)cc2)cc1COc1ccc(C(=O)OCC(C)C)cc1 254408297 HHNXGZKYTBKQAC-UHFFFAOYSA-N 476.529 4.557 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cc4ccccc4cc3O)cc2)cc1 254834006 RGYZEVJLHXTBCT-UHFFFAOYSA-N 454.482 4.927 50 10 JJGE C=CCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OCC)cc3)cc2)c(OC)c1 254840213 XMVGGQXIHOXXOH-UHFFFAOYSA-N 488.540 4.571 50 10 JJGE C[C@H](Br)C[C@H]1CCCN1C(=O)c1cc(Cl)ccc1I 311373562 SHAMTNPFMFXWGY-GXSJLCMTSA-N 456.549 4.723 50 10 JJGE CC[C@@H](C)N(CCBr)S(=O)(=O)c1cc(Br)c(C)cc1Br 383601070 VFAPBQXGCZKFPP-SNVBAGLBSA-N 492.071 4.704 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccc(Br)cc2)C1 394679406 WZOVLBKTMVVZGN-OCCSQVGLSA-N 466.157 4.835 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 398739844 OTCMGRWYAHMJAQ-SDDRHHMPSA-N 468.560 4.580 50 10 JJGE C[C@H]1C[C@H](CBr)CN(C(=O)c2cc(Br)cc(Br)c2)C1 398811520 PNDCSYNRFJLAFC-VHSXEESVSA-N 454.000 4.705 50 10 JJGE C[C@H]1CN(C(=O)c2cc(Br)c(Br)s2)C[C@@H](C)[C@@H]1Br 688134521 OYMSKESMDQGLIT-MTBHXBHISA-N 460.029 4.765 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2cccnc2Cl)c(C)n1-c1ccc(F)cc1 729350407 AKQWLPYKYRXBQJ-IQFISFIMSA-N 466.900 4.759 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)c(C)n1CCC(C)C 731337571 GNGAANUHEHXGTH-WLGHQHAYSA-N 483.634 4.649 50 10 JJGE CC(C)CCn1c(=O)c2ccccc2n2c(SCC(=O)N/N=C3\C[C@H]4CC[C@@]3(C)C4(C)C)nnc12 1087756596 BKPPLVYILVUJBS-LPSHGLDGSA-N 494.665 4.501 50 10 JJGE C=CC[C@@H](NC(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1ccncc1 1679335036 QDPNLPNTBGFHAC-JOCHJYFZSA-N 450.926 4.575 50 10 JJGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772746368 BINNGZMVJSQKRJ-UHFFFAOYSA-N 480.908 4.801 50 10 JJGE CCOc1c(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2Br)cccc1OC 1772756526 MOPMNMDOVIAOMU-UHFFFAOYSA-N 469.763 4.656 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)ccc1O 1865681061 DFGLYXNGUFTXRV-SFHVURJKSA-N 490.869 4.926 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CCc2ccccc2F)cc1 1866591751 IBMQSBGKBHOWQU-QHCPKHFHSA-N 465.525 4.837 50 10 JJGE CCCC[C@@H](NC(=O)c1cc(C2CC2)n2nc(C3CC3)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867176312 YQRXSSBLMDOSHZ-HXUWFJFHSA-N 488.617 4.985 50 10 JJGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@]12CCOC2 1894791244 NGRSINOMOGEVEF-HZMBPMFUSA-N 454.984 4.912 50 10 JJGE Cc1cccc(CC[C@@H](Br)CN2C(=O)c3ccccc3C2=O)c1Br 1905313570 FSAOFUATJOVBSW-CQSZACIVSA-N 451.158 4.750 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)CCc1cc(F)cc(Br)c1 1905343936 RDAPAKCPOUFUGK-LBPRGKRZSA-N 455.121 4.581 50 10 JJGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1cc(Cl)ccc1CBr 1912993742 XSAFZSINNGZMLZ-UHFFFAOYSA-N 458.743 4.649 50 10 JJGE ClCc1ccn(-c2cc(Br)c(I)c(Br)c2)n1 1938593804 JBTYYEWHXXLCPE-UHFFFAOYSA-N 476.337 4.741 50 10 JJGE C[C@H]1CN(c2ncc(I)cc2Br)CC[C@@H]1CCBr 2069529924 UMFBFSVOGGGPSL-UWVGGRQHSA-N 488.005 4.696 50 10 JJGE CC1(C)CC[C@H](Cl)CN1C(=O)c1ccc(I)c(Br)c1 2099878431 HJHQSHNJGOPZFV-JTQLQIEISA-N 456.549 4.676 50 10 JJGE CC[C@@H](Cl)CN(C(=O)c1cc(I)ccc1Br)C1CC1 2107414937 PIOXJIPGQMSYGK-SECBINFHSA-N 456.549 4.676 50 10 JJGE CN(C1CC(OCc2ccccc2)C1)S(=O)(=O)c1cc(Br)cc(CCl)c1F 2156447407 JQQWMKPLYFXRDK-UHFFFAOYSA-N 476.795 4.695 50 10 JJGE CC[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2Cl)CCN1Cc1ccccc1 2179793770 YPWMRWCRCHHDHF-SFHVURJKSA-N 471.848 4.520 50 10 JJGE CN([C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21)S(=O)(=O)c1cc(CBr)cs1 2190545892 CSQJIJGRVDHBCR-CADBVGFASA-N 470.454 4.647 50 10 JJGE O=C(c1cc(C(F)(F)F)ccc1Br)N1CCC(I)CC1 2198572469 AOBQTIUVXYGAIE-UHFFFAOYSA-N 462.047 4.508 50 10 JJGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)Cc1ccc(Br)cc1 2213761107 QGSNBUHTQDCOKG-KRWDZBQOSA-N 475.246 4.955 50 10 JJGE CCN(C(=O)c1cccc(Br)c1Br)[C@H]1CCC[C@H]1Br 2224419628 PQLAKDHMBNYDDI-PWSUYJOCSA-N 454.000 4.990 50 10 JJGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@H](Br)[C@H]1CC2 2229866846 YZAHHFHRPZYHIQ-TVYUQYBPSA-N 498.984 4.584 50 10 JJGE C[C@]1(CNC(=O)c2ccc(I)c(Cl)c2)CCC[C@@H]1Br 2271298368 QYVBELIIIKWHIN-GXTWGEPZSA-N 456.549 4.628 50 10 JJGE C[C@@H](Br)[C@H]1CCCN1C(=O)Cc1cc(Br)cc(Br)c1 2277925782 GMUHPCZYBSZIMZ-NOZJJQNGSA-N 454.000 4.529 50 10 JJGE COc1ccc([C@H](Br)[C@@H]2C[C@@H](OC)C23CCC3)cc1I 2285001641 HKUQHXMYYCYQSN-GLQYFDAESA-N 451.142 4.941 50 10 JJGE CC1(C)C[C@H](Br)CN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295308282 VOLSVTYSIYMJJS-ZDUSSCGKSA-N 468.027 4.776 50 10 JJGE CCN(C(=O)Cc1cc(Br)cc(Br)c1)[C@H]1CCC[C@H]1Br 2295313961 RGSHTKOPURYENR-KGLIPLIRSA-N 468.027 4.919 50 10 JJGE CC1(C)CC[C@@H](CBr)N1C(=O)Cc1cc(Br)cc(Br)c1 2295314402 XNHJIWWWJUDZDD-ZDUSSCGKSA-N 468.027 4.919 50 10 JJGE COc1ccc(C=C(C#N)C(=O)Nc2sccc2C(=O)OC(C)C)cc1Cn1nc(C)cc1C 2295635839 ZVZLMMSFLJBAEP-UHFFFAOYSA-N 478.574 4.729 50 10 JJGE CC[C@](C)(COC1(CI)CCN(C(=O)OC(C)(C)C)CC1)C(F)F 2299754213 NGHFKGOTKLFRFZ-MRXNPFEDSA-N 461.331 4.889 50 10 JJGE C[C@H](C(=O)Oc1cccc(C=C(C#N)c2ccc(Cl)cc2)c1)N1C(=O)c2ccccc2C1=O 2320511480 XXSZQMHRPKFFFG-MRXNPFEDSA-N 456.885 4.994 50 10 JJGE C[C@H]1CCN(Cc2ccc(I)c(Br)c2)C[C@H]1CBr 2325212832 HKGHWLFNJBJBGD-CMPLNLGQSA-N 487.017 4.907 50 10 JJGE COc1ccc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1OCc1ccc(C)cc1 2328804086 DJJQZQIPEOXAHM-UHFFFAOYSA-N 486.524 4.527 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1 2331276266 AVFXNXUKNGCOJD-UHFFFAOYSA-N 490.497 4.596 50 10 JJGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(C(C)(C)C)C3)n2)cc1Cl 2331378733 WDMPTNQEPBKPDD-LBPRGKRZSA-N 461.971 4.920 50 10 JJGE CN(CCCCCCCBr)Cc1c(Br)c(Br)nn1C 2338954035 RANGRDNZKHDQMI-UHFFFAOYSA-N 460.052 4.722 50 10 JJGE CCN(CC)c1ccc(/C=C2/S/C(=N\NC(=O)c3ccc(Cl)cc3Cl)NC2=O)cc1 6078463 DABWJKIJVYCVEK-WOJGMQOQSA-N 463.390 4.745 50 10 JJGE Cn1cnnc1SCc1ccc(C(=O)N/N=C2\C[C@H](c3ccccc3)Oc3ccccc32)cc1 12604441 HMFBRAQEEDTNIL-KZEJMIKBSA-N 469.570 4.765 50 10 JJGE O=C(NN(Cc1ccccc1)Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 12630409 SMAMYWAVWLSIQX-UHFFFAOYSA-N 471.582 4.835 50 10 JJGE COc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 38606982 KWSKUCUYPFVOJP-YDZHTSKRSA-N 468.509 4.968 50 10 JJGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811605 JLSZOTWGVPXZST-TURZUDJPSA-N 493.947 4.775 50 10 JJGE O=C(N[C@@H](CBr)Cc1ccccc1)c1cc(Br)ccc1Br 161219680 DZQKAZHOZVCVGW-CYBMUJFWSA-N 476.006 4.948 50 10 JJGE O=S(=O)(c1cc(Br)cc(CCl)c1F)N1CC[C@H](COCc2ccccc2)C1 383956803 BFDGEVXVPBCCLS-HNNXBMFYSA-N 476.795 4.554 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@H](c2cccc(I)c2)C1 394775055 INJAZRWYMWCSJM-OCCSQVGLSA-N 466.157 4.637 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)c(-c2ccccc2)n1 914763461 DAIKDKXDKNZJIK-CJLVFECKSA-N 487.523 4.657 50 10 JJGE COc1cc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(F)cc1 1084284204 HCKHZSFZZQDAGX-UHFFFAOYSA-N 490.318 4.809 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccccc2OCc2ccc(F)cc2)cc1 1084428833 IZJNHWTWWDNLOJ-DEOSSOPVSA-N 450.510 4.767 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](CBr)C1 1614617227 UPIMHWORHJVYGG-JKSUJKDBSA-N 453.720 4.995 50 10 JJGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(F)cc1 1865692831 JLXUXXAICKVVFQ-SFHVURJKSA-N 488.441 4.715 50 10 JJGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1865700538 WOWLZCIGJZVYFS-NRFANRHFSA-N 455.905 4.814 50 10 JJGE Cc1ccc(COc2ccc(/C=N/NC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)cc1 1873499405 TVJPGVNUCXXZNS-PSZYXBCASA-N 451.567 4.671 50 10 JJGE C[C@@H](Br)[C@@H](NC(=O)c1cc(Br)cc(Br)c1)C(F)(F)F 1882651565 KMBHDOJFNSJITB-MLUIRONXSA-N 467.905 4.656 50 10 JJGE Cc1sc(Br)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)CBr 1914352266 DTYGUZHOOJZSSV-NSHDSACASA-N 467.248 4.793 50 10 JJGE CC(C)[C@H](CCBr)NC(=O)c1ccc(Br)cc1I 2086147574 OPLOGTPANPTJHR-LBPRGKRZSA-N 488.989 4.593 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CCCCC[C@@H]1CBr 2092339150 AVPNGOWAYMKZLI-SNVBAGLBSA-N 454.000 4.991 50 10 JJGE Cc1ccc(C(=O)N2CC[C@H](Br)[C@H]2C(C)(C)C)cc1I 2232839192 QXXUMXGTSXJLGT-JSGCOSHPSA-N 450.158 4.624 50 10 JJGE Cc1ccc(C(=O)N2CCC[C@@H](CCBr)CC2)cc1I 2232839384 UNFOMJQNAKJFAK-ZDUSSCGKSA-N 450.158 4.627 50 10 JJGE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H]1CCCN(CCCCI)C1 2248251381 YBOFWGDSARIMDB-IRXDYDNUSA-N 450.405 4.703 50 10 JJGE CN(C[C@@H]1CCC[C@@H]1Br)C(=O)c1ccc(Cl)c(I)c1 2268339933 JWECADLMOSARMN-QWRGUYRKSA-N 456.549 4.580 50 10 JJGE CC1(C)CN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@H]1CBr 2295309638 LVWLBSBQCVHNDL-LLVKDONJSA-N 468.027 4.634 50 10 JJGE N#CC(C(=O)NCc1ccco1)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 2296834935 DMJDLZHLYSTYBE-NRFANRHFSA-N 481.936 4.815 50 10 JJGE CCOc1ccc(-n2c(C)cc(C=C(C#N)C(=O)O[C@@H](C)C(=O)N(C)c3ccccc3)c2C)cc1 2297335573 PCWSRFHRIASKAF-NRFANRHFSA-N 471.557 4.995 50 10 JJGE Cc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)C(=O)Nc1ccc(Cl)cc1 2314533172 PIOKGHJMMQMDBV-UHFFFAOYSA-N 456.889 4.994 50 10 JJGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593447 NAKILEJCOKWBRQ-XMMPIXPASA-N 471.582 4.893 50 10 JJGE COc1ccc(Br)cc1C(=O)N[C@@H](CCBr)COCc1ccccc1 2320358786 SUYOODLGFBECAE-INIZCTEOSA-N 471.189 4.558 50 10 JJGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)C=Cc1ccc([N+](=O)[O-])s1 2321143312 PLSBLNKJOROSFC-UHFFFAOYSA-N 477.329 4.808 50 10 JJGE COc1cc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc(OC)c1OCc1ccccc1 2328824642 BXZLKJZBVDEWGT-NRFANRHFSA-N 499.608 4.672 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@H]2CC[C@H]1C[C@@H]2Br 2337070300 BCMXXOVHCIZARB-PTRXPTGYSA-N 451.984 4.600 50 10 JJGE CC1(C)CC[C@@H](Br)CN1C(=O)c1ccc(Cl)cc1I 2340066522 ROORYXFMPWBQBP-SECBINFHSA-N 456.549 4.723 50 10 JJGE CCc1cc(Br)c(OC)c([C@@H](Cl)c2cnn(C)c2I)c1 2381248672 YOQPMCVIHCYCKG-GFCCVEGCSA-N 469.548 4.686 50 10 JJGE Cc1cccc(C[C@@H]2S/C(=C(\C#N)C(=O)NCCc3ccccc3)N(c3ccc(F)cc3)C2=O)c1 1888907 INLNTABMIMQIFQ-CHTIKVTKSA-N 485.584 4.919 50 10 JJGE C[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NN(c1ccccc1)c1ccccc1 3144091 QMOHCUCKYNLVMD-IBGZPJMESA-N 468.513 4.520 50 10 JJGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl 10683425 CIBGWBPFDJWIBJ-OXQOHEQNSA-N 459.974 4.577 50 10 JJGE Cc1ccc(CNC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)cc1 39850246 QXKNAHIDWAERNT-LPYMAVHISA-N 462.509 4.800 50 10 JJGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 40812518 BYAPFEDNRBSOSW-NDZAJKAJSA-N 456.477 4.998 50 10 JJGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)CCC3)c1C 40812983 KDLKESDJFKFNPL-NHFJDJAPSA-N 460.490 4.836 50 10 JJGE O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cc(Br)ccc1O 59433234 YNCOLNOXYPBXKP-ZVBGSRNCSA-N 464.659 4.740 50 10 JJGE CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OS(=O)(=O)c1ccccc1 59536090 UUDFGHSGZOXHON-RGEXLXHISA-N 450.472 4.825 50 10 JJGE CCCOc1ccccc1/C=C\C(=O)Oc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1OC 207004204 OMZDBVVDMMQCAS-OAFFJFCHSA-N 486.524 4.919 50 10 JJGE C[C@H]1CCC[C@@](CCl)(NC(=O)c2cc(Br)ccc2I)C1 235628067 ADRLXQAFZRHZNB-ZUZCIYMTSA-N 470.576 4.971 50 10 JJGE COc1ccc(C(=O)Nc2cccc(C(C)=NNC(=O)c3cccc(Br)c3)c2)cc1 252632437 VTIVNPJOEATDKE-UHFFFAOYSA-N 466.335 4.864 50 10 JJGE O=C(COc1ccc(Br)cc1)NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1 254304671 ZWNLLJBQQFESIG-UHFFFAOYSA-N 475.346 4.831 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2C[C@@H]3CCCC[C@@H]3O2)CC1 380827239 RJVCFFIAPZDCMU-ULQDDVLXSA-N 479.399 4.555 50 10 JJGE COc1csc([C@@H](Br)c2cc(I)cc3c2OCC3)c1 388658776 NUIIQYDWTNMBQU-ZDUSSCGKSA-N 451.123 4.781 50 10 JJGE Cn1ncc([C@H](Cl)c2cc(Cl)c(Br)s2)c1I 393601536 UFBLHKYODHYHOR-ZETCQYMHSA-N 451.942 4.830 50 10 JJGE O=C(CBr)c1c(Br)ccc(C(F)(F)F)c1I 575694556 HZDKMLSPCOSJMM-UHFFFAOYSA-N 471.836 4.650 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2C[C@H]2C(C)(C)C)CC1 705828857 SECPOPWUKNGGIS-LSDHHAIUSA-N 451.389 4.890 50 10 JJGE C[C@@H]1CCC[C@@](CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)(N(C)C)C1 727727771 GMDKYOWUWXPAQC-HWAZEPTQSA-N 479.028 4.651 50 10 JJGE CCOc1ccc(C(=O)NN=Cc2cc(C)n(-c3ccccc3I)c2C)cc1 1084396402 AQECQIAVOHSPPB-UHFFFAOYSA-N 487.341 4.861 50 10 JJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1ccc(O)cc1 1084586190 DTCULJVNKDUISO-UHFFFAOYSA-N 478.140 4.600 50 10 JJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)c1 1865692258 KPRIKPWITXDPNI-DEOSSOPVSA-N 482.515 4.973 50 10 JJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865698033 ILGXGOALXKZVBP-HXUWFJFHSA-N 469.328 4.731 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1ccccc1C(=O)O 1865704016 KXDGCABGRDFOEO-INIZCTEOSA-N 474.826 4.520 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)ccc1O 1865705711 CTVKGJVVNQSABV-QHCPKHFHSA-N 468.488 4.670 50 10 JJGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865708081 NQWARLYLCHTQJX-QFIPXVFZSA-N 464.953 4.773 50 10 JJGE CCC[C@H](NC(=O)[C@@H](c1ccc(OC)c(OC)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866983238 QSMSXIDBYCIQEP-NZQKXSOJSA-N 469.607 4.940 50 10 JJGE CCn1cc(Br)c(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)n1 2010560260 BLCCFTGXZLUJPE-MRXNPFEDSA-N 457.210 4.727 50 10 JJGE CCCN(CCCBr)C(=O)c1cc(I)ccc1Br 2032093405 FEVQCYHNLVGSEW-UHFFFAOYSA-N 488.989 4.691 50 10 JJGE O=C(c1csc(I)c1)N1CCC[C@@H]2CC[C@H](Br)C[C@@H]21 2110689039 HGESNLANUCCFFG-USWWRNFRSA-N 454.171 4.521 50 10 JJGE CC(C)(C)OC(=O)NC1CC(C[S@@](C)(=O)=NCC2(CBr)CCCCC2)C1 2115609490 KFSITMOGRYUTQU-JFABZJLCSA-N 451.471 4.733 50 10 JJGE CC[C@]1(CBr)COCCN1Cc1cc(Br)ccc1Br 2118519142 GUAZUOLHPDAIQM-AWEZNQCLSA-N 456.016 4.588 50 10 JJGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@@H]1C[C@@H](Br)C2 2142281899 WITPOUBRTYOZLU-RTCCRHLQSA-N 498.984 4.584 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]([S@@](C)(=O)=NC[C@@H](CBr)c2ccccc2)C1 2163059590 URHKXKJMTAZIJE-DLEQGYHRSA-N 459.450 4.662 50 10 JJGE Cn1ncc(CC(CBr)(CBr)c2ccccc2F)c1Br 2173259015 YTUPCCPLCFBMOU-UHFFFAOYSA-N 468.990 4.592 50 10 JJGE FC(F)(F)[C@@H]1CN(Cc2ccccc2)CCN1c1nc2sccn2c1CBr 2186711570 KAOBGMKDJMZQNS-HNNXBMFYSA-N 459.335 4.544 50 10 JJGE CCCc1nc(-c2ncc(Br)cc2Br)nc(O)c1CBr 2187321991 FSMDZGOHKHWIAB-UHFFFAOYSA-N 465.971 4.617 50 10 JJGE O=C(NC[C@]1(CCl)C[C@@H]1C(F)(F)F)c1cc(Br)sc1Br 2192571746 DXUYFONZRWUBOP-QUBYGPBYSA-N 455.521 4.810 50 10 JJGE CC(C)(C)OC(=O)NCC1CC([S@](C)(=O)=NC[C@@H](CBr)c2ccccc2)C1 2192628660 ZBRBKYQCCQHBRR-CPKGILERSA-N 459.450 4.566 50 10 JJGE Cc1ccc(C(=O)N2CCCC[C@H]2C[C@@H](C)Br)cc1I 2232830580 ZHRRBSHWMGUSDD-OCCSQVGLSA-N 450.158 4.768 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1C[C@@H](Br)CC12CCCC2 2241030523 LYFQCMPANHBWKJ-JTQLQIEISA-N 468.560 4.867 50 10 JJGE Cc1ccc(CCOC2(CI)CCN(C(=O)OC(C)(C)C)CC2)cc1 2263394045 GGWTYZZWJPXIGB-UHFFFAOYSA-N 459.368 4.759 50 10 JJGE N#CC(C(N)=O)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 2296507179 XIAIROJPQBTZAC-MRXNPFEDSA-N 497.201 4.667 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cc(Br)ccc2O)sc2c1CCCC2 2296818120 MYSIQJCJMNYNJQ-UHFFFAOYSA-N 475.364 4.817 50 10 JJGE C[C@@H](NC(=O)C(C#N)=CN1CCN(c2cccc(Cl)c2)CC1)C12CC3CC(CC(C3)C1)C2 2324904455 LTGZCCIOSUVTCS-DKERFCRFSA-N 453.030 4.591 50 10 JJGE BrC[C@]1(Cc2ccc(I)c(Br)c2)C[C@@]12CCOC2 2325236834 LHCJKQKMIWGGLV-KGLIPLIRSA-N 485.985 4.788 50 10 JJGE O=C(c1c(Br)cccc1Br)N1[C@H]2CC[C@H](C2)[C@H]1CBr 2330982788 GQIQKKWBBTZKLB-VDDIYKPWSA-N 451.984 4.600 50 10 JJGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)CC1=O 2331346757 IPWNQXVUUJHLHP-HNNXBMFYSA-N 484.537 4.924 50 10 JJGE O=S1(=O)CCC[C@@H]1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2335372021 RTYYJOQRFOYNID-GMSGAONNSA-N 454.970 4.908 50 10 JJGE Cc1ccc(I)c(C(=O)NCC(C)(C)[C@@H](Br)C(C)C)c1 2365866211 FWYQIPXSVMLVJB-AWEZNQCLSA-N 452.174 4.775 50 10 JJGE COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 1814003 VTOBSFXQLXRLHW-JWGURIENSA-N 458.562 4.695 50 10 JJGE CC(C)(C)c1ccc(C(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1 9779803 JPQRFWQMEOLUAC-UHFFFAOYSA-N 474.182 4.893 50 10 JJGE COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cccc(F)c2)c(OC)c1 33555552 KVBZEAIFFGAPSY-YVLHZVERSA-N 491.431 4.516 50 10 JJGE COc1cc(/C=C(/C#N)c2ccccn2)ccc1OCC(=O)Nc1ccc(Br)cc1 35152490 HFJSRDKRJBRUGB-ATVHPVEESA-N 464.319 4.934 50 10 JJGE Cc1c(C(=O)NNc2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812902 BLUOIAHVBWFCMM-NLRVBDNBSA-N 481.350 4.578 50 10 JJGE C#CCOc1c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1CC=C 58895238 ILOAXRDJOMLBLN-MFSPXNBESA-N 499.405 4.552 50 10 JJGE CC(C)(C)OC(=O)[C@H](CCI)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 96031418 TUSGWQNIRRDKDI-LBPRGKRZSA-N 485.359 4.694 50 10 JJGE in-vitro CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 101341188 FRZZSBOWRHJRQX-SRZZPIQSSA-N 499.350 4.728 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCCOc1cccc(C)c1 206399894 KVNVBGXPEXVFKG-ULJHMMPZSA-N 484.552 4.992 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1C(C)(C)C 206406288 ZLYYOVRFFMVGQU-ZHZULCJRSA-N 488.540 4.793 50 10 JJGE CCN(/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 216495103 YMICWIDDLVCEOW-RWEWTDSWSA-N 450.586 4.854 50 10 JJGE O=C(NC[C@@H]1CCCC[C@H]1CBr)c1ccc(I)c(Cl)c1 232349480 BWVQICPAKPHBPF-RYUDHWBXSA-N 470.576 4.876 50 10 JJGE O=C(NC[C@H]1CCCC[C@@H]1Br)c1cc(Cl)ccc1I 236065888 CIAOZMJOCFWKAD-SKDRFNHKSA-N 456.549 4.628 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3sccc3C)n2-c2ccc(OC)cc2)cc1 254381069 HJNOJXNNHJTBNH-UHFFFAOYSA-N 493.614 4.564 50 10 JJGE CCN(CCc1ccccn1)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 746831959 DGIYJDCJUFRFTI-SILNSSARSA-N 458.953 4.510 50 10 JJGE C=CCc1cc(CNC(=O)NNc2ccc(Br)cc2Cl)cc(OC)c1OC 1630469296 RAUOLUIGQSAULQ-UHFFFAOYSA-N 454.752 4.675 50 10 JJGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697630 YLYIKHRLKDVGEW-HSZRJFAPSA-N 462.525 4.647 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(OC)c1)C(C#N)=C(N)O2 1865705752 DSTBNTFEXDFQJU-FQEVSTJZSA-N 481.350 4.520 50 10 JJGE N#C/C(=C(/O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2cccc3ccccc23)cs1 1872752200 RDLZEZWODPURRO-XDOYNYLZSA-N 482.477 4.960 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CC[C@@H]2C[C@H](Br)CC[C@H]21 2143971457 GAFYVFQBRYXBMT-GPCCPHFNSA-N 468.560 4.723 50 10 JJGE O=C(c1cc(I)ccc1Br)N1[C@H]2CCC[C@H](Cl)[C@H]1CC2 2154100210 IYEMWGFPDKOODC-LEWSCRJBSA-N 468.560 4.818 50 10 JJGE C[C@@H]1OCCO[C@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272728150 JIMJQKGZABUMML-RBRSSROYSA-N 464.926 4.730 50 10 JJGE O=C(c1c(F)cccc1I)N(CCBr)Cc1cccs1 2282785510 VDSLPVAXMIMIEM-UHFFFAOYSA-N 468.129 4.529 50 10 JJGE CC1(NC(=O)Cc2cc(Br)cc(Br)c2)CCC(Br)CC1 2295310179 TUJFDKLNXCBEMZ-UHFFFAOYSA-N 468.027 4.967 50 10 JJGE COc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1Br 2297551475 MTAFMBFXBVXARQ-UHFFFAOYSA-N 495.127 4.983 50 10 JJGE C[C@H]1CO[C@](CBr)(Cc2ccc(I)c(Br)c2)C1 2306226911 KMCWJNMDLNSUDY-RNCFNFMXSA-N 473.974 4.786 50 10 JJGE C=CCOc1ccc(-n2c(C)cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1 2313566868 CDSFSHFGKPNAON-UHFFFAOYSA-N 466.585 4.915 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)C=Cc1ccc(C)cc1 2314737070 KFZOZJUFAUAIPN-UHFFFAOYSA-N 452.510 4.846 50 10 JJGE CCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NC(C)C)cc2OC)cc1 2314740770 MXFXPSHEROCZGB-UHFFFAOYSA-N 462.546 4.924 50 10 JJGE COc1ccc(Br)c(C(=O)N[C@H](CCBr)COCc2ccccc2)c1 2320361473 NTGSJVUYSSSZEZ-OAHLLOKOSA-N 471.189 4.558 50 10 JJGE BrC[C@@]12CC[C@@H](C1)N(Cc1ccc(I)c(Br)c1)C2 2325229042 LOCMEZBYTZTWJQ-SMDDNHRTSA-N 485.001 4.803 50 10 JJGE CC(C)(C)C[C@@H](Br)CNC(=O)c1ccc(Cl)cc1I 2340056043 VUZZLKHDIFKDNH-SECBINFHSA-N 458.565 4.874 50 10 JJGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Br 14644170 DZPINKZJALUDFN-KGLIPLIRSA-N 483.790 4.610 50 10 JJGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(OC)ccc1OC 38659966 OCLBIPOOLZIVSO-AREMUKBSSA-N 486.524 4.930 50 10 JJGE Cc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(Br)cc1F 58890681 XGSSOMYTWRPYJO-DHNPSKQRSA-N 472.358 4.960 50 10 JJGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)C(C)(C)CCCOc2cc(C)ccc2C)c(C)c1 66201409 LJBMQLWOIBZKPV-UHFFFAOYSA-N 467.610 4.672 50 10 JJGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 210035002 QANMGQICBRDMEP-HAHDFKILSA-N 469.522 4.649 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CCC[C@@H]1CCCBr 236065156 KBVODSXGUMYFMB-NSHDSACASA-N 456.549 4.724 50 10 JJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc(C)cc2)cc1 254760665 ZPXGAJDFWGRQDN-UHFFFAOYSA-N 468.509 4.905 50 10 JJGE CCOc1cc(C=NNC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(C)cc1 254870715 FKMVKDMODDDRPO-UHFFFAOYSA-N 460.530 4.759 50 10 JJGE C=CCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OCC)c2)c(OC)c1 263631464 NHRWCNUNRLOYPZ-UHFFFAOYSA-N 488.540 4.571 50 10 JJGE O=C(N[C@@H]1CCC[C@@H](CCl)C1)c1ccc(I)c(Br)c1 721620306 OAAKRBZSBMLQNK-MWLCHTKSSA-N 456.549 4.581 50 10 JJGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccccc1Cl 1084349793 PHBMWYJBAILLIL-QFIPXVFZSA-N 452.938 4.892 50 10 JJGE Nc1cc(C(F)(F)F)ccc1[C@@H]1CN(Cc2ccccc2)C[C@H]1CI 1614640002 DLBYSYGCLSMGRW-RHSMWYFYSA-N 460.281 4.938 50 10 JJGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1cccc(Br)c1 1865684221 NRAHMKQYIAJDND-LJQANCHMSA-N 465.351 4.949 50 10 JJGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)cc1OC 1865696533 GZZWGSKASSAFHO-HSZRJFAPSA-N 474.561 4.984 50 10 JJGE Cc1sc(C(=O)N[C@H](CCBr)COCc2ccccc2)cc1Br 1902792936 PVNKHMMNBGNBPG-CQSZACIVSA-N 461.219 4.919 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@@H](CBr)C2(CCC2)C1 1914491300 HSDYNRODQOLNJN-SNVBAGLBSA-N 466.011 4.849 50 10 JJGE CN(C[C@@H](Cl)COCc1ccccc1)S(=O)(=O)c1cc(Cl)c(Br)s1 1916365027 RYQXTFAGTZXGGU-GFCCVEGCSA-N 473.241 4.609 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H](Br)[C@H](C2CC2)C1 2030221291 OJCPJLGIDJRPMK-CBAPKCEASA-N 458.013 4.519 50 10 JJGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc(CCl)sc1Br 2034734869 NAPSNVQWMGZBEI-UHFFFAOYSA-N 466.850 4.867 50 10 JJGE O=C(N[C@@H]1CC[C@@H]2C[C@@]21CBr)c1cc(Br)c(Br)s1 2068355845 USHARZKXYMZKKU-AKGNYGMASA-N 458.013 4.567 50 10 JJGE C=CCC[C@@H](CBr)NC(=O)c1cc(I)ccc1Br 2075330660 QTGZMKPOWDQYKA-JTQLQIEISA-N 486.973 4.513 50 10 JJGE CC(C)(C)[C@@H](Br)CNC(=O)c1ccc(Br)cc1I 2086148432 AHAJNLDTXHPVND-NSHDSACASA-N 488.989 4.593 50 10 JJGE CN([C@@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CCl)c(Br)c1 2100208662 WOSTVZZWWCVCHA-RTBURBONSA-N 458.805 4.556 50 10 JJGE COc1ccc([C@H](Cl)c2cc(I)sn2)c(OC)c1Br 2120031747 KGFHBTJDSKKTTQ-NSHDSACASA-N 474.545 4.856 50 10 JJGE C[C@@H](CCCCCI)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 2174527477 SPDWWHCDTWVURN-JTQLQIEISA-N 450.169 4.656 50 10 JJGE Cc1nc2c(cc1Br)nc(CCCl)n2C[C@H]1CC1(Br)Br 2233037696 CMJCKJHLLCGNLX-MRVPVSSYSA-N 486.433 4.790 50 10 JJGE CC(C)CO[C@H]1[C@@H](Oc2cc(I)ccc2Cl)C[C@H]1Br 2272638799 JAYPKZCJFLZWDJ-DDTOSNHZSA-N 459.549 4.900 50 10 JJGE C[C@H](Br)[C@@H]1CCCN1C(=O)Cc1cc(Br)cc(Br)c1 2277925796 GMUHPCZYBSZIMZ-ZANVPECISA-N 454.000 4.529 50 10 JJGE COc1cc(C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314616668 GUDKCQZMOIFXDG-UHFFFAOYSA-N 460.505 4.948 50 10 JJGE CCN1C(=O)COc2ccc(C(C)=NNC(=O)c3ccc(-c4ccc(Cl)cc4)nc3C)cc21 2321260927 YNXDWZAZMMFXAB-UHFFFAOYSA-N 462.937 4.610 50 10 JJGE CCOc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1Cl 2322975063 IIFRSXSNCJYZIJ-UHFFFAOYSA-N 453.882 4.990 50 10 JJGE O=C(NN=Cc1ccccc1C(F)(F)F)c1ccc(Nc2nc(O)c3ccccc3n2)cc1 2323766578 UNHXNGQBENIHPJ-UHFFFAOYSA-N 451.408 4.862 50 10 JJGE C[C@H]1CC[C@@H](CBr)N(C(=O)c2ccc(Cl)cc2I)C1 2340066795 UVBBQTUDCQBBOD-ONGXEEELSA-N 456.549 4.580 50 10 JJGE C[C@@H]1COc2ccc([C@H](Br)c3c(Br)c(Br)nn3C)cc21 2364227916 GGEFCZCUXLINTI-HQJQHLMTSA-N 464.983 4.925 50 10 JJGE CC(C)[C@@H](Br)C(C)(C)CNC(=O)c1ccc(F)cc1I 2366006237 BSIJKZPWTQYDFN-CYBMUJFWSA-N 456.137 4.606 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(C)cc2Br)cc1 14025446 BWKAZTHSZGBWHV-UHFFFAOYSA-N 463.372 4.557 50 10 JJGE CCOc1cc(/C=N/NC(=O)[C@@H](C)Sc2nc3ccccc3s2)cc(Br)c1O 20175522 SPGIEKVGFUBBJR-OHBSIKEHSA-N 480.409 4.794 50 10 JJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)c(C)c1 38602895 QTTPGXLTPWOKSM-BUVRLJJBSA-N 464.525 4.635 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)c(OC)c1 38656775 IHTSWDWFBZLTGU-HSZRJFAPSA-N 462.889 4.795 50 10 JJGE Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)C(=O)Nc1ccccc1Cl 39858893 GJVKQSGCGHZZOT-VKAVYKQESA-N 456.889 4.994 50 10 JJGE CC(=O)Nc1ccc(OCCOc2ccc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)cc2)cc1 96467370 BBDKEASBIZDAJJ-SILNSSARSA-N 459.477 4.788 50 10 JJGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(F)c2)C1=O 214352344 RJHRULYABQXJNN-HMAPJEAMSA-N 482.515 4.855 50 10 JJGE O=C(NN=Cc1cc([N+](=O)[O-])cc(Br)c1O)[C@H]1CC1(c1ccccc1)c1ccccc1 252603469 FRYBIOZEBCJIKX-LJQANCHMSA-N 480.318 4.519 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(Br)c(O)c2)[C@@H](CI)C1 383466318 IYUTVJJKRKPNKM-NWDGAFQWSA-N 482.156 4.540 50 10 JJGE O=C(NCc1ccco1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238236 QZUMFHNNQGLNSF-GOSISDBHSA-N 456.873 4.989 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)NCc2cccc(Cl)c2)c(-c2ccc(Cl)cc2)n1 817991874 AMTYKWUHRXVOAL-LDADJPATSA-N 450.329 4.994 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2ccc([N+](=O)[O-])c(F)c2)[C@@H](CI)C1 1614632313 HEXHQJMRUVZKTN-JKSUJKDBSA-N 484.265 4.521 50 10 JJGE CCN(CC)c1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)c(O)c1 1614703868 JALSHMUOJSZGOM-RXVVDRJESA-N 464.391 4.889 50 10 JJGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNC(=O)c1cccnc1)CCC2 1772746633 XONHLLDZPLWJSE-UHFFFAOYSA-N 479.540 4.937 50 10 JJGE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@H](C)C2CCCC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867017196 JUKAQELXCMBIKU-MZNJEOGPSA-N 479.602 4.677 50 10 JJGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cccs3)cs2)CC1=O 1872750366 HOTIEQLCAWEMPM-NSPLTWOJSA-N 451.529 4.504 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@H](Br)CC2(CC2)C1 1926029543 JHCCJVFUZVENQW-SNVBAGLBSA-N 451.984 4.601 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H]2C[C@H]1CC[C@H]2Br 2032958691 KEQXRXOEYUETAI-ZXFLCMHBSA-N 458.013 4.661 50 10 JJGE CC(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1csc(Br)c1Br 2062182984 LKCOWSQBHFUZPW-WCBMZHEXSA-N 460.029 4.907 50 10 JJGE CCn1ncc(Br)c1COc1ccc(Br)cc1CBr 2094301705 RMZLDOZBFDAKAY-UHFFFAOYSA-N 452.972 4.902 50 10 JJGE CC(C)(C)OC(=O)N1CC[S@@](=O)(=NCC2(CBr)CCCCC2)C(C)(C)C1 2132805300 VEQRYJDTBVSRQT-SANMLTNESA-N 451.471 4.829 50 10 JJGE CC1(C)C[C@H](Cl)CCN1C(=O)c1ccc(Br)cc1I 2142289159 XMSVTRLELVOUPY-SNVBAGLBSA-N 456.549 4.676 50 10 JJGE O=C(NC1(CBr)CC2(CCC2)C1)c1cc(Cl)ccc1I 2163542229 NUIJHUHAEQRCAN-UHFFFAOYSA-N 468.560 4.772 50 10 JJGE CC(C)(C)OC(=O)NCC[S@@](=O)(=NC[C@@H](CBr)C1CCC1)c1ccccc1 2163652074 QCCXPNGDQNATKQ-CRYYWNKWSA-N 459.450 4.849 50 10 JJGE CN(C(=O)c1cccc(F)c1I)[C@H]1CCCCC[C@H]1Br 2172538475 DSITYMATRIAOEN-YPMHNXCESA-N 454.121 4.599 50 10 JJGE CN([C@@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(F)c(Cl)c(CBr)c1 2179861725 LSCHRPDODNMRDH-QZTJIDSGSA-N 476.795 4.742 50 10 JJGE O=S1(=O)C[C@@H]2CCC[C@]2([C@@H](Br)c2cc(Br)ccc2Br)C1 2201883034 QZKLFPQCZZPQPJ-HERUPUMHSA-N 487.051 4.863 50 10 JJGE CN(C(=O)Cc1cc(Br)cc(Br)c1)[C@H]1CCCC[C@H]1Br 2295307961 RAQQERUBLDIMAN-KGLIPLIRSA-N 468.027 4.919 50 10 JJGE C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 2328818720 WJJOBVNEBWRGJI-AWEZNQCLSA-N 466.365 4.936 50 10 JJGE O=S1(=O)CC[C@@H]([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)C1 2335369851 WIASRFAQUPGOLR-MLUIRONXSA-N 454.970 4.766 50 10 JJGE CC[C@]1(C)[C@@H](Br)CCN1C(=O)c1ccc(Cl)c(I)c1 2336757066 SLVOLDSVJZQDBS-GXTWGEPZSA-N 456.549 4.723 50 10 JJGE Clc1ccc(CN2C[C@H]3CC(Br)C[C@@H](C3)C2)cc1I 2338879961 ZIQICLRSKGJMHQ-VXGBXAGGSA-N 454.577 4.940 50 10 JJGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](CC)Oc2ccccc2[C@H](C)CC)cc1 10683781 WCHYGDUSVCRIJQ-XMSQKQJNSA-N 453.583 4.947 50 10 JJGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 14033127 ULDPNLIJCOZWMR-IBGZPJMESA-N 493.629 4.902 50 10 JJGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccc([C@@H](C)CC)cc2)cc1Br 14041298 IBMSGDIAVQSEGR-INIZCTEOSA-N 477.399 4.982 50 10 JJGE C/C(=N\NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1ccc([N+](=O)[O-])cc1 33911103 XHQNIFHRZMAWPZ-KGENOOAVSA-N 473.605 4.680 50 10 JJGE CN(C)c1ccc(/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 34861362 XHGFQOUMBOLWQS-QLYXXIJNSA-N 450.586 4.593 50 10 JJGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1ccccc1C(F)(F)F 40701839 SGFIBGKPFABSCQ-UHFFFAOYSA-N 487.269 4.650 50 10 JJGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccccc1)CCC2 40815980 GGPUUZTWRZYRRU-MTDXEUNCSA-N 481.936 4.738 50 10 JJGE O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 59157030 RJOAOBVNTFQRJN-TVKQRKNISA-N 490.519 4.794 50 10 JJGE Cc1cc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)ccc1F 382682802 DBLKWSLWPQGOJV-QZTJIDSGSA-N 453.295 4.921 50 10 JJGE Nc1cc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)ccc1Cl 382708357 GCPFDTDKYIMLBX-JKSUJKDBSA-N 470.738 4.709 50 10 JJGE C[C@H]1CC[C@@H](CBr)CN1C(=O)c1cc(Br)cc(Br)c1 688706985 VDIHQJFPANWFPQ-UWVGGRQHSA-N 454.000 4.847 50 10 JJGE BrCc1cc(Br)cc(Br)c1OCCCO[C@@H]1CCOC1 699529671 GJWGHNWFQMCULR-GFCCVEGCSA-N 472.999 4.681 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2C[C@H]2C(C)(C)C)C1 703464841 SPLHJLZFPQNVAD-SPYBWZPUSA-N 451.389 4.890 50 10 JJGE COC1CCN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 725238555 MNNZKHWEXDFQHF-LJQANCHMSA-N 474.932 4.717 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)NCC2(N3CCCCC3)CCCCC2)c(-c2ccccc2)n1 731185061 CNMRBJFMJLFOAI-LYBHJNIJSA-N 470.621 4.676 50 10 JJGE CSc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2ccc(F)cc2)c2ccc(C)cc2)cc1 1084189678 FTYSHKNKHLASOI-UHFFFAOYSA-N 485.606 4.592 50 10 JJGE CC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)c3cccc(Br)c3)cc2)cc1 1361081553 JLGJEXQTVXZEOO-UHFFFAOYSA-N 453.292 4.519 50 10 JJGE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NNC(=O)Nc1ccc(Br)cc1 1633798205 BYESBVRKEQPMOS-KHPPLWFESA-N 458.234 4.604 50 10 JJGE CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNC(=O)c1sc2cc(F)ccc2c1Cl 1654208767 GSVKSRLSWWNPBJ-UHFFFAOYSA-N 458.898 4.955 50 10 JJGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1c(F)cccc1Cl 1865709551 CKNUEYBZCBTIAI-QGZVFWFLSA-N 478.833 4.969 50 10 JJGE Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 1865845156 LWXFIQJSWBBEBI-CYBMUJFWSA-N 464.374 4.578 50 10 JJGE Cn1ncc([C@@H](Cl)c2sc(Cl)cc2I)c1Br 1900919393 MQWXVZBZCOTYLF-SSDOTTSWSA-N 451.942 4.830 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@H](Br)CC2(CC2)C1 1926001922 CGCXXFACEJQEHE-SECBINFHSA-N 451.984 4.601 50 10 JJGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1nn(C)c(Cl)c1Br 2001991440 LWOMGPNBXPJAPU-CYBMUJFWSA-N 477.628 4.898 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCC2CC3(C2)CC32CC2)C1 2072212536 HYQPXDMYHQQADI-RGKRWLCDSA-N 461.384 4.788 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CCCC[C@H]1CCBr 2094087557 ASFFQMFLIMHNSF-JTQLQIEISA-N 454.000 4.991 50 10 JJGE CC[C@@H](Br)CN(CC)c1ncc(C(F)(F)F)cc1I 2106613529 BBYUCUPTCRNFDF-SECBINFHSA-N 451.068 4.705 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NC[C@H](CBr)CC2CC2)C1(C)C 2112868652 LTLVNTMEHHTFHA-YPUXHCPYSA-N 451.471 4.589 50 10 JJGE CC1(C)[C@@H](Cl)CC[C@@H]1NC(=O)c1ccc(I)c(Br)c1 2142125125 DLTHVYMKKKQMRM-RYUDHWBXSA-N 456.549 4.580 50 10 JJGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N(C)[C@H]1CC[C@@H]1OCc1ccccc1 2156445891 YXFWSBWADRTZRD-OALUTQOASA-N 472.832 4.865 50 10 JJGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cnn(CCCBr)c1 2179790233 ASVTUGPLZBKDSQ-INIZCTEOSA-N 468.442 4.682 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C(C)C)c(C)c2)c(OC)c1 2314785138 SCVKNUUWNYIQFW-UHFFFAOYSA-N 464.562 4.935 50 10 JJGE N#CC(=CNc1c(F)cccc1F)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324605356 NXNWZTVPJGBXQU-UHFFFAOYSA-N 458.512 4.718 50 10 JJGE COc1ccc([C@@H](C)NC(=O)C(C#N)=CN(Cc2ccccc2)Cc2ccccc2)cc1OC 2325045326 WQQGSHRZBSEFTF-OAQYLSRUSA-N 455.558 4.991 50 10 JJGE CC(C)[C@@H]1C[C@H](Cl)CN1C(=O)c1cc(I)ccc1Br 2344767472 FWPRGBCCKNWVIP-ZANVPECISA-N 456.549 4.532 50 10 JJGE O=C(NCC(F)(F)C(F)(F)CI)c1cc(Br)ccc1Cl 2361679197 JNESCDKXVXZROE-UHFFFAOYSA-N 488.444 4.538 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2CCOc3ccc(F)cc32)CC1 2364438223 OQTILDPXZDMVJD-KRWDZBQOSA-N 491.341 4.871 50 10 JJGE O=C(NCC1CCC(CBr)CC1)c1ccc(Cl)cc1I 2365597708 JMJKNMAZYIFPPL-UHFFFAOYSA-N 470.576 4.876 50 10 JJGE CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Oc1ccccc1Br 20177053 BOCXAHHXVGHFQW-OVMKCGGTSA-N 470.161 4.528 50 10 JJGE C#CCOc1cc(Br)c(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1OCC 33888585 WJRSWHHLZKDDBH-LZYBPNLTSA-N 475.346 4.868 50 10 JJGE C[C@@H](C(=O)N/N=C/c1ccc(C(C)(C)C)cc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 35582932 COVMRBXYDQVYER-XHGDVQFGSA-N 450.608 4.592 50 10 JJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)c1 38659837 SENZLEZYSGFOMY-SANMLTNESA-N 486.524 4.928 50 10 JJGE O=C1Cc2cc([C@@H](Br)c3ccccc3I)c(Cl)cc2N1 40289568 SPLUTZHKXJLMAV-HNNXBMFYSA-N 462.512 4.924 50 10 JJGE Cc1c(C(=O)N2CCCCCC2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812891 WRGCAHLPLFBMFM-XIEYBQDHSA-N 472.383 4.837 50 10 JJGE Cc1noc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C/c3ccc(C(C)C)cc3)cc2)c1C 40858761 HLBHCOLWZHTYQW-DEDYPNTBSA-N 464.547 4.761 50 10 JJGE O=C(CCCc1ccccc1)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 59166142 PHNXTFYWFKTALT-OLFWJLLRSA-N 494.364 4.978 50 10 JJGE N#C[C@@H](C(=O)Cc1ccccc1[N+](=O)[O-])[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102697114 DEEATIJWCRTHSZ-NDEPHWFRSA-N 465.469 4.593 50 10 JJGE O=C(N/N=C/c1ccc(OCCCc2ccccc2)cc1)c1cc(-c2ccccc2)nc(O)n1 169923153 ULPAQLOTVLJFIG-TURZUDJPSA-N 452.514 4.625 50 10 JJGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2OC)cc1OCC 206510253 VAAQFVHSZOEVRU-IXDZKQDKSA-N 478.545 4.543 50 10 JJGE O=C(NCC1CCC(Cl)CC1)c1cc(Br)ccc1I 227772192 AEYJHOOGSPWZMM-UHFFFAOYSA-N 456.549 4.581 50 10 JJGE CC(C)n1ncnc1COc1c(Br)cc(CBr)cc1Br 232791802 XZMMEFPKGOCERG-UHFFFAOYSA-N 467.987 4.858 50 10 JJGE CCc1ccc(NC(=O)C(=O)NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 254321175 YRUMNSYJOMDSBX-UHFFFAOYSA-N 465.509 4.710 50 10 JJGE CCOc1cc(C=NNC(=O)CSCc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 254405373 UXUBWCQUXQTAPQ-UHFFFAOYSA-N 479.558 4.956 50 10 JJGE O=C(N[C@@H]1CCC[C@H](CBr)C1)c1ccc(I)c(Cl)c1 388120101 JREXSXCJIIIWNL-GXSJLCMTSA-N 456.549 4.628 50 10 JJGE Cc1c(Cl)cccc1NC(=O)COC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 761409120 BJHLKYIZQLHJDZ-UYRXBGFRSA-N 473.920 4.514 50 10 JJGE CCCOc1c(Br)cc(Br)cc1/C=C(/C#N)C(=O)NCc1ccco1 915843221 DSHQULWHOILXHT-QPEQYQDCSA-N 468.145 4.817 50 10 JJGE CC1=C(C(=O)NN=Cc2ccc(Cl)cc2Cl)[C@@H](c2ccc(Br)cc2)NC(=S)N1 1084031257 AYVJFGHCAZYPNL-QGZVFWFLSA-N 498.233 4.699 50 10 JJGE Cc1ccc(N(CC(=O)NN=Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 1084103818 FNYONJDAORRZGK-UHFFFAOYSA-N 490.412 4.956 50 10 JJGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 1084150585 RQQCZGSAAFUBLL-UHFFFAOYSA-N 472.328 4.670 50 10 JJGE N#C/C(=C/c1cn(CCOc2ccccc2)c2ccc(Br)cc12)C(=O)NC1CC1 1084490379 ALOBQOLLCZGWGC-VBKFSLOCSA-N 450.336 4.668 50 10 JJGE C/C(=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(=O)NNC(=O)N(C)C 1442468488 GEFLPKFVSRLQKK-SILNSSARSA-N 459.546 4.550 50 10 JJGE C=C(C)CN(Cc1ccc(CO)o1)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OC)cc2)c1C 1635188033 RQFRMNFRURYIEU-LPYMAVHISA-N 459.546 4.700 50 10 JJGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OC(=O)c2ccccc2)cc1 1865705457 WGLBRJAALFAWGM-SFHVURJKSA-N 468.435 4.749 50 10 JJGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(F)cc4F)cs3)cc2C1=O 1872818085 MGRUCJHUNNWOSB-UZYVYHOESA-N 481.480 4.671 50 10 JJGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1ccc(F)cc1Br 1916385832 IKOWQFKXVQJXJO-AWEZNQCLSA-N 459.153 4.641 50 10 JJGE Cc1c(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)c(Br)nn1C 2014540626 FIJIJUACZKVXQF-HNNXBMFYSA-N 457.210 4.553 50 10 JJGE ClCc1nc2cc(I)ccc2n1[C@@]12C[C@@H]1CN(Cc1ccccc1)C2 2038347522 WREOZLOHYUDHDC-FOIQADDNSA-N 463.750 4.611 50 10 JJGE O=C(N[C@H]1CC[C@H](CBr)CC1)c1scc(Br)c1Br 2054665598 AMQPRTNUHUKYRC-ZKCHVHJHSA-N 460.029 4.957 50 10 JJGE COc1cc(Br)c(C)cc1[C@@H](Br)c1nn(C)cc1Br 2089723689 VXAJVUYPPXMCON-GFCCVEGCSA-N 452.972 4.746 50 10 JJGE Cc1nn(C)c(Br)c1COc1cc(Br)ccc1CBr 2129300288 NAGIYJLOVRLBJO-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE CC1(C)[C@@H](Br)CC[C@H]1NC(=O)c1cc(Br)cc(Br)c1 2142137132 QCRIHULVTQHTJF-NWDGAFQWSA-N 454.000 4.894 50 10 JJGE O=C(N[C@@H]1CCCCC[C@@H]1Cl)c1ccc(Br)cc1I 2142285326 OBYSYZPLGJNCGJ-WCQYABFASA-N 456.549 4.724 50 10 JJGE Cc1cc(CCl)cc(S(=O)(=O)N(CCCN(C)C)Cc2ccccc2)c1Br 2152202632 BDJUSLDHUXVWTN-UHFFFAOYSA-N 473.864 4.639 50 10 JJGE Cc1cccc(C(=O)NCC2(CBr)CC(C)(C)C2)c1I 2158304945 RWUUEOQSOFLUST-UHFFFAOYSA-N 450.158 4.531 50 10 JJGE O=C(c1c(Br)cccc1Br)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2164664997 UGQSFTFCAKDYJH-KWBADKCTSA-N 466.011 4.990 50 10 JJGE C[C@H]1CN(C(=O)c2cc(Cl)ccc2I)CC[C@@H]1CCBr 2172471072 BYEHRSIHJZZYPD-QWRGUYRKSA-N 470.576 4.828 50 10 JJGE CCc1nn(C)c([C@@H](Br)c2ccc(OC)c(I)c2)c1Cl 2285008230 JUGCJNWDYLLRMH-LBPRGKRZSA-N 469.548 4.733 50 10 JJGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2293039114 DPDFERHLSVFSES-JOCHJYFZSA-N 477.973 4.984 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=CC(C)=Cc3ccco3)n2-c2ccccc2)cc1 2293215252 QDZDJPSNBSAJDM-UHFFFAOYSA-N 473.558 4.834 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2CC[C@H]1C[C@H]2Br 2362205626 BUHSHPUORDZSKN-DDTOSNHZSA-N 466.011 4.529 50 10 JJGE O=S1(=O)C[C@H]2C([C@H](Cl)c3c(Cl)cc(Br)c(F)c3Br)[C@@H]2C1 2362233751 AOIGRBSZPWHMCH-NWWTUURKSA-N 466.981 4.575 50 10 JJGE CCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 14032122 LJPDLEHNOMZLIG-UHFFFAOYSA-N 463.372 4.591 50 10 JJGE C=CCc1cccc(/C=N\NC(=O)CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1O 33154864 GTLDSTDBHWWUCT-ZRGSRPPYSA-N 453.848 4.662 50 10 JJGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc21 38700775 JWWLLVLHWHJHFE-KAYWLYCHSA-N 498.535 4.829 50 10 JJGE Cc1c(C(=O)OC(C)C)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40822103 GNTSNDQXARFCDS-BUVRLJJBSA-N 453.322 4.696 50 10 JJGE O=C1CCc2cc([C@@H](Br)c3ccc(I)cc3)c(F)cc2N1 109872911 IZUWMFSVBMBWQU-INIZCTEOSA-N 460.084 4.799 50 10 JJGE CCCCCOc1ccc(/C=C2\C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1OCC 214301678 AVGGDDCNMKQODI-PGMHBOJBSA-N 454.567 4.673 50 10 JJGE COc1ccc2ccccc2c1-c1cc(C(=O)NN=Cc2c(C)nn(-c3ccccc3)c2C)[nH]n1 254442280 GUGYHUBRSXGPSF-UHFFFAOYSA-N 464.529 4.805 50 10 JJGE CCOc1ccc(Br)cc1C=NNC(=O)c1cc(Br)ccc1OCC 254704512 BGXKAKKTOOKISC-UHFFFAOYSA-N 470.161 4.773 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCCCO3)c(-c2ccc(Cl)cc2)n1 818031076 BJTMJEGXXKFWPL-AQTBWJFISA-N 473.920 4.824 50 10 JJGE CCCNC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 917810796 DQIHDKAQIYQESU-HMMYKYKNSA-N 486.963 4.803 50 10 JJGE C=CCOc1c(Cl)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1Br 1084011829 JIKDIDMRWJBGBL-SFHVURJKSA-N 451.748 4.631 50 10 JJGE COc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2)CCC3)c1 1772744143 UVSHYKAKWMJGRX-UHFFFAOYSA-N 451.910 4.973 50 10 JJGE CC(C)(C)c1ccc(OCCCC(=O)NN=Cc2ccc(C(=O)O)cc2)c(Br)c1 1772755542 LREDOQKPMDNIMN-UHFFFAOYSA-N 461.356 4.754 50 10 JJGE CCCc1nn(C)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865688348 PYAOHNPLBIJNLT-DEOSSOPVSA-N 458.562 4.877 50 10 JJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1 1865708660 CANKNKNXJLSQNM-HSZRJFAPSA-N 480.499 4.742 50 10 JJGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 1873793161 ZOWQTGQLPLNIRV-WMPMWDHYSA-N 459.974 4.918 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CC[C@@]2(CCC[C@H]2Cl)C1 1918919044 APSRJTMBFOHDDC-HIFRSBDPSA-N 468.560 4.677 50 10 JJGE COc1cc(F)c(Br)cc1[C@@H](Cl)c1cc(I)sn1 2056487413 LCBJTZIKIOWCMC-LLVKDONJSA-N 462.509 4.986 50 10 JJGE Cc1cc(-n2nc(CBr)c(I)c2C(F)(F)F)c(C)cc1O 2079258508 JNNUMMPQHAPCSP-UHFFFAOYSA-N 475.046 4.713 50 10 JJGE C[C@@]1(CBr)CC(F)(F)CN1C(=O)c1scc(Br)c1Br 2102807824 WICHEHSOXRGJMW-JTQLQIEISA-N 481.982 4.908 50 10 JJGE CC(C)(C)OC(=O)N1CCC12CCS(=O)(=NC[C@H](CBr)C(C)(C)C)CC2 2106781402 HJYNMTJQATVVBR-HJXLATRASA-N 451.471 4.685 50 10 JJGE CCC[C@@H](Br)c1cn(Cc2cc(Cl)ccc2I)nn1 2121064314 NXRAXLNPFVSVNK-LLVKDONJSA-N 454.537 4.821 50 10 JJGE CC(C)[C@@H]1[C@H](Cl)CCN1C(=O)c1ccc(I)c(Br)c1 2126077236 NLMRLDRRXJPZMS-DGCLKSJQSA-N 456.549 4.532 50 10 JJGE CN(C(=O)c1ccc(I)c(Br)c1)C1CCC(CCl)CC1 2171100905 DRDAKAVGKSCEPD-UHFFFAOYSA-N 470.576 4.923 50 10 JJGE Cn1ncc(CC(CBr)(CBr)c2ccc(F)cc2)c1Br 2173258024 OEPPIZBKWCARRZ-UHFFFAOYSA-N 468.990 4.592 50 10 JJGE C[C@H]1[C@H](Br)C[C@@H](C)CN1C(=O)c1cc(Br)sc1Br 2220342547 AKHQJZOYFIUGKD-BKPPORCPSA-N 460.029 4.907 50 10 JJGE Cc1cc(F)c(CCl)c(-n2c(C)nc(I)c2I)c1 2256269172 OHHZPLFRSBZLME-UHFFFAOYSA-N 490.485 4.576 50 10 JJGE C[C@@]1(CBr)C=CCCN1C(=O)c1cc(Br)cc(Br)c1 2264384112 IDFLMEYXZPROKS-AWEZNQCLSA-N 451.984 4.767 50 10 JJGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCC)c(OC)c2)c(OCC)c1 2293190699 DZFBYQBSEADUID-UHFFFAOYSA-N 465.502 4.581 50 10 JJGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)NC[C@@H]1CCCO1 2293541177 RLIKORMCIUSBMZ-IBGZPJMESA-N 475.770 4.884 50 10 JJGE C[C@](CBr)(NC(=O)Cc1cc(Br)cc(Br)c1)C(F)(F)F 2295311473 LCJFFIRPQPRFAD-LLVKDONJSA-N 481.932 4.586 50 10 JJGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C[C@H]2CC=C(C)C[C@H]2C)c(OC)c1 2297322151 RMJITTRYQPRBOH-DENIHFKCSA-N 461.562 4.569 50 10 JJGE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cc(C)ccc2C)c1 2314532573 LMFHSTAHHCFPOQ-UHFFFAOYSA-N 450.498 4.958 50 10 JJGE COc1cccc(Br)c1C(=O)N[C@@H](CCBr)COCc1ccccc1 2320356267 JTSYDLDAJGBVCY-HNNXBMFYSA-N 471.189 4.558 50 10 JJGE ClCC[C@H]1CSCCN1Cc1ccc(I)c(Br)c1 2325215335 YBLFXPQZZRZNBG-NSHDSACASA-N 460.606 4.600 50 10 JJGE C[C@]12C[C@H](C1)[C@H](CO[C@H](CI)c1ccccc1Br)CO2 2366743852 HCIKTWXVTKHDHQ-BHTHQVBYSA-N 451.142 4.757 50 10 JJGE CC(C)[C@@H]1C[C@@H](Br)CN1C(=O)Cc1cc(Br)cc(Br)c1 2370731132 LQVZZBZXTMVQMU-KGLIPLIRSA-N 468.027 4.775 50 10 JJGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)c1ccc(-c2ccccc2)cc1 12489849 KMSLSLYVFCMTEQ-UHFFFAOYSA-N 453.336 4.573 50 10 JJGE CCc1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 12492511 WBUIKCHZNAFDJT-UHFFFAOYSA-N 473.573 4.639 50 10 JJGE C=CCOc1ccccc1C(=O)NNC(=O)c1ccc(OCCC(C)C)c(Br)c1 14645718 NJMSVKYJYPTRNG-UHFFFAOYSA-N 461.356 4.514 50 10 JJGE CC(C)Oc1ccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1Br 14658711 ZJELQBGFIWKHJL-UHFFFAOYSA-N 483.362 4.743 50 10 JJGE NNC(=O)/C(=C\c1cc(-c2ccccc2)nn1-c1ccccc1)NC(=O)c1ccc(Cl)cc1Cl 33326347 DQVNEYSRDNYTKO-HZHRSRAPSA-N 492.366 4.607 50 10 JJGE N#C/C(=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 33930210 ZKGFJPLEFVRAOE-PTNGSMBKSA-N 492.831 4.921 50 10 JJGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cccc3ccccc23)c(OC)c1 34864151 PNHJPOXCRFCKDT-OIOJCYIGSA-N 479.536 4.778 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1 38685886 QJJLXICMEMYTMY-MHZLTWQESA-N 470.525 4.905 50 10 JJGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1 38687059 HEJKBQYDCRJHAV-FTJBHMTQSA-N 468.509 4.774 50 10 JJGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811974 IUPVEWCBTRYEBM-NDZAJKAJSA-N 456.477 4.998 50 10 JJGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2 40823895 DXJJZWOJRLEWIF-OVVQPSECSA-N 454.889 4.608 50 10 JJGE CCCCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2I)cc1 100153533 BTLPQIQARIFNJU-UHFFFAOYSA-N 480.346 4.715 50 10 JJGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)NC)cc1 101240658 MFPYMNCPFMAFOI-YQPBSLOJSA-N 476.385 4.564 50 10 JJGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)Nc1ccc(C)cc1 102683326 CWMSKWXSHRQPLT-CYVLTUHYSA-N 466.497 4.658 50 10 JJGE CCC(CBr)(CBr)NC(=O)c1ccc(Cl)cc1Br 232858521 JOZLMGKIGBINJX-UHFFFAOYSA-N 462.407 4.771 50 10 JJGE CCCO[C@H]1[C@@H](Oc2cc(Br)c(OC)cc2Br)C[C@H]1Br 233240582 JRRJMNRYLWLTTG-DDTOSNHZSA-N 472.999 4.930 50 10 JJGE COc1ccc(Br)cc1[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CI 382711043 YLBFHPMQBHJZOX-RISCZKNCSA-N 496.183 4.843 50 10 JJGE COC(=O)C[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C)c1cccs1 819808376 BONBRLQGJAQSDH-QFTJCQGQSA-N 451.523 4.622 50 10 JJGE O=C(COc1ccc2ccccc2c1Br)NN=Cc1cc([N+](=O)[O-])ccc1Cl 1084131202 RIFOEGKPTPTLIM-UHFFFAOYSA-N 462.687 4.693 50 10 JJGE CC(=O)c1ccc2c(c1)N(Oc1cccnc1NC(=O)Nc1ccc(SC#N)cc1)C(=O)[C@H](C)O2 1858860940 GDHPFVOCBVTOSV-HNNXBMFYSA-N 489.513 4.609 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1O 1865682775 XHNNOFPFQSNUHL-QHCPKHFHSA-N 468.488 4.670 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)c1O 1865683669 HVJLDQDLIBPDEW-QFIPXVFZSA-N 450.498 4.531 50 10 JJGE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(OCc4ccccc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865687167 KXYNISDYGBQPIJ-VWLOTQADSA-N 494.551 4.901 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc(Br)c1O 1865688204 MZKHYIMWHPKIJB-FQEVSTJZSA-N 481.350 4.574 50 10 JJGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706048 MKMRSKOIQDXMOB-GOSISDBHSA-N 486.713 4.723 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1865709419 BSXRCXPIFXCBDJ-OAHLLOKOSA-N 461.787 4.671 50 10 JJGE Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 1865845157 LWXFIQJSWBBEBI-ZDUSSCGKSA-N 464.374 4.578 50 10 JJGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccccc4OC)cs3)CC2=O)cc1 1872747045 LKQJWKWULGTHRJ-DJUDNFEDSA-N 489.553 4.841 50 10 JJGE O=C(c1cc(Br)ccc1O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915313714 PCQUPZWMFVUUEY-KRWDZBQOSA-N 453.174 4.971 50 10 JJGE COc1sc([C@H](Cl)c2cc(I)sn2)cc1Br 1983293431 TYDYCZQORPDFRM-MRVPVSSYSA-N 450.548 4.909 50 10 JJGE O=C(c1scc(Br)c1Br)N1[C@H]2CC[C@@H]1C[C@H](Br)C2 2037423060 KODQVYDAKPCURZ-RNLVFQAGSA-N 458.013 4.804 50 10 JJGE C[C@@H]1C[C@@H](Br)CCN(C(=O)c2cc(Br)sc2Br)C1 2041568355 XHBXDFJCQVLYPV-SFYZADRCSA-N 460.029 4.909 50 10 JJGE CSCC[C@H](Cl)CCNC(=O)c1cc(I)ccc1Br 2090381636 GYNHSUBOUINSQX-SECBINFHSA-N 476.605 4.534 50 10 JJGE Cc1nn(C)c(Br)c1[C@H](Br)[C@@H](C)c1ccncc1Br 2129262873 HCUPNKUBGAIULK-JVXZTZIISA-N 451.988 4.888 50 10 JJGE CN(C1CC(OCc2ccccc2)C1)S(=O)(=O)c1cc(F)c(Cl)c(CBr)c1 2179862270 TYZOYWLMKRUTBT-UHFFFAOYSA-N 476.795 4.742 50 10 JJGE C[C@H](Cl)c1nc2cc(Br)cnc2n1C[C@@H]1CC1(Br)Br 2224803878 IKIIEKXBTUZHJU-BQBZGAKWSA-N 472.406 5.000 50 10 JJGE Cc1ccc(I)c(C(=O)N[C@H](CBr)C2CCCCC2)c1 2240922640 OCBQUVQBUSQAIA-OAHLLOKOSA-N 450.158 4.673 50 10 JJGE CS(=O)(=O)C1CC([C@@H](Br)c2sc(Br)cc2Br)C1 2248982624 HGYDAUACWZEEND-GVNUUABZSA-N 467.042 4.532 50 10 JJGE O=C(NCC[C@H]1CCC[C@H]1Br)c1ccc(Cl)c(I)c1 2268349244 ZZXWQZCJNKHVDR-MWLCHTKSSA-N 456.549 4.628 50 10 JJGE C[C@@H](Br)C[C@@H]1CCCN1C(=O)c1ccc(Cl)c(I)c1 2268352300 ZNZPNYDJWVXIED-KOLCDFICSA-N 456.549 4.723 50 10 JJGE COc1ccccc1NC(=O)C(C#N)=Cc1ccc(Oc2nc(Cl)ncc2F)c(OC)c1 2296374293 SIJUZMNLLUPJEA-UHFFFAOYSA-N 454.845 4.624 50 10 JJGE BrC[C@@H](NCc1ccc(I)c(Br)c1)C1CCC1 2306224042 MDZBMFPTYSVWCR-CYBMUJFWSA-N 472.990 4.707 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OC 2313518425 BXEOTZDDZLYOEH-UHFFFAOYSA-N 462.287 4.553 50 10 JJGE C=CCc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313567663 JXTWQTJHXHVSPE-UHFFFAOYSA-N 470.323 4.660 50 10 JJGE Cc1ccc(OCC(=O)NN=C2C(=O)N(CC=Cc3ccccc3)c3ccccc32)cc1Cl 2313649696 ZSUVXIZSVQDLAU-UHFFFAOYSA-N 459.933 4.608 50 10 JJGE CCCCCCOc1ccc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1OC 2328804133 TXAYJQMXHGNGPL-UHFFFAOYSA-N 466.534 4.598 50 10 JJGE C[C@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)CC1=O 2331335931 YSXRJDODJQFSKW-QAPCUYQASA-N 459.527 4.941 50 10 JJGE O=S1(=O)C[C@@H]2CCC[C@]2([C@@H](Br)c2sc(Cl)cc2I)C1 2338557251 UPDRKSMORIJMJH-QILRFPOHSA-N 495.629 4.657 50 10 JJGE CC(C)(C)OC(=O)NCC[C@@H]1CCN(C[C@H](CBr)C2CC2)[C@H](C(F)(F)F)C1 2362789923 QETQURZBUCWKFT-KBMXLJTQSA-N 457.375 4.965 50 10 JJGE Cn1nc(Br)c(Br)c1[C@H](Br)c1ccc2c(c1)CCCO2 2364063267 HPCALKGKTCLUNP-LLVKDONJSA-N 464.983 4.754 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(C)(C)C)CN(C[C@]2(CBr)CC2(F)F)C1 2379988206 VNUFSAZODMOPJM-YZVOILCLSA-N 453.412 4.916 50 10 JJGE CC(C)(C)c1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1 13978996 DCHRUSGGDCGNOZ-UHFFFAOYSA-N 490.467 4.993 50 10 JJGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CCCC)cc1 14033095 LCYJYYXUAKFAAL-UHFFFAOYSA-N 498.649 4.724 50 10 JJGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1 14645654 QXNFLINJPBOFBZ-UHFFFAOYSA-N 490.398 4.687 50 10 JJGE COc1cccc2cc(C(=O)N/N=C/c3ccccc3OCc3ccccc3OCC#N)oc12 26808702 FFVLPYLKDZKSHF-LQKURTRISA-N 455.470 4.687 50 10 JJGE O=C(N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1cc2ccccc2cc1O 38173088 QGCCVPWWKDUAAL-COOPMVRXSA-N 455.901 4.880 50 10 JJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1 38658012 JIBJIQPOSJSLFO-VWLOTQADSA-N 454.482 4.697 50 10 JJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)c1 38659899 ZMLLVGDEVDVZEO-HHHXNRCGSA-N 486.524 4.523 50 10 JJGE O=C(NNc1ncnc(Oc2cccc3ccccc23)c1[N+](=O)[O-])c1ccc(Br)cc1 40583517 FKNBHEXDWLTKQF-UHFFFAOYSA-N 480.278 4.850 50 10 JJGE Cc1c(C(=O)N2CCCC[C@@H]2C)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811733 WZTIDPYHSVCYDQ-GYQDZVIGSA-N 472.383 4.836 50 10 JJGE Cc1c(C(=O)NNc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811787 RFSXBCMQPCVFBP-NLRVBDNBSA-N 481.350 4.578 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 58892799 RPZWYVSKDOLWFJ-WYDFGVIMSA-N 480.536 4.776 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 98083738 CTXAWOAKMNDQQV-OAHLLOKOSA-N 461.787 4.671 50 10 JJGE COC(=O)CS/C=C(/NC(=O)C(C)(C)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102579655 WHCCSOBHJSSSBU-QQTULTPQSA-O 492.601 4.848 50 10 JJGE O=S(=O)(NC[C@H]1CCCC[C@@H]1Br)c1c(Cl)cc(Br)cc1Cl 136973295 DSFPEEFFFQZTHG-SCZZXKLOSA-N 480.049 4.988 50 10 JJGE COc1cc(C[C@H](Br)c2cc(Br)ccc2I)ncn1 234994403 YMBHVLFWXWQKKM-NSHDSACASA-N 497.956 4.531 50 10 JJGE C/C(=N/NC(=O)[C@@H](Cc1ccccc1)C(=O)N/N=C(\C)c1ccc(C)cc1)c1ccc(C)cc1 250988168 VIZVSAZJMNYIHY-VVVKIVCKSA-N 454.574 4.543 50 10 JJGE O=C(Oc1ccc(C=NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1)c1cccnc1 254450979 HMIDGJJPNIMBIU-UHFFFAOYSA-N 469.472 4.783 50 10 JJGE C=CCc1cc(C=NNC(=O)c2ccc(C#N)cc2F)cc(OC)c1OCc1ccc(F)cc1 263627969 ZZQQEXOHYOMQAL-UHFFFAOYSA-N 461.468 4.916 50 10 JJGE BrCC(CBr)(COC1CCOCC1)c1ccccc1Br 312762502 CNTQNHRKLXIEHF-UHFFFAOYSA-N 471.027 4.672 50 10 JJGE CC[C@H](Br)[C@H](C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 387386925 JSXYEMKCNVRVND-XPUUQOCRSA-N 454.011 4.596 50 10 JJGE C[C@@H](Br)CC(C)(C)CNC(=O)c1cc(Cl)ccc1I 393554954 OMTZMKIBNOIGSE-SECBINFHSA-N 458.565 4.874 50 10 JJGE COCc1csc([C@H](Br)c2cc(I)cc3c2OCC3)c1 690016391 VYYKWFSWFUDBRM-CQSZACIVSA-N 465.150 4.918 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)NCCc2cc(F)cc(F)c2)c(-c2ccc(Cl)cc2)n1 748687517 GCRFUMNOONQZSB-PDGQHHTCSA-N 465.891 4.661 50 10 JJGE C[C@@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(=O)N(C)c1ccccc1 782092067 BREZGLDYBNVCAE-CTBJKRMSSA-N 487.947 4.619 50 10 JJGE C=CCN(c1ccc(C(=O)NN=Cc2ccc(Br)cc2)cc1)S(=O)(=O)c1ccccc1 1084378873 XFKWUPGNNHMEHZ-UHFFFAOYSA-N 498.402 4.594 50 10 JJGE COc1cc(C(=O)NNC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)ccc1OCCC(C)C 1087669583 XGBQMYKQIUNQDG-ROUUACIJSA-N 464.484 4.704 50 10 JJGE C/C(=C\C(=O)NNC(=O)c1ccc(Br)cc1Cl)c1ccccc1OC(F)F 1632936392 QIRATHDCHOICDA-CSKARUKUSA-N 459.674 4.568 50 10 JJGE N#CSc1ccc(NC(=O)Nc2ncccc2OCC(=O)Nc2cccc(Cl)c2)cc1 1858834213 XUHPHTWABIVOJI-UHFFFAOYSA-N 453.911 4.970 50 10 JJGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2CC 1865693699 QDHQVLVHAHLFJX-OAQYLSRUSA-N 460.534 4.594 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)ccc1OCc1ccc(Cl)cc1 1865700806 DTNHHLKAGQMXBA-GOSISDBHSA-N 490.869 4.898 50 10 JJGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cccc(F)c1 1865709964 LGVZZFZGQMQIBK-HSZRJFAPSA-N 452.489 4.964 50 10 JJGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 1865756944 FXRNFSJQLTYPHP-LBPRGKRZSA-N 480.298 4.871 50 10 JJGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)/C=C/c1cccc(OC(C)C)c1 1865759952 ZYVSHFDFEOEPRQ-KPKJPENVSA-N 451.473 4.597 50 10 JJGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3)n2)c1 1873920486 GRVIQLGLFMRLMX-ZPHPHTNESA-N 455.923 4.703 50 10 JJGE BrCc1cc(Br)c(OC[C@]23CCOC[C@H]2C3)c(Br)c1 1880400380 SJPXMUYMBPQNKU-QMTHXVAHSA-N 454.984 4.912 50 10 JJGE C[C@H](N)Cc1cc(Br)c(OCC2CC(Br)C2)c(Br)c1 1887907374 FQAILLCPXCLVNJ-PUSIOWJLSA-N 456.016 4.654 50 10 JJGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1F 1915094073 CQCSSVVWWGJEDX-CYBMUJFWSA-N 479.209 4.953 50 10 JJGE O=S(=O)(c1ccc(F)cc1Br)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915186498 LXWJJYDNXSXFTR-KRWDZBQOSA-N 491.220 4.953 50 10 JJGE Cc1c(Br)sc([C@@H](Br)C2CCS(=O)(=O)CC2)c1Br 1922930982 YCHZTSYIRAOOLI-VIFPVBQESA-N 481.069 4.842 50 10 JJGE O=C1C(Cl)=C(Cl)C(=NS(=O)(=O)c2ccc(Cl)cc2)[C@H](Cl)C1(Cl)Cl 2053493273 LMAAQFHDBBYMDP-JTQLQIEISA-N 455.961 4.523 50 10 JJGE C[C@@]1(CCBr)CCN(C(=O)c2cc(Br)sc2Br)C1 2068152029 SFUUHLNCDOLIBQ-GFCCVEGCSA-N 460.029 4.910 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2CC[C@@]2(CBr)C1 2078147733 PIRWKKATKQMLSR-JMCQJSRRSA-N 458.013 4.520 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CCSC[C@@H]1CCBr 2094094776 FWWXIXOWUFOHQH-VIFPVBQESA-N 472.040 4.554 50 10 JJGE CC1(C)C[C@H](CBr)N(C(=O)c2c(Br)cccc2Br)C1 2094750989 KIXINXASJIHZOZ-SECBINFHSA-N 454.000 4.847 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NC[C@@H](CBr)CC2CC2)C1(C)C 2112868651 LTLVNTMEHHTFHA-MOZQLWJVSA-N 451.471 4.589 50 10 JJGE CC(C)[C@@H]1[C@@H](Cl)CCN1C(=O)c1cc(I)ccc1Br 2126095926 UTZGNQCVBJMKNQ-QWHCGFSZSA-N 456.549 4.532 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2[C@@H](Br)CCC[C@H]2C1 2150959542 WXNQIJIPEKWNCF-BIMULSAOSA-N 466.011 4.847 50 10 JJGE CN(C(=O)c1cc(Br)cc(Br)c1)[C@H](CCBr)C(F)(F)F 2178515552 MTSAKXWMWBWYTJ-SNVBAGLBSA-N 481.932 5.000 50 10 JJGE C[C@H]1CN(S(=O)(=O)c2cc(CBr)ccc2Cl)[C@@H](C)CN1Cc1ccccc1 2179784939 GANGDORRMMLEKG-HOTGVXAUSA-N 471.848 4.518 50 10 JJGE O=S(=O)(Nc1ccc(Br)c(Br)c1)c1ccc(CBr)cc1 2185908163 UJSDSJZRZVYOHS-UHFFFAOYSA-N 484.007 4.907 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Cl)C2)c1cc(I)ccc1Br 2204563650 NRKIAQBNKRKZLV-UVJIQFMESA-N 468.560 4.580 50 10 JJGE Cc1cc(C(=O)N[C@H](CBr)CC2CCCC2)ccc1I 2207108838 ZEZHYHQMSTYQQN-AWEZNQCLSA-N 450.158 4.673 50 10 JJGE C[C@H](CBr)CC1CN(C(=O)c2ccc(Br)cc2Br)C1 2230536633 LXQFOUKPRAYMKT-VIFPVBQESA-N 454.000 4.705 50 10 JJGE C[C@H](Br)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(I)c2)C1 2268346711 RBAOFOCRCVOTNL-GXSJLCMTSA-N 456.549 4.580 50 10 JJGE O=C(N[C@@H]1CCC[C@H]1CCBr)c1ccc(Cl)c(I)c1 2268349123 ZMFJXYGIQXWXQB-TVQRCGJNSA-N 456.549 4.628 50 10 JJGE C[C@H]1CC[C@H](Br)CN1Cc1ccc(I)c(Br)c1 2306218475 AICYRNRBHFIAIB-ONGXEEELSA-N 472.990 4.802 50 10 JJGE C[C@]1(CCBr)CCN1Cc1ccc(I)c(Br)c1 2306227959 NTIBWBUGNLQKFN-ZDUSSCGKSA-N 472.990 4.803 50 10 JJGE O=S1(=O)C[C@H]2C([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)[C@@H]2C1 2314503290 QWXFHYLQYKBBQD-MDZRGWNJSA-N 486.225 4.755 50 10 JJGE COc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C)cc3C)nc3c(C)cccn3c2=O)c1 2314531524 BYRSLHHXDIUZAX-UHFFFAOYSA-N 480.524 4.966 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc2ccccc2o1 2314755098 SLYWFMHUKIMFRK-UHFFFAOYSA-N 456.454 4.867 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H]2CC[C@H]1[C@H](Br)C2 2325303653 LIDBHIFNNWVHGY-ZQARSLAVSA-N 458.013 4.661 50 10 JJGE CC1(C[S@](C)(=O)=NC[C@](C)(CBr)C(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2352084759 UOTUALITJVWRLM-SIBVEZHUSA-N 453.487 4.789 50 10 JJGE Cn1nc(Br)c(Br)c1C(=O)Nc1ccc(Cl)cc1CBr 2364229682 CMWTXSLWFGEVMC-UHFFFAOYSA-N 486.389 4.746 50 10 JJGE C[C@H]1CCCC/C1=N/NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 9183582 SCGIGAFUXBXNBT-RPIBDXEDSA-N 464.385 4.546 50 10 JJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc(Cl)cc3)cc2)cc1 12492033 KJBRYQWVVMFSNB-UHFFFAOYSA-N 479.964 4.730 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccccc1Br 35254405 UPQYTLPEXKUDLO-ATVHPVEESA-N 495.329 4.883 50 10 JJGE Cc1c(C(=O)NCc2cccnc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815457 AZOWXQFWSYZBTQ-IWBSIUBASA-N 492.579 4.902 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1cccc(C)c1 40935019 KBBGQNCAMSCEKO-CJLVFECKSA-N 488.540 4.975 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc(OC)c1OC 205651131 ILULEFKUWCAIKU-MNGZUSSTSA-N 498.535 4.858 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CCCCC[C@@H]1CCl 236036655 MVWQSBNSEBCBJK-LLVKDONJSA-N 456.549 4.677 50 10 JJGE CCN(CC)c1ccc(C=NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1 254310258 SJUQLTGLKQJAKK-UHFFFAOYSA-N 485.009 4.751 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](CBr)[C@H](c2cc(I)ccc2F)C1 382734601 WGQXZZWYHRPOBR-GXFFZTMASA-N 484.147 4.776 50 10 JJGE CC[C@@H]1[C@@H](CCl)CCN1C(=O)c1cc(I)ccc1Br 385636117 JHQMPBYTSYXICQ-NOZJJQNGSA-N 456.549 4.533 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CC[C@H]2CC[C@@H](Cl)[C@H]1C2 721515570 XAUVHZLBCQFMHZ-OWYVNGRQSA-N 468.560 4.676 50 10 JJGE COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 1084180143 LYIAQTNHMDVTML-WUXMJOGZSA-N 469.708 4.753 50 10 JJGE Cc1cc(C=NNC(=O)c2ccc(CN3CCOCC3)cc2)c(C)n1-c1ccc(Cl)cc1Cl 1084472757 FOBCVRXAPLIPTD-UHFFFAOYSA-N 485.415 4.997 50 10 JJGE COc1cc(Cl)c(C=NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1OC 1084487496 AJWWEPHHXZVXND-UHFFFAOYSA-N 483.790 4.946 50 10 JJGE O=[N+]([O-])c1ccc(Cl)c([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)c1 1614702691 SOLJGOQUBROIGD-YOEHRIQHSA-N 456.711 4.899 50 10 JJGE CCN(CC)c1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CBr)c(O)c1 1614706577 WGCPMKYLIIJLRW-GHTZIAJQSA-N 461.400 4.986 50 10 JJGE Cc1c(C(=O)NCCc2cccs2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772748807 UIDNZBVLRVLQIS-UHFFFAOYSA-N 455.967 4.746 50 10 JJGE CC(C)NC[C@@H](O)COc1ccc(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1 1848434207 MQLCRNVEKRORAS-AREMUKBSSA-N 491.748 4.543 50 10 JJGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccncc2)C(C#N)=C(N)O3)cc1 1865702654 YLVOCLLRVXMOKG-NRFANRHFSA-N 455.905 4.814 50 10 JJGE O=C(CBr)c1cc(I)cc(OC(F)(F)F)c1C(F)F 2060389505 SDPNDANEALPFGR-UHFFFAOYSA-N 458.946 4.705 50 10 JJGE O=C(CBr)c1c(C(F)F)ccc(OC(F)(F)F)c1I 2060392372 MSOYETQJMNFLPI-UHFFFAOYSA-N 458.946 4.705 50 10 JJGE CCCN(CCCBr)c1ncc(C(F)(F)F)cc1I 2092992954 GZSXYUSWTUODLS-UHFFFAOYSA-N 451.068 4.706 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@@H]2CC[C@H](Br)C[C@H]2C1 2148749418 HUTJZKHCQQZAIF-DCAQKATOSA-N 466.011 4.847 50 10 JJGE Cc1cc(C(=O)N[C@H](CBr)C2CCCCC2)ccc1I 2207108862 ZIMUUJJTZKIXHF-OAHLLOKOSA-N 450.158 4.673 50 10 JJGE Cn1nc(Br)c([C@H](Br)c2cc(Br)ccc2Br)n1 2214374875 KKCURAUOCWSICQ-MRVPVSSYSA-N 488.803 4.587 50 10 JJGE COC(=O)c1ccccc1NC(=O)C(C#N)=Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 2295459709 PPBZHPVYTNYUJF-UHFFFAOYSA-N 460.461 4.746 50 10 JJGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(C(=O)OC)o3)c(OC)c2)cc1 2297382066 VIXVVXUMPGBRRT-UHFFFAOYSA-N 476.485 4.598 50 10 JJGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(OC)cc3)C2=O)cc1 2314593442 MYBJPTNCODWXFG-DEOSSOPVSA-N 487.581 4.593 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc(OC)c1OC 2314634367 ILULEFKUWCAIKU-HHHXNRCGSA-N 498.535 4.858 50 10 JJGE CN([C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12)S(=O)(=O)c1ccsc1CBr 2357092407 WMDNJCSIIWLDRW-XSLAGTTESA-N 470.454 4.647 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(F)c(Cl)c2)c1[N+](=O)[O-])c1cccc2ccccc12 40658730 QYYYTICYTWGOCP-UHFFFAOYSA-N 452.833 4.831 50 10 JJGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)c1C 40812158 LGJRXLJRBVNUDQ-NHFJDJAPSA-N 460.490 4.836 50 10 JJGE O=C(N/N=C/c1ccc(OCc2cccc(F)c2)cc1)C(O)(c1ccccc1)c1ccccc1 59435302 QFQIUBJBXHBLDM-NDZAJKAJSA-N 454.501 4.791 50 10 JJGE COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)nn(Cc3ccccc3)c2C)cc1Br 59857989 HUERCNWLCCQGJA-YBFXNURJSA-N 465.351 4.865 50 10 JJGE COc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242298 FONUKJKVKOKBKK-JSIHEXFSSA-N 493.972 4.684 50 10 JJGE CN(C)c1ccc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 216501213 UNFZARGIZYALLE-LVWGJNHUSA-N 465.601 4.506 50 10 JJGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(C(C)(C)C)cc2)cc1 252640971 YYOXMXQUBPZFQP-LZSXEYGJSA-N 468.601 4.971 50 10 JJGE CCOc1cc(C=NNC(=O)CSc2nnc(C)s2)ccc1O[C@@H](C)c1ccccc1 254836559 QKZHLXWJOGAVFO-HNNXBMFYSA-N 456.593 4.628 50 10 JJGE C[C@@H]1O[C@H](C)[C@H]([C@H](Br)c2cc(I)cc3c2OCC3)[C@H]1C 312371127 PSVJGITXVSKPCP-TUWBQHJRSA-N 451.142 4.722 50 10 JJGE O=S(=O)(Nc1cc(Br)ccc1I)c1ccc(CCl)cc1 380259380 PJRCKFVKYPEVMM-UHFFFAOYSA-N 486.556 4.593 50 10 JJGE Cn1ncc([C@@H](Br)Cc2ccc(C(F)(F)F)cc2)c1I 381646036 WTQFIPVFXAELDP-NSHDSACASA-N 459.047 4.722 50 10 JJGE COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)cc1Br 382685369 CYJCFWSALWFWRQ-QWHCGFSZSA-N 496.183 4.843 50 10 JJGE CC(C)(CCl)CCCNC(=O)c1cc(I)ccc1Br 393382377 KFFZLZUOAHJOKG-UHFFFAOYSA-N 458.565 4.829 50 10 JJGE Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1 729344377 GDMBHZMANPAPFO-AHFVYKFHSA-N 467.529 4.558 50 10 JJGE Cc1cc(C(=O)COC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c(C)n1C1CC1 761414245 FPNXGJRGBWBPMO-KGENOOAVSA-N 467.529 4.550 50 10 JJGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)ccc1OCc1ccccc1 1083993259 MEFIPBWAXWOVPT-JOCHJYFZSA-N 467.363 4.992 50 10 JJGE CC(C)c1ccc(N(CC(=O)NN=Cc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)cc1 1084283322 SPAANKVKEVMRFR-UHFFFAOYSA-N 487.984 4.948 50 10 JJGE O=[N+]([O-])c1ccc(Cl)cc1[C@H]1CN(Cc2ccccc2)C[C@H]1CI 1614614451 ITGPOXXALIJRDJ-PBHICJAKSA-N 456.711 4.899 50 10 JJGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772750481 BKGGTRCCHPRRRL-UHFFFAOYSA-N 488.441 4.973 50 10 JJGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772750835 OPWPOXKTAWQKCW-UHFFFAOYSA-N 484.478 4.763 50 10 JJGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2C(=O)NCc2ccccc2)n1 1868277857 KQTQORINQNXDLZ-NRFANRHFSA-N 458.591 4.641 50 10 JJGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C 1885096267 HYMFFCOSKGIZTR-LVQVYYBASA-N 461.441 4.946 50 10 JJGE FC(F)(CBr)[C@@H]1CCN(Cc2cc(Cl)ccc2I)C1 1892706357 BBMKNUAKHNFUBP-SNVBAGLBSA-N 464.519 4.797 50 10 JJGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cc(Br)ccc1F 1916383536 KXCXKHDEHRWRNL-OAHLLOKOSA-N 459.153 4.641 50 10 JJGE CC(C)CCN(CCCl)C(=O)c1cc(Br)ccc1I 1924491040 HZAHXPYGPISZJS-UHFFFAOYSA-N 458.565 4.781 50 10 JJGE CC1(C)C[C@H](Br)CCN1c1ncc(I)cc1Br 2015758837 MVCGNXNXMSICFK-MRVPVSSYSA-N 473.978 4.591 50 10 JJGE CN(C[C@H]1C[C@@H]1Br)C(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2020199321 CPOPBZHQVCNLMQ-RISCZKNCSA-N 462.182 4.652 50 10 JJGE CC[C@H](CCCBr)NC(=O)c1cc(Br)ccc1I 2036514781 XZWQMEWYOFNZIV-SNVBAGLBSA-N 488.989 4.737 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNc1cc(Br)cc(F)c1C#N 2061264983 WGFBTSPZQDVGAL-UHFFFAOYSA-N 450.399 4.778 50 10 JJGE CC[C@H]1CN(C(=O)c2scc(Br)c2Br)C[C@H]1CBr 2084898365 JHKNJUAFSTWBRR-JGVFFNPUSA-N 460.029 4.766 50 10 JJGE O=C(N[C@@H]1CCC[C@@H]1CCCl)c1cc(Br)ccc1I 2090559304 JHTIKFSRPQEEPZ-NOZJJQNGSA-N 456.549 4.581 50 10 JJGE O=C(N[C@H]1CCC[C@H]1CCBr)c1ccc(I)c(Cl)c1 2090573186 RYMHFGWFHPAZTN-ZANVPECISA-N 456.549 4.628 50 10 JJGE C[C@H]1C[C@@H](Br)[C@H](C)CN1C(=O)c1cc(Br)cc(Br)c1 2093110861 FYZVNVZBECIHOM-VYUIOLGVSA-N 454.000 4.846 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@@H](Br)CC12CCC2 2099390902 BSMKGGGHFIBTNZ-JTQLQIEISA-N 451.984 4.744 50 10 JJGE CC[C@H](Br)CN(C(=O)c1ccc(I)c(Cl)c1)C1CC1 2107405888 DDKFOTVRVZXCRV-JTQLQIEISA-N 456.549 4.723 50 10 JJGE O=C(N[C@H]1CCCC[C@@H]1CCBr)c1cc(I)ccc1F 2169666191 SGACOMSKGJJAOX-YGRLFVJLSA-N 454.121 4.504 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@@H](Br)CCC12CC2 2227504452 FVZFBJAARWAHIA-JTQLQIEISA-N 451.984 4.744 50 10 JJGE O=C(c1c(Br)cccc1Br)N1[C@H]2CC[C@@H](Br)[C@H]1CC2 2229865045 WWVQWPKOBKPRPZ-YGOYTEALSA-N 451.984 4.742 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CCC[C@H](CBr)CC1 2295306827 BJLZOWVLIOETEI-NSHDSACASA-N 468.027 4.778 50 10 JJGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccccc3)C2=O)cc1Cl 2296834837 LEERPPPFOUYQOH-QFIPXVFZSA-N 477.973 4.984 50 10 JJGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1 2314618161 IIKKUWDEYYVYBL-OAQYLSRUSA-N 462.933 4.690 50 10 JJGE CC(C)[C@@H](Cl)C(C)(C)NC(=O)c1cc(Br)ccc1I 2340526623 YJMMAXJSGQQQTF-GFCCVEGCSA-N 458.565 4.826 50 10 JJGE ClCCCOC1CCN(Cc2ccc(I)c(Br)c2)CC1 2377312901 AVNUCHARYPIHNR-UHFFFAOYSA-N 472.592 4.664 50 10 JJGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C(C)C)cc1 9231639 KOLOAWDXSIANOH-UHFFFAOYSA-N 490.398 4.541 50 10 JJGE O=C(COc1c(Cl)cc(Cl)cc1Br)NNC(=O)c1ccc(Cl)cc1Cl 9779641 PREZEYFARQPKIN-UHFFFAOYSA-N 486.964 4.903 50 10 JJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1 38650729 FPKPVJFBXQWPKP-HHHXNRCGSA-N 470.525 4.850 50 10 JJGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)c1 40814552 RABIGVQRGUNEIE-SZXQPVLSSA-N 475.501 4.732 50 10 JJGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825762 QSJUPTBZUCUCMZ-NDZAJKAJSA-N 482.496 4.588 50 10 JJGE COc1cc(/C=N/NC(=O)COc2cccc(Br)c2)ccc1OCc1ccccc1 40911076 YNVCXAQRGREGAH-AFUMVMLFSA-N 469.335 4.566 50 10 JJGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)[C@H](C)c1ccc(CC(C)C)cc1 59148836 RAJRFQORSPXFEM-JOBSNELWSA-N 492.536 4.758 50 10 JJGE Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)NNC(=O)Cc1cccc2ccccc12 107779780 YJSYYYBXFNZRBR-UHFFFAOYSA-N 480.490 4.594 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCCOc1ccccc1C 206399858 PEMGOGNAWKRGSX-ULJHMMPZSA-N 484.552 4.992 50 10 JJGE Cc1cc(C)cc(-n2c(SCC(=O)/C(C#N)=C3\Nc4ccccc4N3C)nc3ccccc3c2=O)c1 209780073 UFHYQIBQCOHVME-YYADALCUSA-N 493.592 4.961 50 10 JJGE COc1ccc([C@H](Br)c2ccc(F)cc2I)cc1OC 234999833 UVOBSXOJQJHWBE-HNNXBMFYSA-N 451.073 4.932 50 10 JJGE CCCCOc1ccc(C=NNC(=O)Nc2sc(C(C)=O)c(C)c2C(=O)OCC)cc1OC 256017394 LDUSGEREEPGGDA-UHFFFAOYSA-N 475.567 4.779 50 10 JJGE ClCc1nc2cc(I)ccc2n1CC[C@H]1CN(Cc2ccccc2)CCO1 383916983 QYXUWXLBSJNWGN-SFHVURJKSA-N 495.792 4.671 50 10 JJGE CC(C)[C@@](C)(CBr)NC(=O)c1cc(Br)ccc1I 398593675 ZLJFRMLDUWTZKZ-CYBMUJFWSA-N 488.989 4.593 50 10 JJGE C[C@@H]1CC[C@@H](CBr)CN1C(=O)c1scc(Br)c1Br 688665569 KDIUEUCIVWOSKH-SFYZADRCSA-N 460.029 4.909 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H]2C[C@@H](Br)CC[C@H]2C1 705439011 MSWLEWUUICNEGC-YIZRAAEISA-N 472.040 4.909 50 10 JJGE Cn1cc(C[C@H](CBr)Cc2ccc(Br)cc2)c(Br)n1 714085832 RZQAVRODIUTELT-LLVKDONJSA-N 451.000 4.741 50 10 JJGE CCOc1cc(C=NNC(=O)c2ccc(NC(C)=O)cc2)ccc1OC(=O)c1ccc(Cl)cc1 1084233348 KWXGMFZDPQICIY-UHFFFAOYSA-N 479.920 4.680 50 10 JJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(Cl)c(Cl)c2)Cc2ccccc2)cc1 1084485255 QZSWNQYYYUQBOY-UHFFFAOYSA-N 490.412 4.643 50 10 JJGE O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(Cl)c(Cl)c1 1084498529 WYYQYLPGGABHGY-UHFFFAOYSA-N 496.803 4.992 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)c1O 1865684638 URQRFVZPFDCKOF-JOCHJYFZSA-N 468.488 4.670 50 10 JJGE N#CSc1ccc(NC(=O)CNC(=O)C[C@@H](c2ccccc2)c2ccc(F)c(F)c2)cc1 1868155591 OVLRPJFIKCJRNJ-FQEVSTJZSA-N 451.498 4.815 50 10 JJGE CC(C)OC(=O)c1ccc(/C(C#N)=C/c2cc(Br)c(O)c(Br)c2O)o1 1872728468 DGXQQCGOYVDLGA-BJMVGYQFSA-N 471.101 4.845 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1OC 1872745706 ZJZWSXJPOKLLOX-ZZEZOPTASA-N 475.526 4.696 50 10 JJGE COc1ccccc1-c1csc(/C(C#N)=C(\O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 1872747081 MQCIWKQMNQETJL-UEBMVEOSSA-N 459.527 4.932 50 10 JJGE Fc1cc2c(cc1I)nc(CCl)n2C[C@H]1C[C@H](Br)C1 1887942948 RBMFTZFHJKDFLF-ZKCHVHJHSA-N 457.512 4.692 50 10 JJGE Br[C@H](c1cc(I)cc2c1OCC2)C1(Br)CC1 1980153207 YHUWILKAPCPAEW-LLVKDONJSA-N 457.931 4.590 50 10 JJGE COc1ccc(C=C(C#N)S(=O)(=O)c2cc(Br)ccc2Br)cc1OC 2040461172 BYYVTSBUXZJTBO-UHFFFAOYSA-N 487.169 4.567 50 10 JJGE CC1(C)[C@@H](Br)CC[C@H]1NC(=O)c1cc(Br)sc1Br 2086023656 GLUYYAUMGVWIOY-JGVFFNPUSA-N 460.029 4.955 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCc2cc(Br)ccc2C1 2125293898 QAHTUPRSUNPTEZ-QGZVFWFLSA-N 461.491 4.802 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@H](CBr)C12CC2 2133831109 LOMZEKFXOWHXKP-SNVBAGLBSA-N 451.984 4.601 50 10 JJGE CC[C@@H](CCCBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2154044008 WRYYDWGPJQJCTJ-VIFPVBQESA-N 468.038 4.988 50 10 JJGE CCc1ccc(S(=O)(=O)N2CCC(OCc3ccccc3)CC2)cc1CBr 2179862529 XONLSOPORGOWQL-UHFFFAOYSA-N 452.414 4.514 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CCC(CCCCl)CC1 2207272065 LWMPAFDDDQRGJJ-UHFFFAOYSA-N 470.576 4.925 50 10 JJGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)Cc1ccc(Br)cc1 2213760347 DWFIQLNGCRIYHF-HNNXBMFYSA-N 475.246 4.955 50 10 JJGE CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCCCCI)C2)CC1 2220216463 LKGPLDMSHHTWQR-GOSISDBHSA-N 464.432 4.951 50 10 JJGE CCN(C(=O)c1ccc(Br)cc1I)[C@H]1CCC[C@@H]1Cl 2224421923 OYVOXWWLSSLABQ-AAEUAGOBSA-N 456.549 4.676 50 10 JJGE C[C@@H]1CC[C@H](CBr)N(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295309056 DVZPHBUBUSXTCF-QMTHXVAHSA-N 468.027 4.776 50 10 JJGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NC2CCCC2)ccc1Cl 2296720343 TZJKYCXVKYJFEY-UHFFFAOYSA-N 462.937 4.723 50 10 JJGE CC(C)(C)C1=C(C#N)[C@H](c2cccs2)C(C#N)=C(NC(=O)NC(=O)c2c(F)cccc2F)O1 1048744 ZDCCQMCNBLKRHS-KRWDZBQOSA-N 468.485 4.839 50 10 JJGE CCOc1cc(/C=C(/C#N)c2nc3ncc(Br)cc3[nH]2)cc(Br)c1O 5920871 CAYQRXIBAJNFDP-KMKOMSMNSA-N 464.117 4.651 50 10 JJGE C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 14665788 FMKROBKAPDQISD-UONOGXRCSA-N 453.366 4.673 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1OC 38658338 QGQDEIOJYCDUQS-HSZRJFAPSA-N 462.889 4.795 50 10 JJGE O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12)NNC(=O)c1ccc([N+](=O)[O-])cc1 39852754 YEZDPVLZMBEDNV-UHFFFAOYSA-N 477.908 4.575 50 10 JJGE O=S(=O)(N[C@H]1CCCCC[C@H]1Br)c1cc(Cl)c(Br)s1 136201327 SYUKDTCIVOSDPF-APPZFPTMSA-N 451.633 4.539 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)OC(C)C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 205670906 JHGWCZISVIORCG-SXGWCWSVSA-N 462.424 4.590 50 10 JJGE CN(C)c1ccc(/C=C(/NC(=O)c2cccc(F)c2)C(=O)NN=Cc2c(O)ccc3ccccc23)cc1 252603917 FUMBLQMOGSEVQL-OGYIDRFLSA-N 496.542 4.672 50 10 JJGE C#CCOc1c(Cl)cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)cc1OCC 252610790 IDODSDHAABDWGQ-UHFFFAOYSA-N 455.725 4.587 50 10 JJGE CC(C)C(=O)[C@H](Br)Cc1ccc(I)c(Br)c1 300912008 SAJVXJDNGVEWQQ-SNVBAGLBSA-N 459.947 4.585 50 10 JJGE O=C(N[C@@H]1CCCCC[C@H]1Cl)c1ccc(I)c(Br)c1 721619096 KSHVPZVUIBMYLE-DGCLKSJQSA-N 456.549 4.724 50 10 JJGE O=C(NN=Cc1cccs1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1083933982 HAZXSCHHENXSAZ-UHFFFAOYSA-N 472.226 4.937 50 10 JJGE CCOc1ccc(N(CC(=O)NN=C(C)c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084147636 PXFCOTOISLIBED-UHFFFAOYSA-N 492.022 4.536 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084551592 YLXYIRSPADMUGO-HNNXBMFYSA-N 457.361 4.728 50 10 JJGE CC(=NNC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 1565517495 CQLNVQCCEVUCKL-UHFFFAOYSA-N 483.565 4.999 50 10 JJGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688645 XULSMPGKIKYAMK-HXUWFJFHSA-N 495.377 4.910 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865692409 LUWVMFIHJYAWPH-RUZDIDTESA-N 494.551 4.842 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)cc1OC 1865695127 KMZBDGPDLJRLHM-QFIPXVFZSA-N 464.953 4.773 50 10 JJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 1865713326 WOLVSPRIXJFBEV-GOSISDBHSA-N 456.289 4.868 50 10 JJGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc(OC)c1OC 1872795233 VAEOUVPZWLGAJD-OQLLNIDSSA-N 468.531 4.926 50 10 JJGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CCl)cc1F)Cc1ccccc1 1946827536 OZTQNXQHWUIYGE-UHFFFAOYSA-N 461.002 4.887 50 10 JJGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1CCl 1977929930 PEMRKZQLRVQTKO-UHFFFAOYSA-N 453.004 4.531 50 10 JJGE C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1NCCSSCCNC(=O)OC(C)(C)C 1991591525 YSMDOBMHEYDDHK-DLBZAZTESA-N 463.710 4.518 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@@H]2CC[C@H](Br)[C@H]2C1 2032958605 HZRNEGQLGWCIMS-ZKWXMUAHSA-N 458.013 4.519 50 10 JJGE CC1(C)C[C@@H](CBr)N(C(=O)c2scc(Br)c2Br)C1 2033721132 WWZLCWZXMYLXHW-ZETCQYMHSA-N 460.029 4.909 50 10 JJGE O=C(NCC1(F)CC(CBr)C1)c1cc(Br)sc1Br 2049520474 QXYHRCAMMXCSJW-UHFFFAOYSA-N 463.992 4.516 50 10 JJGE CCCN1CC[C@H]([C@@H](Br)c2scc(Br)c2Br)S1(=O)=O 2089520258 UWJVQKLLFHBOHE-PSASIEDQSA-N 496.084 4.523 50 10 JJGE Clc1ccc(I)c(CN2C[C@@H]3CCC[C@H](Br)[C@H]3C2)c1 2094589754 BGJXIGQSCMKBJF-BPNCWPANSA-N 454.577 4.940 50 10 JJGE O=C(c1cc(I)ccc1Br)N1C[C@H](Br)CC12CCC2 2099390740 AGOQJXZQXJJIMT-SECBINFHSA-N 498.984 4.586 50 10 JJGE CC(C)(C)OC(=O)N[C@H](C[S@](C)(=O)=NC[C@H](CBr)CC1CC1)C(C)(C)C 2112869287 RODXEFCDCPVDID-DBFUXIHBSA-N 453.487 4.835 50 10 JJGE C[C@@]1(CCBr)CCN(C(=O)c2cc(Cl)ccc2I)C1 2131898686 IFJISUDFLPGPDF-CQSZACIVSA-N 456.549 4.582 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2143979292 WJIOHILMAIKIKJ-BFVZDQMLSA-N 466.011 4.990 50 10 JJGE O=C(NC[C@@]1(CCl)CC12CCC2)c1cc(I)ccc1Br 2154181483 NWQNKPQYQXNMMX-HNNXBMFYSA-N 468.560 4.583 50 10 JJGE C[C@]1(CBr)CC(F)(F)CN1C(=O)c1ccc(I)c(Cl)c1 2159048095 AUWKBXULMULQAR-GFCCVEGCSA-N 478.502 4.579 50 10 JJGE CC(C)(C)OC(=O)N[C@@H]1CN(C[C@H](CBr)c2ccccc2)C[C@@H]1C(F)(F)F 2163058049 HHQWNHYPANCEDV-HRCADAONSA-N 451.327 4.553 50 10 JJGE CC1(CBr)CC(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 2175847545 BWKSARWQTPTQFR-UHFFFAOYSA-N 466.022 4.598 50 10 JJGE C[C@@]12CC[C@@](CCl)(C1)N(C(=O)c1ccc(I)c(Br)c1)C2 2199491136 MWVUYNFUFHYVOP-CABCVRRESA-N 468.560 4.677 50 10 JJGE CCN(C(=O)c1cccc(Br)c1Br)[C@H]1CCC[C@@H]1Br 2224419627 PQLAKDHMBNYDDI-JQWIXIFHSA-N 454.000 4.990 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](Br)[C@H](OCc2c(F)cc(Br)cc2F)C1 2250054344 FDWMOQCGUQIXLL-SMDDNHRTSA-N 471.136 4.627 50 10 JJGE C[C@]1(CBr)C=CCCN1C(=O)c1cc(Br)ccc1Br 2264387579 RDGHKMKXDWJVCP-CQSZACIVSA-N 451.984 4.767 50 10 JJGE C[C@@H]1CC[C@@H](CBr)N(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295309057 DVZPHBUBUSXTCF-YGRLFVJLSA-N 468.027 4.776 50 10 JJGE C[C@@H](OC(=O)C(C#N)=Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 2297487108 GXFWIUAHRJHXCB-HUUCEWRRSA-N 460.361 4.775 50 10 JJGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)c(C)c2)c(OCC)c1 2314736127 WKSQFLNITNDLSM-UHFFFAOYSA-N 488.334 4.611 50 10 JJGE CCOc1ccc(C)cc1[C@H](C)NC(=O)C(C#N)=CNc1ccc(I)cc1 2325075959 SUNGJMGCOXNZIF-HNNXBMFYSA-N 475.330 4.695 50 10 JJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 12492113 TVSMAWHWURSVPK-UHFFFAOYSA-N 494.935 4.873 50 10 JJGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)OCC(C)C)c2)o1 20036562 NQXHBYCCJTYBNQ-YVLHZVERSA-N 452.894 4.635 50 10 JJGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3cccc(NC(C)=O)c3)c(OC)c2)cc1OC 31902100 BMDPQXKIMOYBRX-MTJSOVHGSA-N 472.497 4.954 50 10 JJGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1 38682158 YZAVFFGEZNRQGP-RUZDIDTESA-N 458.539 4.920 50 10 JJGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 40826438 BHJQFLAVQTZQSQ-JVWAILMASA-N 460.515 4.626 50 10 JJGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241076 MCPNOIMKLNEEQC-MZOFLMDJSA-N 487.556 4.577 50 10 JJGE COCCN(C(=O)C(Cl)Cl)[C@H](C)c1nc2cc(Cl)ccc2c(=O)n1-c1ccc(C)cc1 105190989 XVWUWLRYFYLDLQ-CQSZACIVSA-N 482.795 4.687 50 10 JJGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C1=O 214216096 AHOJKEUWOVRCJB-HAHDFKILSA-N 452.514 4.550 50 10 JJGE O=C(NN=Cc1c[nH]nc1-c1ccc(F)cc1)c1cc(-c2ccccc2O)nc2ccccc12 254741828 FXFAFYNMIUYAAR-UHFFFAOYSA-N 451.461 4.901 50 10 JJGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)cc1OC 254752560 OPIBHXJGRNQBGH-UHFFFAOYSA-N 474.586 4.653 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccc(Br)cc2)C1 394679408 WZOVLBKTMVVZGN-TZMCWYRMSA-N 466.157 4.835 50 10 JJGE CO[C@@]1(CC(CBr)(CBr)c2ccccc2Br)CCOC1 692461821 KCMRXYLTJULQFD-OAHLLOKOSA-N 471.027 4.672 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Br)cc(Br)c2)C[C@]1(C)CBr 694701534 XGWNIYURPZPKQV-OTYXRUKQSA-N 454.000 4.705 50 10 JJGE C[C@@H](CBr)[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1I 696708861 DTKKZMBIILABDR-IINYFYTJSA-N 470.576 4.970 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)c(C)n1-c1ccc(F)cc1 786605180 FCTBYSSTCJGZMU-GRSHGNNSSA-N 476.895 4.847 50 10 JJGE C/C(=C/c1c(Cl)cccc1Cl)C(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C 1151652313 AMNLFBVQRXVSNK-SEYXRHQNSA-N 456.395 4.617 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1865705995 LKUWORXIPMNFJJ-OAHLLOKOSA-N 461.787 4.671 50 10 JJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1 1865708925 JJIIHCDBWWDIPL-QGZVFWFLSA-N 488.853 4.608 50 10 JJGE C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866836043 XDTITZRROSWGLU-MHECFPHRSA-N 461.562 4.944 50 10 JJGE COc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1OCC(=O)Nc1ccc(C)cc1 1872727013 YHSMDCWEAGQWJA-XSFVSMFZSA-N 452.514 4.972 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1873793531 OTWKWTAGRDXNTL-YYHBXHNPSA-N 457.958 4.769 50 10 JJGE CC(C)(C)OC(=O)N[C@@H](CBr)C1CC(NC(=O)OC(C)(C)C)(C(F)(F)F)C1 1889178061 FSBLBPLCMJHJDI-CSJGVYOVSA-N 461.319 4.510 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC[C@@H]1CN(C(=O)OC(C)(C)C)CC12CCC2 2019923457 PNPGPVFJUUWPHU-QGZVFWFLSA-N 475.721 4.519 50 10 JJGE O=C(CBr)c1ccc(Br)c(OC(F)(F)F)c1I 2054820656 OFHRJPGKCWNGHQ-UHFFFAOYSA-N 487.835 4.530 50 10 JJGE C[C@@H]1CN(c2ncc(I)cc2Br)CC[C@@H]1CCBr 2069529926 UMFBFSVOGGGPSL-ZJUUUORDSA-N 488.005 4.696 50 10 JJGE FC1(F)CCN(Cc2cc(Cl)ccc2I)CC[C@@H]1Br 2093622209 XLUWPJKPFGJUBV-LBPRGKRZSA-N 464.519 4.939 50 10 JJGE O=C(c1csc(I)c1)N1CCC2(CCC(Br)CC2)C1 2099799394 CDZRCKPIMQSWEO-UHFFFAOYSA-N 454.171 4.523 50 10 JJGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1cccc(Br)c1Br 2104409243 WDJAKVHOIUDLHS-UFGYURQFSA-N 451.984 4.503 50 10 JJGE C[C@H]1C[C@@H](CBr)CCN1C(=O)c1ccc(I)c(Cl)c1 2115844924 VWLAPBUKJMVBNY-UWVGGRQHSA-N 456.549 4.580 50 10 JJGE CC(C)[C@@H]1[C@H](Br)CCN1C(=O)c1cc(Br)cc(Br)c1 2126103337 WMUCFXRYDNRHQO-CHWSQXEVSA-N 454.000 4.846 50 10 JJGE CC1(C)C[C@H](CBr)CN1C(=O)c1cccc(Br)c1Br 2127836624 UXXKWLRXQFWCBX-SECBINFHSA-N 454.000 4.847 50 10 JJGE COc1ccc([C@H](Br)c2cnn(C)c2I)c(Cl)c1Cl 2138628812 XAIRACFEEQIKNM-VIFPVBQESA-N 475.939 4.824 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H](Br)CCC12CCC2 2174540450 OGLFEEYJBLVNTI-NSHDSACASA-N 468.560 4.867 50 10 JJGE C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(CBr)c2)[C@H](C)CN1Cc1ccccc1 2179787238 LWWMVSYCBHHIEN-JKSUJKDBSA-N 471.848 4.518 50 10 JJGE CC[C@H](Br)[C@@H]1CCCCN1C(=O)c1ccc(I)c(C)c1 2207108779 QFAZVDWNYNWOTB-ZFWWWQNUSA-N 450.158 4.768 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](O[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 2217090089 FIDGAOUZVIZYSC-YVECIDJPSA-N 463.278 4.547 50 10 JJGE Cc1ccc(C(=O)NC2(CCBr)CCCCC2)cc1I 2232837622 VQXCVEWWIQRVHL-UHFFFAOYSA-N 450.158 4.817 50 10 JJGE Cc1cc(Br)c(CN(C)S(=O)(=O)c2ccc(CBr)s2)s1 2237712637 XTIQDQDNDLENJA-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H](Br)CCC12CCC2 2283662280 JBKBQLMJRJWKTP-LLVKDONJSA-N 468.560 4.867 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1OC 2314634652 SXVOCCTXXGZTOA-MHZLTWQESA-N 468.509 4.849 50 10 JJGE FC(F)(F)C[C@@H](CBr)NCc1ccc(Cl)cc1I 2318542080 VLXIWGQXANJLBK-VIFPVBQESA-N 456.471 4.750 50 10 JJGE N#CC(=C(O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331240304 VVBBWILZUPLXSO-UHFFFAOYSA-N 486.509 4.686 50 10 JJGE CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 9873633 GVKGFYWVUZZGCM-KBPBESRZSA-N 483.790 4.610 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(O[C@@H](C)CC)cc2)cc1 10296112 NGLDVRSHAJJCJL-SFHVURJKSA-N 471.623 4.772 50 10 JJGE COc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)o2)cc1 20248815 YFJYXQXGQNHEGK-OGLMXYFKSA-N 469.497 4.883 50 10 JJGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N/N=C\c1ccc(Cl)c(Cl)c1 33285756 KLFWBRYQBSDFSO-MRUKODCESA-N 457.342 4.582 50 10 JJGE N#C/C(=C/c1cn(CCOc2ccc(F)cc2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 33728960 APYLARRGUGMYSN-ZHZULCJRSA-N 483.499 4.811 50 10 JJGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811718 OKASATCCYIYFTE-MTDXEUNCSA-N 479.920 4.735 50 10 JJGE O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)cc1)c1cccs1 59197707 FLYXOADSDCVBIP-CIAFOILYSA-N 462.312 4.696 50 10 JJGE CN1C(=O)CCc2cc([C@H](Br)c3ccccc3I)ccc21 62807140 BSHWZTYVZKMPDK-KRWDZBQOSA-N 456.121 4.685 50 10 JJGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)c1 66201378 GLIGUZJGOCWLQP-UHFFFAOYSA-N 461.002 4.985 50 10 JJGE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)OC(C)(C)C 100024560 CHEGMYLOGFVODZ-SFHVURJKSA-N 461.430 4.748 50 10 JJGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)C(F)(F)[C@H]1O[Si](C)(C)C(C)(C)C 195853484 LUWQMPCKYNDDGB-XIRDDKMYSA-N 491.728 4.770 50 10 JJGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2OC)cc1OCC 206510215 VAAQFVHSZOEVRU-UXMUESAKSA-N 478.545 4.543 50 10 JJGE CCn1c(SCC(=O)NN=Cc2ccccc2OC)nnc1-c1ccc(C(C)(C)C)cc1 254730229 QOMJLQPPXGJKHD-UHFFFAOYSA-N 451.596 4.514 50 10 JJGE C[C@H](CCBr)CCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 397873011 JPBXAJHQERHOSC-MRVPVSSYSA-N 468.038 4.845 50 10 JJGE ClCCCCCc1cn(-c2cc(Br)ccc2I)nn1 686283892 KMUJEOOTVKVVRH-UHFFFAOYSA-N 454.537 4.586 50 10 JJGE C[C@@H](CBr)[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 696801669 BFZQIMGAGWNMEQ-WCBMZHEXSA-N 465.660 4.738 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2C[C@H](Br)C[C@H]1C2 709780538 VPHFGHXXXIJCAT-BIIVOSGPSA-N 458.013 4.661 50 10 JJGE Cn1c([C@H](NC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2)nc2ccccc21 726270564 CXMZINCKDGBYKI-HSZRJFAPSA-N 455.562 4.604 50 10 JJGE CCOC(=O)Nc1ccc(OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1 730783355 BSKQRMBTNFRDIO-XDJHFCHBSA-N 455.474 4.545 50 10 JJGE COc1ccc(C(=O)NNC(=O)N[C@H](c2ccc(C)cc2)c2ccc(F)cc2Cl)c(OC)c1 731046255 DLUCJRMQPZCWFP-JOCHJYFZSA-N 471.916 4.538 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c(-c2ccccc2)n1 914471450 BKPWXVMQVVVBGB-WZLQQZPBSA-N 467.529 4.567 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)OCc2csc(-c3cnn(C)c3)n2)c(C)n1-c1ccc(F)cc1 918956691 CFILCUHFZUWMEO-GIJQJNRQSA-N 461.522 4.741 50 10 JJGE COc1cc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1 1083991853 JVHALWQWRALVQH-UHFFFAOYSA-N 472.328 4.670 50 10 JJGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCC(C)C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 1084558602 QDHDUWLDTYPNHR-UHFFFAOYSA-N 497.592 4.515 50 10 JJGE C/C(=C/c1ccc(Cl)cc1)C(=O)NNC(=O)COc1ccc(OCc2ccccc2)cc1 1124223860 YSEJABOTHDQDFF-SDXDJHTJSA-N 450.922 4.549 50 10 JJGE COc1ccc(OC)c(NC(=O)Oc2c(Br)cc([N+](=O)[O-])cc2Br)c1 1615948409 HTOMKNVEUFDOGG-UHFFFAOYSA-N 476.077 4.748 50 10 JJGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(CC(C)=O)CC3)n2)cc1 1868527666 FRZQPIYGDZIULG-UHFFFAOYSA-N 488.617 4.570 50 10 JJGE CC(C)[C@@H]1C[C@@H]([C@H](CBr)NC(=O)OC(C)(C)C)CN1C(=O)OCc1ccccc1 1892831327 CIYFTWSIPGNQDN-QYZOEREBSA-N 469.420 4.958 50 10 JJGE O=C(NC[C@@H]1CCCC2(CCC2)[C@@H]1Br)c1sccc1I 1924844947 NYSOUQSAQRACBQ-GXFFZTMASA-N 468.198 4.816 50 10 JJGE CC[C@@H](C[C@@H](C)Br)Nc1ncc(I)cc1Br 1988534075 FRJOYFFLYBSREP-APPZFPTMSA-N 461.967 4.813 50 10 JJGE O=C(c1csc(Br)c1Br)N1CCC(CCBr)CC1 2032953514 KSYNCBBGTSIDAY-UHFFFAOYSA-N 460.029 4.910 50 10 JJGE Cc1nsc(COc2c(Br)cc(Br)cc2CBr)n1 2041016114 UZEMZCJNNPCDGS-UHFFFAOYSA-N 456.985 4.845 50 10 JJGE FC(F)(F)c1cc(I)c(I)cc1CBr 2060236453 UCDMHTLKNIXBKL-UHFFFAOYSA-N 490.826 4.810 50 10 JJGE COc1cccc(Cn2nc(CBr)c(I)c2C(F)(F)F)c1F 2079250712 JUUZCJBTLKIJMP-UHFFFAOYSA-N 493.036 4.597 50 10 JJGE O=C(N[C@@H]1CCCC[C@@H]1CCl)c1ccc(Br)cc1I 2142284845 IKKRQKJREKYYCI-NOZJJQNGSA-N 456.549 4.581 50 10 JJGE Brc1ccc(CN2C[C@H](Br)C3(CCOCC3)C2)c(Br)c1 2174365063 PGPYLBORZGYLHW-AWEZNQCLSA-N 468.027 4.588 50 10 JJGE C[C@@H]1CN(S(=O)(=O)c2cc(CBr)ccc2Cl)[C@H](C)CN1Cc1ccccc1 2179784940 GANGDORRMMLEKG-HZPDHXFCSA-N 471.848 4.518 50 10 JJGE Cc1sc(CBr)cc1S(=O)(=O)N(C)Cc1ccc(Br)s1 2179824100 QXDNHQHQOFZTIH-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1F 2179862015 PNUBBZFGZCBQBX-UHFFFAOYSA-N 478.811 4.990 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@@H](Cl)C2)c1ccc(Br)cc1I 2207269057 YIPKDLCLDBSGOR-JDVFRBCBSA-N 468.560 4.580 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](O[C@@H]2CCCC[C@H]2C(F)(F)F)C1 2217090327 INIGMMCKXUXBLY-YVECIDJPSA-N 463.278 4.547 50 10 JJGE Cc1ccc(I)c(C(=O)N2CCCC[C@H]2[C@@H](C)CBr)c1 2240924103 JZUGQWLAMQRQHX-WFASDCNBSA-N 450.158 4.625 50 10 JJGE C=CC[C@]1(CCl)CCCN(c2ncc(I)cc2Br)C1 2272106905 WIDLRSSRQNTEJF-CQSZACIVSA-N 455.565 4.850 50 10 JJGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1ccc(Cl)c(I)c1 2283669566 PJBNNJXGRADEOC-CYFJXOGMSA-N 468.560 4.721 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1CCCC[C@H]1CBr 2295307894 QHVUMDSPJXCEKK-FZMZJTMJSA-N 468.027 4.824 50 10 JJGE CC1(C)[C@H](Br)CC[C@H]1NC(=O)Cc1cc(Br)cc(Br)c1 2295313428 JSHQMFLFJBFJNB-CHWSQXEVSA-N 468.027 4.822 50 10 JJGE CO[C@H]1C[C@@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C[C@H]1OC 2295329723 LZUBKMWKTPYOCN-QPKOPYBWSA-N 471.027 4.958 50 10 JJGE CC1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CS(=O)(=O)C1 2299508643 KFDWIBYIJPKMJH-QGZVFWFLSA-N 474.214 4.899 50 10 JJGE N#CC(=Cc1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)NC[C@@H]1CCCO1 2313671195 PNCLKQDKTTUQDC-NRFANRHFSA-N 464.363 4.654 50 10 JJGE N#CC(=C(O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc(F)cc2F)cs1 2331293027 JRWHEWMYKRJHEP-UHFFFAOYSA-N 496.451 4.866 50 10 JJGE O=C(C/C(=N/NC(=O)c1ccccc1I)c1ccccc1)c1ccccc1 12571796 IGTZZMJKLWTDBT-GFMRDNFCSA-N 468.294 4.698 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1ccc(Cl)cc1 38651308 VFLOYTMORBYISG-QHCPKHFHSA-N 450.853 4.682 50 10 JJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1 38658168 FROWZVUYNNRLHD-QLXKLKPCSA-N 486.499 4.982 50 10 JJGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)c1 38701243 FMIBUKOZAQFXGC-RRPNLBNLSA-N 498.535 4.829 50 10 JJGE COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1 39858571 ITKTUJQAZUFERU-CYVLTUHYSA-N 466.497 4.658 50 10 JJGE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/C=N/NC(=O)CN(Cc1ccccc1)Cc1ccccc1 59155991 FEXZFBQDLAZHRU-STBIYBPSSA-N 496.571 4.550 50 10 JJGE C/C(=N/NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc(Br)s1 96698235 DVWWOSSPAPMBSK-ODLFYWEKSA-N 484.422 4.527 50 10 JJGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 101339997 CKMNZSPHMOJFLL-LPYMAVHISA-N 469.453 4.656 50 10 JJGE O=S(=O)(NC[C@H]1CCC[C@@H]1Br)c1c(Cl)cc(Br)cc1Cl 136556409 TWMUSNNCQBGBOI-APPZFPTMSA-N 466.022 4.598 50 10 JJGE CC(C)(C)C[C@H](Cl)CNC(=O)c1cc(Br)ccc1I 232492396 ONSMJLPPKCEVBM-JTQLQIEISA-N 458.565 4.827 50 10 JJGE O=C(CSc1nc2ccccc2n1Cc1ccccc1)NN=C/C=C\c1ccccc1[N+](=O)[O-] 254395186 CLLYKSAPCHNZJF-LWROQGQHSA-N 471.542 4.900 50 10 JJGE CC(C)(C)C(=O)[C@H](Br)Cc1cc(I)ccc1Br 304212637 VQWLEKGJUAGWBN-LLVKDONJSA-N 473.974 4.975 50 10 JJGE FC(F)(F)COCC[C@@H](Br)c1cc(I)cc2c1OCC2 312266768 FOSFAEDMOLTDHZ-LLVKDONJSA-N 465.047 4.631 50 10 JJGE C[C@H]1C[C@@H](Br)CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 401605919 FOKZMRNPTXABFM-IONNQARKSA-N 466.022 4.550 50 10 JJGE O=C(Cn1cc(C=NNC(=O)c2cc3ccccc3o2)c2ccccc21)Nc1ccc(F)cc1 1084153750 XQIJMRILYMQOLN-UHFFFAOYSA-N 454.461 4.929 50 10 JJGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2cc(Cl)ccc2Cl)c1C 1084462792 ISJLQHHBGSVQNE-UHFFFAOYSA-N 473.360 4.888 50 10 JJGE C=CCCC[C@H](C(=O)NNC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1)c1ccccc1 1472469598 DWCOVQATFCJPJI-SANMLTNESA-N 453.542 4.892 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccncc2)CCC3)c(Br)c1 1772745689 HYDQGDIVDRQOIZ-UHFFFAOYSA-N 481.350 4.777 50 10 JJGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1C(=NNC(=O)c1ccccn1)CCC2 1772747000 KCVZUGVBQOXWMA-UHFFFAOYSA-N 456.424 4.725 50 10 JJGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cc(C)ccc2O)cc1 1865686920 FFRBZQCQMSCTLS-HSZRJFAPSA-N 450.498 4.780 50 10 JJGE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865695266 AYVZISACIDFOID-GOSISDBHSA-N 457.715 4.520 50 10 JJGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1[C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C 1885096268 HYMFFCOSKGIZTR-WCVJEAGWSA-N 461.441 4.946 50 10 JJGE C[C@H](N)Cc1cc(Br)c(OC[C@H]2C[C@H](Br)C2)c(Br)c1 1887900555 FQAILLCPXCLVNJ-LSJOCFKGSA-N 456.016 4.654 50 10 JJGE CC1(C)CN(C(=O)c2cc(Br)cc(Br)c2)C[C@@H]1CBr 1914531670 ODYPOSXJKVPYJB-JTQLQIEISA-N 454.000 4.705 50 10 JJGE CN([C@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(CCl)sc1Br 2038806533 ILGJGOIPEWCTTF-LSDHHAIUSA-N 464.834 4.618 50 10 JJGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccn1 2123230246 PHYQRGLKUOENED-HNNXBMFYSA-N 451.411 4.990 50 10 JJGE Clc1cc(CN2C[C@H]3C[C@H](Br)CC[C@H]3C2)ccc1I 2142943423 MAPYIXAXHYCSDT-YNEHKIRRSA-N 454.577 4.940 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1C[C@@H]2CCC[C@H](Br)[C@H]2C1 2150957461 DWPPABQTXRHGHA-XDTLVQLUSA-N 468.560 4.580 50 10 JJGE C[C@H](Cl)C12CCC(CC1)N2C(=O)c1cc(Br)ccc1I 2153394173 ZIEZMHGSHDDYII-IEBVAXJPSA-N 468.560 4.818 50 10 JJGE COc1cc(C(=O)N[C@@H](C)CCCCCI)ccc1Br 2192155728 JWERUHQWUXFAJQ-NSHDSACASA-N 454.146 4.571 50 10 JJGE CCC[C@@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@@H]1CCl 2207268730 VKPIOJOWTOMSSS-MNOVXSKESA-N 470.576 4.781 50 10 JJGE CC(C)(C)OC(=O)N[C@@]1(c2ccccc2)CCN(CCCCCI)C1 2220213011 BGWYQPZQYXTDDZ-FQEVSTJZSA-N 458.384 4.718 50 10 JJGE C[C@H]1[C@@H](Cl)C[C@@H](C)CN1C(=O)c1cc(Br)ccc1I 2227619361 MRLHYEQUOLQONL-PTRXPTGYSA-N 456.549 4.532 50 10 JJGE Cc1ccc(I)c(C(=O)N2CC[C@@H](Br)[C@@H]2C(C)(C)C)c1 2240902347 YYWZVVHESTUSNO-TZMCWYRMSA-N 450.158 4.624 50 10 JJGE CCCCCCn1c(SCC(O)=C(C#N)C(=O)NCc2ccccc2)nc2ccccc2c1=O 2297350346 UBONUZRAVJNFPJ-UHFFFAOYSA-N 476.602 4.721 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OCCOc1ccccc1Cl 2297498697 GKUSWBZCCWRCIU-UHFFFAOYSA-N 452.894 4.623 50 10 JJGE C[P@]1(=O)C[C@@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)C1 2306217993 VUPKUMCVKJKHDF-VKHBWIJISA-N 491.929 4.982 50 10 JJGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)c1 2331325398 VJRXJQBDYPEPEW-UHFFFAOYSA-N 454.420 4.594 50 10 JJGE CC(C)(C)N1C[C@@H](Cl)[C@@H](Cc2ccc(I)c(Br)c2)C1 2349833559 GBWKZTKJWZVDIZ-WCQYABFASA-N 456.593 4.934 50 10 JJGE Cc1sc2ncn(CC(=O)N/N=C/c3ccc(C(C)(C)C)cc3)c(=O)c2c1-c1ccccc1 1783843 YERYBOAKTBCEAR-CCVNUDIWSA-N 458.587 4.881 50 10 JJGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccc(OCC(C)C)c(Br)c1 14652879 DXVQBKFLPNUDAV-INIZCTEOSA-N 477.399 4.837 50 10 JJGE CC(C)COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1Br 14653074 LRHWTNIJGQMMBP-UHFFFAOYSA-N 490.398 4.543 50 10 JJGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2F)cc1Br 33344044 HBFNNEXECMXWQA-WDZFZDKYSA-N 454.093 4.905 50 10 JJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccccc3)C(=O)N2c2ccccc2)cc1 33376313 NXZRHGSSGNCXCI-GUNDDFSMSA-N 497.576 4.928 50 10 JJGE Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)cc1 39850263 FKDJRTZWAYVKQL-YDZHTSKRSA-N 469.522 4.915 50 10 JJGE O=C(NNC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1)c1ccccc1 39852355 URYVMLORTVROKM-UHFFFAOYSA-N 456.449 4.694 50 10 JJGE CCOc1c(Br)cc(/C=N/NC(=O)COc2ccccc2C(C)(C)C)cc1OC 40911814 JYYYVEBLSKYYCJ-ZMOGYAJESA-N 463.372 4.683 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3F)c(OC)c2)cc1 58893323 OOFGVDLSJGQGLS-WRIMGEDOSA-N 480.536 4.776 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc1 59153426 CJIGXSXSJILWOA-DUYBAWCLSA-N 468.600 4.535 50 10 JJGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)NC)cc1 101240659 CQCHCJZWTHQCNX-PSRBBBRCSA-N 476.385 4.564 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N(C)[C@H]2CCCC[C@@H]2Cl)cc1Br 158230686 RPATVDLVPOZEJB-STQMWFEESA-N 459.631 4.691 50 10 JJGE Cc1ccc(Cn2cccc(C(=O)N/N=C\c3ccccc3OCc3ccccc3)c2=O)cc1 169920070 CTMUVHIAEMVNGP-MIXAMLLLSA-N 451.526 4.548 50 10 JJGE Cc1[nH]c2ccccc2c1/C=N\NC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 169920475 RKPYIWQXGWWEBW-ZRGSRPPYSA-N 453.329 4.757 50 10 JJGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCC)cc2OC)cc1 206435957 YLBOIXVPDPJGRW-IGUHNSGRSA-N 462.546 4.926 50 10 JJGE N#C/C(=C/Nc1ccc(I)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 217147125 OUUOQJZXQLYMDW-KHPPLWFESA-N 457.193 4.768 50 10 JJGE CO[C@@H]1[C@@H](Br)C[C@H]1Oc1c(Br)cc(Br)cc1Br 252839696 CEONJCHWSKHDHM-IQJOONFLSA-N 493.815 4.904 50 10 JJGE COc1cccc(C(C)=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)c1 254295539 AYHPRFXNNWPKGW-UHFFFAOYSA-N 471.586 4.884 50 10 JJGE O=C(NN=Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1)c1ccccc1[N+](=O)[O-] 254631111 HJYHTPBGEMFGPH-UHFFFAOYSA-N 469.460 4.621 50 10 JJGE C[C@@H]1CCCN(C(=O)c2cc(I)ccc2Br)[C@@H]1CCCl 697196252 ZLIZQPLPFUCQCR-QMTHXVAHSA-N 470.576 4.923 50 10 JJGE O=C(N[C@H](CCCl)C1CCCC1)c1cc(Br)ccc1I 725041463 BDOFETVQRUPYAE-CQSZACIVSA-N 470.576 4.971 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCC)cc2OCC)cc1 1084613956 VPSRRFDQKJCKGO-HXUWFJFHSA-N 493.398 4.609 50 10 JJGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H](CS(=O)(=O)c3ccccc3)C2)n1 1868480325 KVXHAPQFNVKEOM-LJQANCHMSA-N 479.631 4.792 50 10 JJGE O=C(Nc1c(Br)cc(Br)cc1Br)[C@H]1C[C@H]1Br 1897162102 ROQYGHAPGVADRU-NTSWFWBYSA-N 476.788 4.696 50 10 JJGE Cc1csc(C(=O)N[C@@H](CCBr)COCc2ccccc2)c1Br 1902790627 MVUMPBKSFLPBFG-AWEZNQCLSA-N 461.219 4.919 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CC[C@H](Br)[C@H]2CC[C@H]21 2069991363 MOZRILJNTQBWRI-BKPPORCPSA-N 458.013 4.661 50 10 JJGE CCN1CCC[C@@H]([C@H](Br)c2scc(Br)c2Br)S1(=O)=O 2089521149 ZYMYFZFHAXHYDB-WPRPVWTQSA-N 496.084 4.523 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1N(C(=O)OCc1ccccc1)C2)c1ccc(CBr)cc1 2106202763 YXODCAJJEFWIIU-HLAWJBBLSA-N 457.368 4.501 50 10 JJGE O=C(NC12CCC(CCl)(CC1)C2)c1cc(I)ccc1Br 2189300647 ZHVSWNPMYKSKSA-UHFFFAOYSA-N 468.560 4.725 50 10 JJGE C[C@]1(CBr)C=CCCN1C(=O)c1cc(Br)c(Br)s1 2253433562 DPYQKUGJFRCZFR-GFCCVEGCSA-N 458.013 4.829 50 10 JJGE C[C@@H](Br)CN(C(=O)c1ccc(Br)cc1Br)C1CCC1 2272451620 KAUDVWXZVGTBEA-SECBINFHSA-N 454.000 4.990 50 10 JJGE N#CC(=Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 2313566978 FNUVLJCAXXLVSL-UHFFFAOYSA-N 491.551 4.854 50 10 JJGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2ccccc2)c(Br)c1 2313568593 WYNRHULYCCGQMN-UHFFFAOYSA-N 464.157 4.786 50 10 JJGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)CC1=O 2331346812 IPWNQXVUUJHLHP-OAHLLOKOSA-N 484.537 4.924 50 10 JJGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)C(=O)N1CCOCC1 35446006 HSCCHNNQHZTYQE-XIEYBQDHSA-N 490.563 4.884 50 10 JJGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc21 38650099 LPPYQDMWGJMSOC-XMMPIXPASA-N 462.889 4.551 50 10 JJGE COc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1COc1ccc([N+](=O)[O-])cc1 98063491 ZFKVWWBOYUHFJR-SBGXLDQMSA-N 457.486 4.967 50 10 JJGE C/C(CC(=O)Nc1ccc(Nc2ccccc2)cc1)=N\NC(=O)C(=O)Nc1cc(C)ccc1C 100090266 AUKCILOOHDWRMQ-NDZAJKAJSA-N 457.534 4.506 50 10 JJGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 101338198 KARQEQITJORGAA-PXLXIMEGSA-N 453.454 4.690 50 10 JJGE CN1/C(=C/C=NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)C(C)(C)c2ccccc21 252513350 YRQBGYUIMJSJHH-HVHYMLJISA-N 480.615 4.576 50 10 JJGE CCCCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 254306964 DDCQASOBQGTZSV-UHFFFAOYSA-N 460.530 4.786 50 10 JJGE C[C@@H](Br)[C@@H]1CCCCN1c1ncc(C(F)(F)F)cc1I 686107690 XVJIDCCSKOHSRD-KCJUWKMLSA-N 463.079 4.847 50 10 JJGE C[C@H](Br)C1CCN(C(=O)c2scc(Br)c2Br)CC1 705409617 MZPIQUVNAVJMGD-ZETCQYMHSA-N 460.029 4.909 50 10 JJGE COC(=O)c1ccc(F)c(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1 844825147 HPLQOYKTYMMVSX-BOPFTXTBSA-N 477.883 4.589 50 10 JJGE Cc1cccc(C)c1NC(=O)CN(C)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C 857995315 CHKKBVXLPBEFOI-HMAPJEAMSA-N 458.537 4.854 50 10 JJGE CC1=C(C(=O)NN=Cc2cccc(Br)c2)[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 1084387889 ZFWVMALWHVTQEU-KRWDZBQOSA-N 498.233 4.699 50 10 JJGE C#CCCCC(=O)NNC(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 1199614253 MVEMBTJGNRESCU-UHFFFAOYSA-N 452.898 4.530 50 10 JJGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865698161 LUYNFYIGBCSYLK-XMMPIXPASA-N 450.498 4.577 50 10 JJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1 1865708532 AQFRAANBDWRWHP-KRWDZBQOSA-N 488.853 4.608 50 10 JJGE C[C@H](NC(=O)Cc1ccc2nc(O)c(Cc3ccccc3)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1867086708 ZRUGKBLVTCQDQV-SFHVURJKSA-N 496.592 4.790 50 10 JJGE CCCC[C@H](NC(=O)c1cc(-c2cc(F)ccc2F)n(C)n1)C(=O)Nc1ccc(SC#N)cc1 1867104112 SIUFRVXQULLXHM-FQEVSTJZSA-N 483.544 4.866 50 10 JJGE CC(C)([C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)[S@@](=O)CC1CC(Cl)C1 1991724581 XXEAFDZHSXUBLJ-UPIIBZHASA-N 490.021 4.523 50 10 JJGE C[C@H]1C[C@@H](Br)CCN(C(=O)c2scc(Br)c2Br)C1 2041563779 QDNUREBJMAWLBW-YUMQZZPRSA-N 460.029 4.909 50 10 JJGE C[C@@H](Br)[C@@H](NC(=O)c1csc(Br)c1Br)C(F)(F)F 2074715214 DSGQLCGOZQIMHI-AWFVSMACSA-N 473.934 4.717 50 10 JJGE CN(C1CC(OCc2ccccc2)C1)S(=O)(=O)c1ccc(Br)c(CCl)c1 2100217047 RBTHZNHLGVIFEY-UHFFFAOYSA-N 458.805 4.556 50 10 JJGE O=C(c1c(Br)cccc1Br)N1[C@H]2CC[C@@H](C2)[C@@H]1CBr 2122170104 GQIQKKWBBTZKLB-AUTRQRHGSA-N 451.984 4.600 50 10 JJGE CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2123268604 MGYQHPVERGULAU-UHFFFAOYSA-N 480.255 4.641 50 10 JJGE ClC1CCC2(CCCN2c2ncc(I)cc2Br)CC1 2137569898 PNKHMVIQZMCENX-UHFFFAOYSA-N 455.565 4.969 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2143979572 YBFWXCKFUQDSKQ-PUYPPJJSSA-N 468.560 4.723 50 10 JJGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cc1Cl 2179791048 MBVXUQBDFHLUBK-SFHVURJKSA-N 471.848 4.520 50 10 JJGE Cc1c(Br)cnc2c1nc(CCl)n2-c1ccc(I)cc1 2184922141 GZOSXUDGJYGKMD-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE C[C@@]1(CNC(=O)c2ccc(Br)cc2I)CCC[C@H]1Cl 2271296020 UVZVVTHANJRQJS-OCCSQVGLSA-N 456.549 4.581 50 10 JJGE CN(C(=O)Cc1cc(Br)cc(Br)c1)[C@@H]1CCC[C@H]1Br 2277936484 XMBZHLXNFVMURR-CHWSQXEVSA-N 454.000 4.529 50 10 JJGE O=S1(=O)CCC[C@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288499366 SQVIPRFFEFYIOT-WKEGUHRASA-N 496.993 4.751 50 10 JJGE CN(C(=O)Cc1cc(Br)cc(Br)c1)C1CCC(Br)CC1 2295311059 FVXBVMVXTRDPHQ-UHFFFAOYSA-N 468.027 4.919 50 10 JJGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1cc(Br)c(Br)s1 2310046588 IBOFUKNHDPDJFB-LKHWLPBLSA-N 458.013 4.565 50 10 JJGE N#CC(=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)N1CCOCC1 2313543555 LZQUFXBNCAXDCC-UHFFFAOYSA-N 453.745 4.612 50 10 JJGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)COc2ccc(Cl)cc2Br)c1 2314770548 IDRQNMMJBDKIOP-UHFFFAOYSA-N 464.699 4.557 50 10 JJGE C[C@H](NC(=O)C(C#N)=Cc1cn(CCC#N)nc1-c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 2319693838 DWMHADGVQNMNDL-INIZCTEOSA-N 469.936 4.778 50 10 JJGE COc1ccc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1OCc1ccc(C)cc1 2328824698 XDTMKCHLUFFIRY-QFIPXVFZSA-N 483.609 4.972 50 10 JJGE CN(C)c1ccc([C@@H](CNC(=O)C(C#N)=Cc2ccc(Br)cc2)N2CCCCC2)cc1 2329659936 CHGUYWONEQSDIU-XMMPIXPASA-N 481.438 4.765 50 10 JJGE COCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1 2331124026 DWPORRJRIQCWON-GOSISDBHSA-N 481.618 4.569 50 10 JJGE FC(F)(CI)C(F)(F)CNCc1cccc(Br)c1Cl 2336539515 SIZAIONLUNDENF-UHFFFAOYSA-N 474.461 4.898 50 10 JJGE FC(F)(CBr)[C@H]1CCN(Cc2ccc(Cl)c(I)c2)C1 2337218091 DWLZKLSWVRUZPD-JTQLQIEISA-N 464.519 4.797 50 10 JJGE ClC[C@@]1(CNCc2ccc(I)c(Br)c2)CC12CCC2 2349851549 DKSHVVVUJDXWDR-OAHLLOKOSA-N 454.577 4.943 50 10 JJGE C[C@H](Br)CCCc1cn(Cc2ccc(Cl)c(I)c2)nn1 2362355106 YEPZQBYISJTBHM-JTQLQIEISA-N 468.564 4.691 50 10 JJGE CC(C)(C)OC(=O)N[C@@]12CCC(F)(F)C[C@@H]1CN(C[C@H](CBr)CC1CC1)C2 2370219735 MSHRPFXYIAWVSU-FRQCXROJSA-N 451.396 4.812 50 10 JJGE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(C[C@@]1(CBr)CC1(F)F)CC2 2379985938 MACZBOMANNFXBQ-BEFAXECRSA-N 451.396 4.764 50 10 JJGE N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 778277 SJKTYWXZGGEDOW-JWGURIENSA-N 483.549 4.612 50 10 JJGE CC(C)CCOc1ccc(C(=O)NNC(=O)COc2cccc3ccccc23)cc1Br 14645677 GYXUBJVRADGSEW-UHFFFAOYSA-N 485.378 4.867 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)c1 38650210 AUZFERWLAMVCJH-SANMLTNESA-N 456.498 4.515 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1OC 38658371 SNYQXFRMJXQPRS-VWLOTQADSA-N 492.915 4.560 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1OC 38658582 DXBOOJQMXBDYLE-MHZLTWQESA-N 486.524 4.523 50 10 JJGE COc1ccc(Br)cc1/C=C/C(=O)Oc1ccc(/C=C(\C#N)C(=O)NC(C)C)cc1OC 40948844 QPYRXBUPUUSWQS-RAMZCSBVSA-N 499.361 4.517 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(C)c([N+](=O)[O-])c3)c2C)cc1 58893371 QJNNUQINFQWZRT-OSYJHYBZSA-N 478.549 4.673 50 10 JJGE CCCN(CCC)c1ccc(C(=O)N/N=C2/C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc32)cc1 59167383 JLMFHKLTCPPCEN-PBBVDAKRSA-N 499.571 4.902 50 10 JJGE Cc1cc(C=NNC(=O)CSc2nc3ccccc3s2)c(C)n1-c1ccc(C(=O)O)cc1 254441548 IRNFTQLBQNNQFE-UHFFFAOYSA-N 464.572 4.644 50 10 JJGE COc1cc(C=NNC(=O)CNc2cccc3ccccc23)ccc1OC(=O)c1cccc(F)c1 254557234 MUAVMYXOVABZTQ-UHFFFAOYSA-N 471.488 4.769 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CCC(F)(F)[C@H](CBr)C1 403940511 CAGHSEUBERJTEI-SECBINFHSA-N 475.953 4.704 50 10 JJGE FC(F)(F)c1cnc(N2CCC[C@H](CCBr)C2)c(I)c1 686110610 DYYLLTJYJARQRX-SECBINFHSA-N 463.079 4.706 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H]2C[C@@H](Br)C[C@H]1C2 709778530 CJDGRLQJSLXBOZ-XLPZGREQSA-N 458.013 4.661 50 10 JJGE O=C(N[C@@H](CCBr)C1CCCCC1)c1ccc(I)cc1 725037965 RMTJDRJAXYNUIN-HNNXBMFYSA-N 450.158 4.755 50 10 JJGE Cc1ccc(NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1C 853446950 HZQRMMQBCOMVET-AREJXAQWSA-N 467.529 4.558 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2cccc(N3CCCCC3=O)c2)c(-c2ccccc2)n1 914782243 FBAUTBUXUKOMHJ-LTGZKZEYSA-N 464.529 4.526 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)cc1 1084300409 BTGHXXDFDOWIGY-QHCPKHFHSA-N 465.506 4.834 50 10 JJGE C=CCc1cccc(C=NNC(=O)CCCSc2nc3ccc([N+](=O)[O-])cc3s2)c1O 1084634641 PLYRTTBOERJZFM-UHFFFAOYSA-N 456.549 4.661 50 10 JJGE Nc1cc(C(F)(F)F)ccc1[C@@H]1CN(Cc2ccccc2)C[C@@H]1CI 1614640004 DLBYSYGCLSMGRW-WMLDXEAASA-N 460.281 4.938 50 10 JJGE COc1ccccc1/C(C#N)=C/c1cccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)c1 1615067272 SXVJDRPJVKBYEP-CAPFRKAQSA-N 466.493 4.741 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681274 JCVZBIINTMBXIV-HSZRJFAPSA-N 450.498 4.531 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc2c(c1)OCCO2 1865698363 QYFTUKNYVGIYDM-SFHVURJKSA-N 488.853 4.593 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1F 1872752894 XZIMNTKXOJLJFF-JWGURIENSA-N 482.493 4.652 50 10 JJGE COCc1cc(Br)c([C@H](Br)c2c(Br)c(C)nn2C)s1 1877180182 DCBOZZIJJLIRLU-SNVBAGLBSA-N 473.028 4.946 50 10 JJGE C[C@@H]([C@H](Br)c1cc(Br)ccc1OCc1ccccc1)S(C)(=O)=O 1899891450 GKAMNWTVKXTTFD-SJCJKPOMSA-N 462.203 4.897 50 10 JJGE CC(C)CCN(CCCl)C(=O)c1cc(I)ccc1Br 1924493698 VALFOJGHDMXFLK-UHFFFAOYSA-N 458.565 4.781 50 10 JJGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C[C@H](CBr)c2ccccc2)C1 1999507186 GIQCLTFQSBWTRX-QFIPXVFZSA-N 489.454 4.649 50 10 JJGE CC(C)(C)[C@H](CCl)CNC(=O)c1ccc(I)c(Br)c1 2090192855 WSXZMFLLJUBRIT-SNVBAGLBSA-N 458.565 4.685 50 10 JJGE O=C(N[C@H]1CCCC[C@@H]1CBr)c1c(Br)cccc1Br 2094087710 CDGLVBVAKKXPIC-SKDRFNHKSA-N 454.000 4.895 50 10 JJGE CC1(C)C[C@H](CCl)N(C(=O)c2cc(Br)ccc2I)C1 2094742724 BQQIFCSLAKAYFC-SNVBAGLBSA-N 456.549 4.533 50 10 JJGE COCc1cc(Br)c([C@@H](Br)c2c(C)nn(C)c2Br)s1 2129267856 NQXBKECQCVCBOW-JTQLQIEISA-N 473.028 4.946 50 10 JJGE CC1(C)CC[C@H](Cl)CN1C(=O)c1ccc(Br)cc1I 2142281331 OYWYCPCNGGSJOY-JTQLQIEISA-N 456.549 4.676 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CC[C@H](Br)C(F)(F)CC1 2150020310 ZOTHKFHGUFJYHU-NSHDSACASA-N 478.502 4.579 50 10 JJGE O=C(NC1(CBr)CC2(CCC2)C1)c1ccc(I)c(Cl)c1 2163543343 ZNSMEZFXZBADRR-UHFFFAOYSA-N 468.560 4.772 50 10 JJGE O=S(=O)(c1cc(F)c(Cl)c(CBr)c1)N1CC[C@@H](COCc2ccccc2)C1 2179862495 XEBXDAQHXSVQCI-OAHLLOKOSA-N 476.795 4.601 50 10 JJGE C[C@@H](Br)CCCc1cn(Cc2cc(Br)ccc2Br)nn1 2189280833 XGHTWNFCUWOKEO-SNVBAGLBSA-N 466.015 4.958 50 10 JJGE C=CC[C@@]1(CBr)CCN(C(=O)c2cc(Cl)ccc2I)C1 2287748829 VGLCIIROKHATKF-HNNXBMFYSA-N 468.560 4.748 50 10 JJGE COc1ccc(C=C(C#N)C(=O)Nc2ccc3c(c2)OCO3)cc1COc1cc(F)ccc1[N+](=O)[O-] 2297616637 UUTHZPOCPUNPAX-UHFFFAOYSA-N 491.431 4.596 50 10 JJGE CC(C)(CI)CN=[S@](C)(=O)c1cccc(NC(=O)OC(C)(C)C)c1 2306815417 KDAWVBLWQFBDLO-XMMPIXPASA-N 466.385 4.952 50 10 JJGE CN(C)C(=O)C(C#N)=Cc1ccc(OCc2ccccc2Cl)c(I)c1 2313567751 OBTRQAIQCPXTJT-UHFFFAOYSA-N 466.706 4.519 50 10 JJGE Cc1cc(=O)oc2cc(OCC(=O)NN=Cc3ccccc3OCc3ccccc3Cl)ccc12 2328804130 SESRAMIDGUKHSD-UHFFFAOYSA-N 476.916 4.863 50 10 JJGE CC1(C)CC(CBr)(CN=[S@@](C)(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 2345008760 UEICQEWNVBYCLL-HAWMADMCSA-N 451.471 4.685 50 10 JJGE O=C(N[C@H]1C[C@@H](CBr)C12CCC2)c1cc(Br)cc(Br)c1 2379721883 UBSRLDZBEQIHRZ-GWCFXTLKSA-N 466.011 4.895 50 10 JJGE CC(C)c1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14040275 CBWZTOSYJYDIOM-INIZCTEOSA-N 491.426 4.864 50 10 JJGE O=C(NN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccc(Cl)cc1 15462477 AIZIXFZVGZRPSJ-IBGZPJMESA-N 459.289 4.516 50 10 JJGE C/C(=N\NC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1)c1ccc([N+](=O)[O-])cc1 33340531 KNPXHNRTWJFSLX-YZSQISJMSA-N 455.474 4.718 50 10 JJGE Nc1c(NNC(=O)c2cccc(Cl)c2)ncnc1Nc1cc(C(F)(F)F)ccc1Cl 40682697 ZESPVTMKSVYAEF-UHFFFAOYSA-N 457.243 4.885 50 10 JJGE Nc1c(NNC(=O)c2cccc3ccccc23)ncnc1Oc1ccc(Br)cc1 40793385 KYYFSZUXNNYFCG-UHFFFAOYSA-N 450.296 4.524 50 10 JJGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2cccs2)cc1 254634610 WLZHOTNKNVLPSV-UHFFFAOYSA-N 457.596 4.674 50 10 JJGE COc1ccc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)c(C(=O)O)c1OC 254683393 SFQOCXQQMPVABS-UHFFFAOYSA-N 457.486 4.623 50 10 JJGE C[C@@]1(CCl)CCCN(C(=O)c2cc(I)ccc2Br)C1 688122689 DLLFIBAKDRCVBC-AWEZNQCLSA-N 456.549 4.535 50 10 JJGE O=C(N[C@H](CCl)c1ccccc1)c1ccc(I)c(Br)c1 721573228 PPXRXPVMDJKCHU-CQSZACIVSA-N 464.528 4.764 50 10 JJGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084393557 QLBYCDFFNKXZBW-UHFFFAOYSA-N 498.004 4.559 50 10 JJGE C/C(=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(=O)NNc1nc[nH]n1 1161431535 IETKJFSXBABGRG-XMHGGMMESA-N 455.518 4.509 50 10 JJGE Cc1c(C(=O)NNc2ccccc2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744069 RFSXBCMQPCVFBP-UHFFFAOYSA-N 481.350 4.578 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865684659 UZYSYLAXJWWPAV-QHCPKHFHSA-N 498.514 4.678 50 10 JJGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(OC)c1O)C(C#N)=C(N)O2 1865684739 XAIGRHHQUPRFGT-LJQANCHMSA-N 471.344 4.733 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)c(OC)c1 1865708030 MDDGIRCVDZXBNX-FQEVSTJZSA-N 457.317 4.723 50 10 JJGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2OC)cc1 1865710039 MZMXANJYDDKLQE-QHCPKHFHSA-N 450.498 4.775 50 10 JJGE COc1cccc(-c2csc(/C(C#N)=C(\O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c1 1872744297 LMBGPPLBWOTKMX-DQVIVYRFSA-N 459.527 4.932 50 10 JJGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)c1 1873921044 REVNDLQBCFLMGK-QNGOZBTKSA-N 469.475 4.703 50 10 JJGE C[C@@H]1C[C@@H](CBr)CCN1C(=O)c1cc(Br)cc(Br)c1 2115844934 VYQZCRICVSKKDL-ZJUUUORDSA-N 454.000 4.847 50 10 JJGE O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N(Cc1ccccc1)[C@H]1CCOC1 2123254665 OMQHFTQMNQCCIE-AWEZNQCLSA-N 479.223 4.868 50 10 JJGE C[C@H](Br)CCCc1cn(-c2ccc(I)cc2Br)nn1 2132761645 HTMJTHUZFIEADA-VIFPVBQESA-N 498.988 4.741 50 10 JJGE C[C@H](NC(=O)c1ccc(Br)cc1I)[C@@H]1CCC[C@H]1Cl 2142289098 XDIFWIWIEQBZLY-PTOFAABTSA-N 456.549 4.580 50 10 JJGE Cc1cc(S(=O)(=O)N(C)[C@@H]2CC(C)(C)[C@@H]2OCc2ccccc2)sc1CBr 2179825367 GJAFBNHYQMJPFN-VQIMIIECSA-N 472.470 4.956 50 10 JJGE CC1(C)CCCN(S(=O)(=O)c2cc(Cl)c(Br)s2)[C@H]1CBr 2185810693 FBRRKNCSLIOPEH-VIFPVBQESA-N 465.660 4.738 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCc2ccccc2C(F)(F)F)C1 2220471570 IHIWOBPDURVKNO-ZIAGYGMSSA-N 471.257 4.645 50 10 JJGE CC(C)c1cc(Br)cc(C(=O)N2C[C@@H](Br)[C@H](Br)C2)c1 2266015837 CKDKAPYZNWDYLC-CHWSQXEVSA-N 454.000 4.555 50 10 JJGE COc1ccc(C=CC(=O)Oc2ccc(C=NNC(=O)COc3ccc(Cl)c(C)c3)cc2)cc1 2295464471 HDHSNRXWHFCZFX-UHFFFAOYSA-N 478.932 4.805 50 10 JJGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCCc3ccccc3)c(Oc3ccc(Cl)cc3)nc12 2296719449 UWCVQHMYOGQBRY-UHFFFAOYSA-N 484.943 4.715 50 10 JJGE C[P@]1(=O)C[C@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 2306217992 VUPKUMCVKJKHDF-MIHTYCSTSA-N 491.929 4.982 50 10 JJGE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccccc2Cl)c1 2314533286 PYNVCBWZLJUQRW-UHFFFAOYSA-N 456.889 4.994 50 10 JJGE C[C@H](Cl)[C@@H](NCc1ccc(I)c(Br)c1)C(F)(F)F 2325211180 GLCQQDBBIMZYQE-QUBYGPBYSA-N 456.471 4.702 50 10 JJGE C[C@@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)CC1=O 2331330821 JAHHYKFLDXUQLL-QFBILLFUSA-N 473.554 4.984 50 10 JJGE CC[C@@H](N)Cc1cc(Br)cc(Br)c1OC[C@@H]1C[C@H]1Br 2332469899 LRDKJOKBWLUMMU-MVWJERBFSA-N 456.016 4.654 50 10 JJGE CC(C)(C)OC(=O)NCC1CCS(=O)(=NC[C@@](C)(CBr)C(C)(C)C)CC1 2352082875 PYKMMNJNMAAYSN-IPTBPZDESA-N 453.487 4.836 50 10 JJGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl 10683414 CIBGWBPFDJWIBJ-UZLBHIALSA-N 459.974 4.577 50 10 JJGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1C 14648295 NAOFIFQYYMOKSV-UHFFFAOYSA-N 463.372 4.557 50 10 JJGE C[C@H](C(=O)Oc1cccc(/C=C(/C#N)c2cccc(Cl)c2)c1)N1C(=O)c2ccccc2C1=O 31902507 UQDTWILFDPPQQR-BKAYVGFPSA-N 456.885 4.994 50 10 JJGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)c1 38684927 NUPDHFCKCVWONM-IVCQMTBJSA-N 474.488 4.815 50 10 JJGE Cc1ccnc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)c1 40811824 BZVLFLAEIBXUDB-WPWMEQJKSA-N 481.350 4.777 50 10 JJGE CCOC(=O)c1c(NC(=O)N/N=C/c2cc(Br)ccc2O)sc2c1CC[C@H](C)C2 40851505 JXDSTUGNICLDCL-ZOCVZFIWSA-N 480.384 4.673 50 10 JJGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 101234660 AJFFADKKHPYPOB-CRRKTRLDSA-N 470.407 4.879 50 10 JJGE COc1cc(CBr)cc(OC)c1OCc1ccc(I)cc1 115901845 XMBPYGVBZBKJIO-UHFFFAOYSA-N 463.109 4.782 50 10 JJGE C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2ccccc2C(F)(F)F)cc1 254294149 SAJXYSZCOBQYOS-IRXDYDNUSA-N 461.484 4.638 50 10 JJGE CC(C)N(C[C@@H](C)Br)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 691371210 IRDDMVRAJQLMNI-MRVPVSSYSA-N 468.038 4.938 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CCCC[C@H](CBr)C1 696785465 LHQNFKMGYTVZDD-SNVBAGLBSA-N 454.000 4.849 50 10 JJGE COc1cc(C(=O)NN=Cc2cccn2-c2ccc(Cl)cc2)ccc1I 1084233293 BBTPDGVDVJUEBV-UHFFFAOYSA-N 479.705 4.508 50 10 JJGE O=C(COc1ccc2c(c1Br)CCCC2)NN=Cc1c(O)ccc2ccccc12 1084274840 SGCVTXJFYHLRCH-UHFFFAOYSA-N 453.336 4.716 50 10 JJGE O=C(CSCc1ccc(Cl)cc1)NN=Cc1cc(Br)cc(Br)c1O 1084392519 VZMASOQYQVNKMH-UHFFFAOYSA-N 492.620 4.954 50 10 JJGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(-c2ccc(I)cc2)o1 1084473822 YMZJUZFBNWZBAK-LJQANCHMSA-N 474.298 4.515 50 10 JJGE O=C(NN=Cc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1)C(F)(F)F 1772742829 KYJBPNCDLFKIHY-UHFFFAOYSA-N 457.637 4.725 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1ccccc1 1865680659 RKBHLEWICNWHBF-HNNXBMFYSA-N 461.241 4.872 50 10 JJGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(O)c(O)c2)c1 1865680910 ZQURCXLWQDNTMT-DEOSSOPVSA-N 464.525 4.845 50 10 JJGE Cc1cccc(C)c1OCCCC(=O)NNC(=O)c1ccc(-c2ccc(F)c(F)c2)nc1C 1865756980 HRRUQCNEAUOZHP-UHFFFAOYSA-N 453.489 4.572 50 10 JJGE O=C(c1scc(Br)c1Br)N1CC[C@@H](Br)C2(CC2)C1 2032265054 WHCHNJPSRMZDTR-MRVPVSSYSA-N 458.013 4.663 50 10 JJGE C[C@@H]1CCN(C(=O)c2csc(Br)c2Br)C[C@H]1CBr 2032955814 FQBOBWICXIPMKC-HTQZYQBOSA-N 460.029 4.766 50 10 JJGE O=C(N[C@@H](CBr)C1CCCC1)c1cccc(Br)c1Br 2092329629 YQOFRSYEMIVMPM-LBPRGKRZSA-N 454.000 4.895 50 10 JJGE O=C(NC[C@@H]1CCC[C@H]1CBr)c1cccc(Br)c1Br 2092339252 BZWRVMNXACMCME-UWVGGRQHSA-N 454.000 4.753 50 10 JJGE CC1(C)CO[C@@H](CBr)CN1Cc1cc(Br)ccc1Br 2118533968 FAKIBUASABGDQL-LBPRGKRZSA-N 456.016 4.586 50 10 JJGE CC[C@@H](C)[C@@H](CI)NC(=O)c1cc(Cl)c(C)c(Br)c1 2136494889 UQFUNFMTPJKNIA-AMIZOPFISA-N 458.565 4.990 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2143972705 HPNWTPGOSXVNOX-UDZFHETQSA-N 466.011 4.990 50 10 JJGE O=S1(=O)CCC[C@H]([C@@H](Br)c2scc(C(F)(F)F)c2Br)C1 2146094071 CYMJMADUMXXXCT-POYBYMJQSA-N 456.143 4.790 50 10 JJGE ClCCc1nc2ncccc2n1-c1cc(I)ccc1Br 2175974381 GRRUDYMPWCVEJX-UHFFFAOYSA-N 462.516 4.569 50 10 JJGE O=C(NCC[C@H]1CCCC[C@@H]1Cl)c1ccc(I)c(Br)c1 2179629165 JUUAASWIJFQIAW-MFKMUULPSA-N 470.576 4.971 50 10 JJGE C[C@H]1[C@@H](Br)C[C@@H](C)CN1C(=O)c1csc(Br)c1Br 2220346523 ZBEYDWCGNLESCA-FJXKBIBVSA-N 460.029 4.907 50 10 JJGE Cn1cc(Br)c(-n2c(CCl)nc3cc(Br)c(Br)cc32)n1 2234071039 VWQSQERJRGISKH-UHFFFAOYSA-N 483.389 4.785 50 10 JJGE CN(C[C@H]1C[C@H]1Br)C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2241638162 UCGNQGYKUSULHW-OPAMFIHVSA-N 471.395 4.547 50 10 JJGE CS(=O)(=O)C1CC([C@H](Br)c2cc(Br)sc2Br)C1 2249071835 NGRBZNNGBKZJNX-BIFUPNIPSA-N 467.042 4.532 50 10 JJGE COc1cccc(NC(=O)C(C#N)=Cc2c(Oc3cc(C)cc(C)c3)nc3ccccn3c2=O)c1 2314531744 DQYGLDMASJZWSF-UHFFFAOYSA-N 466.497 4.658 50 10 JJGE Cn1cc(I)c(C[C@@H](CBr)c2ccccc2Br)n1 2319151493 HCBZBIIGYGTXFH-VIFPVBQESA-N 483.973 4.508 50 10 JJGE CC[C@@H](NC(=O)C(C#N)=CNC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc2c(c1)CCCC2 2325092785 LUOOPKPMCBGESS-XMMPIXPASA-N 466.626 4.529 50 10 JJGE C[C@@]12CN(Cc3ccc(I)c(Br)c3)C[C@]1(CBr)C2 2325220325 HOBUCSSWRXFKPK-ZIAGYGMSSA-N 485.001 4.661 50 10 JJGE CCOC(=O)c1sc(NC(=O)C(C#N)=Cc2ccc(Br)cc2)c(C(=O)OCC)c1C 2329663803 UEXNKDXSJFFVIC-UHFFFAOYSA-N 491.363 4.718 50 10 JJGE COc1cc(-c2csc(C(C#N)=C(O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)c(OC)cc1Cl 2331376881 GCFXNUCEFCQHPM-GFCCVEGCSA-N 495.944 4.958 50 10 JJGE CCC[C@@H](Br)c1cn(Cc2ccc(Cl)cc2I)nn1 2341029525 GVBRIFMFWSNTAN-LLVKDONJSA-N 454.537 4.821 50 10 JJGE CC[C@@]1(C)[C@H](Br)CCN1c1ncc(C(F)(F)F)cc1I 2361986751 HYCVJNURKBGOGQ-PWSUYJOCSA-N 463.079 4.847 50 10 JJGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1 38687546 MZXFFWOZWTZREJ-SVBPBHIXSA-N 498.535 4.829 50 10 JJGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813061 BSTKHZAVLUJJCB-NLRVBDNBSA-N 466.881 4.872 50 10 JJGE COc1ccc([C@@H](C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)CCl)cc1OC 97914568 AAVGNGIORDQACE-VWLOTQADSA-N 473.013 4.504 50 10 JJGE O=S1(=O)CCCC[C@@H]1[C@H](Br)c1cc(Br)ccc1Br 169021772 NPAAVXADTLGDOA-VXGBXAGGSA-N 461.013 4.615 50 10 JJGE CCCOc1c(Cl)cc(/C=N/NC(=O)c2cc(-c3cccs3)nc(O)n2)cc1Cl 169923674 VZNANNZGGIQRSS-LSHDLFTRSA-N 451.335 4.770 50 10 JJGE O=C1Cc2cc([C@H](Br)c3cc(Cl)ccc3I)ccc2N1 236084112 ASHKZRZXWMHENZ-HNNXBMFYSA-N 462.512 4.924 50 10 JJGE CCc1ccc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)cc1 252632181 VPYYQAMXJTVRCK-QFEJOQHDSA-N 474.992 4.890 50 10 JJGE CCCCC(=NNC(=O)[C@]1(C)CC1(Br)Br)c1ccc(OCC)cc1 254682657 KMNIUILRFKFXAX-KRWDZBQOSA-N 460.210 4.992 50 10 JJGE Cc1cc(C(=O)O)ccc1-n1c(C)cc(C=NNC(=O)Cc2cccc(C(F)(F)F)c2)c1C 254702035 NMRRZZUWJBATFB-UHFFFAOYSA-N 457.452 4.812 50 10 JJGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=Cc1ccccc1O 263629177 ZPTYIHGYORJVFJ-UHFFFAOYSA-N 466.613 4.932 50 10 JJGE Cc1sc(Br)cc1[C@@H](Br)c1cnn(C)c1I 382165498 JKMOTCJUPMNIIF-SECBINFHSA-N 475.975 4.641 50 10 JJGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N1CC[C@@H](COCc2ccccc2)C1 383963480 COYDUVPIPOELIQ-QGZVFWFLSA-N 472.832 4.724 50 10 JJGE C[C@H](Cn1c(CCl)nc2cc(I)ccc21)N(C)Cc1ccccc1 390467901 BAYJCHIILXNOOM-CQSZACIVSA-N 453.755 4.900 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2cccc(Br)c2O)C1 394619210 LKWOSVYSBVBWTC-PWSUYJOCSA-N 482.156 4.540 50 10 JJGE CN(C[C@H]1CCC[C@H]1Cl)C(=O)c1cc(I)ccc1Br 689330473 IMTNTDNNMSUMJF-NOZJJQNGSA-N 456.549 4.533 50 10 JJGE Cc1cccc(C(=O)N2CC(C)(C)CC[C@H]2CBr)c1I 701587945 AWKWKDGGQOVLGD-LBPRGKRZSA-N 450.158 4.625 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)OCc2nc(-c3ccccc3)no2)c(-c2ccc(Cl)cc2)n1 782093947 CWNAQIRZBCTPMX-CPNJWEJPSA-N 484.903 4.818 50 10 JJGE O=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 1084116832 RXCAOJOAQKCEBL-UHFFFAOYSA-N 456.546 4.813 50 10 JJGE CCOc1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc(I)cc3)c2C)cc1 1084584542 TVLXNBOXNKIHJH-UHFFFAOYSA-N 487.341 4.861 50 10 JJGE COC(=O)c1ccc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2[N+](=O)[O-])cc1 1565517610 SHFDXOFWYYCZOF-UHFFFAOYSA-N 469.538 4.624 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)ccc1O 1865681491 OTSJTRSRDUETLE-XMMPIXPASA-N 480.524 4.870 50 10 JJGE COc1cccc(-c2ccc(C(=O)NNC(=O)[C@H](Cc3ccccc3)c3ccccc3)c(C)n2)c1 1865758676 LWKPQCJHERSJHI-AREMUKBSSA-N 465.553 4.853 50 10 JJGE CCCC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(SC#N)cc1 1866878933 YEMWKZBCBLJZGO-FGZHOGPDSA-N 495.674 4.912 50 10 JJGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 1873920288 CAEVTLWGIKQDDF-NKFKGCMQSA-N 478.530 4.822 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2065398658 CQFPZMVUCQHNJD-JIGDXULJSA-N 458.013 4.519 50 10 JJGE COc1cc(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)ccc1Br 2072061165 MXCVULNODBSUNG-MRXNPFEDSA-N 471.189 4.510 50 10 JJGE COc1cc(F)c(Cn2nc(CBr)c(Br)c2C(F)(F)F)c(F)c1 2079232042 LXIAVPBQJHFUMR-UHFFFAOYSA-N 464.026 4.894 50 10 JJGE CCCN1CC[C@@H]([C@@H](Br)c2scc(Br)c2Br)S1(=O)=O 2089520260 UWJVQKLLFHBOHE-WCBMZHEXSA-N 496.084 4.523 50 10 JJGE O=C(NC[C@@H]1CCCC[C@H]1Br)c1c(Br)cccc1Br 2094088633 NEYBQTOKKIYVNS-VHSXEESVSA-N 454.000 4.895 50 10 JJGE O=S(=O)(c1ccc(Cl)c(CBr)c1)N(Cc1ccccc1)C[C@H]1CCCO1 2123200183 DOXRMGFPPMWRFR-QGZVFWFLSA-N 458.805 4.605 50 10 JJGE C[C@H](Br)C[C@H]1COCCN1Cc1cccc(Br)c1Br 2128859854 RSGGCLVQDPDNMC-JQWIXIFHSA-N 456.016 4.586 50 10 JJGE CCC[C@@](C)(CBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 2146581537 FGRIWCYPTCHLJY-ZDUSSCGKSA-N 492.071 4.752 50 10 JJGE CC[C@H](C)[C@@H](Br)CNS(=O)(=O)c1cc(Br)c(C)cc1Br 2146589316 RMTPPZZKYRRIOT-UFBFGSQYSA-N 492.071 4.608 50 10 JJGE CC(C)(C)[C@H]1[C@H](Br)CCN1C(=O)c1ccc(I)c(Cl)c1 2185099796 KINDPRBIBONAIB-ZWNOBZJWSA-N 470.576 4.969 50 10 JJGE CC1(C)C[C@](C)(CCl)CN1C(=O)c1ccc(I)c(Br)c1 2199553083 CCOVJEAYQWOXNB-OAHLLOKOSA-N 470.576 4.923 50 10 JJGE C[C@@H]1C[C@H](Cl)[C@@H](C)N(C(=O)c2ccc(I)c(Br)c2)C1 2227600917 ODYIMDWNGINSPS-LNLATYFQSA-N 456.549 4.532 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(C)(C)C)CN(CCCCI)C1 2248249686 MORHGMKJBADEAZ-CVEARBPZSA-N 452.421 4.711 50 10 JJGE COc1ccc([C@H](Br)c2c(C)nn(C)c2Br)cc1I 2269538856 CTAZLZYQMSUJMI-LBPRGKRZSA-N 499.972 4.589 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(F)(F)F)CCN1CC1(CBr)CC(F)C1 2280358284 AFJAPFBIBVCXHZ-PEUXKQIOSA-N 461.338 4.667 50 10 JJGE CC(C)(C)OC(=O)NCC[S@@](=O)(=NCC1(CBr)CC(F)C1)c1ccccc1 2280358893 IPATZDVSFSSROK-LVAMXDNBSA-N 463.413 4.551 50 10 JJGE COc1ccc2nc(C(C#N)=Cc3ccc(OCc4ccc(C(=O)O)cc4)c(OC)c3)[nH]c2c1 2294284772 UDRVGVQQXWSOCW-UHFFFAOYSA-N 455.470 4.921 50 10 JJGE Brc1cc(Br)cc(C[C@H](Br)[C@H]2CCn3ccnc3C2)c1 2295331680 MNGAINGPDCXLLN-FZMZJTMJSA-N 463.011 4.977 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@H]2CCCO2)cc1C 2296729508 SPHITAWDFJQIOG-RUZDIDTESA-N 470.573 4.839 50 10 JJGE Cc1cc(C=C(C#N)C(=O)OCC(=O)N(CCC#N)c2cccc(Cl)c2)c(C)n1CC(C)C 2297487244 WZCGPERVLDKIOB-UHFFFAOYSA-N 466.969 4.811 50 10 JJGE Cc1cc(C)cc(NC(=O)C(C#N)=Cc2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c1 2313545888 MNCBYNHZWSNBRL-UHFFFAOYSA-N 457.486 4.653 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(OCc2ccc(F)cc2)cc1 2314616698 HTCBNKPMIKRXLQ-UHFFFAOYSA-N 496.494 4.926 50 10 JJGE CC(C)[C@H](Br)C(C)(C)CNC(=O)c1cccc(F)c1I 2365867823 DCCYBMRMOLGFPE-ZDUSSCGKSA-N 456.137 4.606 50 10 JJGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 33851634 CGJYXLIMDXYXDK-GPSDDGMOSA-N 457.530 4.568 50 10 JJGE COc1cc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)ccc1O 40951393 DRPWOWHIXVMXEM-ZVHZXABRSA-N 463.372 4.770 50 10 JJGE O=C(COc1ccccc1)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 59159497 UOPSLXYPQLQTEG-TVKQRKNISA-N 461.521 4.722 50 10 JJGE COc1cc(/C=N/NC(=O)Nc2ccc(Br)cc2)ccc1OCc1cccc(C(=O)O)c1 59303342 NUVLFMDMHWAIGV-DHRITJCHSA-N 498.333 4.891 50 10 JJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC)C(=O)C(C#N)=C2C)cc1C 214210204 OUZRNPYZKXZEPQ-HAHDFKILSA-N 466.541 4.859 50 10 JJGE CCOc1ccc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 216493270 BXABFBGKXJVGFD-LVWGJNHUSA-N 466.585 4.838 50 10 JJGE O=c1[nH]c2ccc([C@H](Br)c3cc(Cl)ccc3I)cc2o1 236084218 VKDLXUGTDRVITE-ZDUSSCGKSA-N 464.484 4.863 50 10 JJGE O=C(CNc1cc(Br)c(Br)cc1Br)NN=Cc1ccccc1 252599239 DHGBQUUWSGDOME-UHFFFAOYSA-N 489.993 4.536 50 10 JJGE CCN(CC)c1c(/C=N/NC(=O)c2ccccc2Br)c(C)nn1-c1ccccc1 253566231 IRPMKMVCEHJYPU-BUVRLJJBSA-N 454.372 4.553 50 10 JJGE C[C@@H](Br)C[C@@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1Br 312867450 SCEVUJJPURMGSJ-KOLCDFICSA-N 490.055 4.538 50 10 JJGE CC(C)(C)OC(=O)N1CCN(C(=O)Nc2cccc(C(=O)Nc3ccc(SC#N)cc3)c2)CC1 586674414 FAMMJZFTKLPRQD-UHFFFAOYSA-N 481.578 4.597 50 10 JJGE C[C@H]1CCCN(c2ncc(C(F)(F)F)cc2I)[C@@H]1CBr 686115638 VQYBLWNIZFNUPK-GZMMTYOYSA-N 463.079 4.705 50 10 JJGE O=C(NCCCCCI)c1scc(Br)c1Br 707821968 MRFHKSOWUWMGEH-UHFFFAOYSA-N 480.991 4.608 50 10 JJGE CC(=O)N1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C)c3)c2C)CC12CCCCC2 1138035971 QZSYSBDHFCBYDS-KOEQRZSOSA-N 458.606 4.703 50 10 JJGE C=C[C@H](COC)NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1C 1435993180 XFXPHIOBGKGXPO-JDZKTDJGSA-N 451.876 4.991 50 10 JJGE C=C[C@@H]1OCCC[C@H]1NC(=O)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1 1478673837 IZHOHLNZEPTSIS-RPBOFIJWSA-N 471.557 4.610 50 10 JJGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772744286 UGZZBNGOSBOADA-UHFFFAOYSA-N 453.901 4.781 50 10 JJGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744834 KUINKNQOTRTGRN-OAHLLOKOSA-N 472.501 4.558 50 10 JJGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cc(C)ccc2O)c1 1865687098 JJPTWNFJUIWSIT-IBGZPJMESA-N 454.452 4.799 50 10 JJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc1OCC 1865690976 GJLDRALXMYAHMO-GOSISDBHSA-N 464.488 4.964 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cccc(OC)c1)C(C#N)=C(N)O2 1865712024 NYPGJRKQRBZQBX-FQEVSTJZSA-N 465.351 4.814 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCN(Cc2ccccc2)CC12CCC2 2010826237 YPRASSZTDSRVKX-NRFANRHFSA-N 465.729 4.927 50 10 JJGE CC(C)(C)[C@@H]1[C@H](Br)CCN1c1ncc(I)cc1Br 2069530840 AFLSLFSLQAHKMQ-KOLCDFICSA-N 488.005 4.837 50 10 JJGE O=S(=O)(c1ccc(CCl)c(Br)c1)N1CC2(CC(OCc3ccccc3)C2)C1 2165078429 RITPGGBKJNKIRD-UHFFFAOYSA-N 470.816 4.558 50 10 JJGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)Cc1ccc(Br)cc1 2213760322 DPNIFPSMVUXYBE-UHFFFAOYSA-N 475.246 4.955 50 10 JJGE N#CC(C(=O)Nc1ccccc1)=C1S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 2293038938 JXNAROPEQRYAJU-QFIPXVFZSA-N 488.500 4.799 50 10 JJGE CCOc1cc(C=C(C#N)c2nc3ccc(OC)cc3[nH]2)cc(I)c1OC 2294284563 FAYRHAKSUMBRJD-UHFFFAOYSA-N 475.286 4.648 50 10 JJGE COc1ccc(CN2C(=O)C(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C(C)=C(C#N)C2=O)cc1 2314616626 FYGUZOQJNRVMNH-UHFFFAOYSA-N 469.453 4.656 50 10 JJGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 2331318582 CWEVTHXWXFGSTM-UHFFFAOYSA-N 490.497 4.596 50 10 JJGE O=C(CNC(=O)c1ccccc1Br)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 3169665 QNGWEIFYLJVUPO-KIBLKLHPSA-N 495.160 4.896 50 10 JJGE CCOc1cc(C=NNC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1cccs1 8456288 XHXONBWKNJWUJG-UHFFFAOYSA-N 473.348 4.892 50 10 JJGE O=C(NC(=S)NNC(=O)c1sc2ccccc2c1Cl)c1ccc(Cl)cc1Cl 12501431 YAFYQVOMPLPOLX-UHFFFAOYSA-N 458.779 4.811 50 10 JJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc3ccccc23)cc1 14029157 HRVHHXJPIMEEBU-UHFFFAOYSA-N 479.602 4.513 50 10 JJGE Cc1nc(COc2ccc(/C=C/C(=O)NNC(=S)Nc3cccc(C)c3C)cc2)cs1 14308267 BTZHKBGLTUQXFY-FMIVXFBMSA-N 452.605 4.678 50 10 JJGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(C)c(Br)c1 14649841 NEOBFMHFWXBASL-UHFFFAOYSA-N 484.188 4.774 50 10 JJGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1C 14768807 VLJYWPMMNFERGG-JOCHJYFZSA-N 497.389 4.808 50 10 JJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1OC 38681003 LQLSONDDQWCNLW-RUZDIDTESA-N 499.479 4.606 50 10 JJGE O=C(NNc1ncnc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-])c1cccc2ccccc12 40611774 JUFZALQGCDIWSH-UHFFFAOYSA-N 482.544 4.754 50 10 JJGE Cc1ccc2cccc(Nc3ncnc(NNC(=O)c4ccc(Br)cc4)c3[N+](=O)[O-])c2n1 40626754 OGSUGRSQHYXJOH-UHFFFAOYSA-N 494.309 4.504 50 10 JJGE Cc1cc(Oc2ncnc(NNC(=O)c3ccccc3Br)c2N)cc(C)c1Cl 40784986 SJOXXJDPPBVEMA-UHFFFAOYSA-N 462.735 4.641 50 10 JJGE COc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812707 WOTKRMZJIRPBPV-OVVQPSECSA-N 451.910 4.973 50 10 JJGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242010 NAKILEJCOKWBRQ-NLTRVXJZSA-N 471.582 4.893 50 10 JJGE O=C(OCc1ccccc1)[C@H](Br)CC[C@@H](Br)C(=O)OCc1ccccc1 136754477 GFAVESHHJVRFEP-QZTJIDSGSA-N 484.184 4.780 50 10 JJGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(=C\c2ccccc2)c2ccccc2)cc1 207112437 OYNDVZJEIXRWLD-HSHNQILISA-N 452.510 4.502 50 10 JJGE CCC(CC)[C@H](Cl)CNC(=O)c1cc(Br)ccc1I 230648969 OIEGGYTUNJEWQZ-GFCCVEGCSA-N 458.565 4.827 50 10 JJGE O=C(NC[C@@H]1CCCC[C@H]1Br)c1cc(Br)cc(Br)c1 232486705 QCBTWBVNRORQGI-TVQRCGJNSA-N 454.000 4.895 50 10 JJGE C[C@@H](Br)[C@@H]1CCCCN1C(=O)c1ccc(I)c(Cl)c1 688779243 XOEKMCGEVKECSY-RNCFNFMXSA-N 456.549 4.723 50 10 JJGE CCOc1ccc(NC(=S)NNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)cc1 727848884 XYJJCDSPABTQKV-UHFFFAOYSA-N 491.548 4.936 50 10 JJGE O=C(CSCc1ccc(Cl)cc1)NN=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 1084024378 ORIFVJPSBHDAFH-UHFFFAOYSA-N 494.960 4.549 50 10 JJGE O=C(NN=C1c2ccccc2C[C@H]1NC(=O)c1cccc(Cl)c1)Nc1cccc(Cl)c1 1088722630 BLWCCIBNDLKUKT-HXUWFJFHSA-N 453.329 4.874 50 10 JJGE CC(=O)c1cccc(OCCCC(=O)NNC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)c1 1628466836 CMWYMBSJBIESRH-IBGZPJMESA-N 456.608 4.722 50 10 JJGE O=C(N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1cccc(Br)c1 1860822743 LLEWZRNYDUNUMS-QQTULTPQSA-N 468.738 4.783 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)ccc1O 1865680956 BCPGHBKVHLSKAP-FQEVSTJZSA-N 481.350 4.520 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1cc(Cl)ccc1O 1865690013 YZBUVXUDJHKJRB-MRXNPFEDSA-N 464.806 4.666 50 10 JJGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)cc1OC 1865696239 KZWBEKWKSHVRSE-KRWDZBQOSA-N 450.461 4.718 50 10 JJGE C/C(=N\NC(=O)c1ccc(-c2ccc(Cl)cc2)nc1C)c1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 1865762858 HEIIWOKUWHLBRN-KXVDBBMMSA-N 462.937 4.608 50 10 JJGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C[C@H](Br)C1 1888787456 GXFJQDVAAVDPCH-WCJKSRRJSA-N 471.395 4.593 50 10 JJGE O=C(Nc1cc(Br)c(Br)c(Br)c1)[C@@H]1C[C@H]1Br 1897151803 DNCLPRDJLQSTKM-PHDIDXHHSA-N 476.788 4.696 50 10 JJGE CCCN1CC[C@@H]([C@H](Br)c2cc(Br)c(Br)s2)S1(=O)=O 2089534984 IXFKHGVELBVKOR-VHSXEESVSA-N 496.084 4.523 50 10 JJGE ClCc1nc2cc(I)ccc2n1[C@@H]1CCOC[C@@H]1OCc1ccccc1 2090340201 OWKWIEWNHJJXLH-MOPGFXCFSA-N 482.749 4.927 50 10 JJGE CN([C@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1ccsc1CBr 2123284070 NAHFQIPJTPZHDM-YJBOKZPZSA-N 458.443 4.647 50 10 JJGE C[C@@H](Cl)CC(C)(C)CNC(=O)c1ccc(Br)cc1I 2142288309 RGQVIVQJZKRWES-SECBINFHSA-N 458.565 4.827 50 10 JJGE O=C(c1cc(Br)ccc1I)N1[C@H](CCl)C[C@H]2CCC[C@@H]21 2164666275 ZOOMWTZXWVBGPX-PUYPPJJSSA-N 468.560 4.676 50 10 JJGE CCN(CC)CCCO[C@](C)(CI)c1ccccc1Br 2175876738 MSFCGJNIEVUADD-MRXNPFEDSA-N 454.190 4.848 50 10 JJGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Cl)c1 2179778794 GRQJFFWTSWRMIV-UHFFFAOYSA-N 473.864 4.768 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1[C@H]2CC[C@@H]1C[C@@H](CBr)C2 2184575575 VGWKGVHGEPNAHY-WLLOZRIZSA-N 468.560 4.723 50 10 JJGE Fc1ccc2nc(CCl)n(C[C@H]3COCCN3Cc3ccccc3)c2c1Br 2194650262 QPFDSDMECYCWOE-HNNXBMFYSA-N 452.755 4.578 50 10 JJGE CN(C[C@H]1C[C@@H]1Br)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(C(F)(F)F)c1 2196913151 CAEIITZBOHBJNK-YPMHNXCESA-N 451.283 4.908 50 10 JJGE NCCSSCCNc1sc(Br)c(Br)c1Br 2212196610 XZBJVIHVECLLFC-UHFFFAOYSA-N 471.103 4.788 50 10 JJGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(Br)c1 2217398716 YFJQLSIXVAOTDD-AWEZNQCLSA-N 479.209 4.953 50 10 JJGE C[C@@H]1[C@@H](Br)CCCN1C(=O)Cc1cc(Br)cc(Br)c1 2277936034 KHYBDCUOUHJRLR-RNCFNFMXSA-N 454.000 4.529 50 10 JJGE O=C1Cc2cc([C@H](Br)c3ccc(Cl)c(I)c3)ccc2N1 2283574107 NCSMHNDBQRLFOW-HNNXBMFYSA-N 462.512 4.924 50 10 JJGE CCCCCOc1ccc(C=NNC(=O)CSc2nc3ccccc3n2C)cc1OCC 2322910787 CJZKSXXYRJUZKF-UHFFFAOYSA-N 454.596 4.783 50 10 JJGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)N1CCCc2ccccc21 2324665844 LNVXHKLZPNIGFB-UHFFFAOYSA-N 462.597 4.780 50 10 JJGE CN(C[C@@H](Br)CCc1ccc(I)c(Br)c1)C1CC1 2325203343 DAQPWSFDQLBBLK-NSHDSACASA-N 487.017 4.844 50 10 JJGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)ccc1OCCN1CCOCC1 2331462828 VJFHKTMCCQLRGB-UHFFFAOYSA-N 483.540 4.872 50 10 JJGE CC(C)C[C@H](CBr)CN=[S@]1(=O)CC[C@H](CNC(=O)OC(C)(C)C)C1(C)C 2353823688 DRDPGJZRRPCFAO-FBJHADKPSA-N 453.487 4.835 50 10 JJGE O=C(NC(=O)c1c(F)cccc1F)Nc1ccc([S@@](=O)C(F)(F)[C@@H](F)Cl)cc1Cl 31500308 BZOALTXJOBEDFO-ONSXPEOJSA-N 475.222 4.815 50 10 JJGE COC(=O)c1ccc(COc2ccccc2/C=C(/C#N)C(=O)NCc2ccc(Cl)cc2)cc1 33707646 VMFPGHQFYDZRBF-HMAPJEAMSA-N 460.917 4.929 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)ccc1OCC(=O)Nc1nccs1 35520040 DBMSZRXVMKIXRI-NDENLUEZSA-N 484.537 4.868 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1 38650337 VMMNGUXWVGEJMA-XMMPIXPASA-N 462.889 4.551 50 10 JJGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)c1 40530177 GTJCTQKYSQPTLB-MHZLTWQESA-N 470.525 4.850 50 10 JJGE COCc1cc(/C=C(/C#N)C(=O)Nc2sc(-c3ccccc3)cc2C(=O)OC)ccc1OC 96438442 ZMENYHWVEYTCDN-WQRHYEAKSA-N 462.527 4.902 50 10 JJGE CC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)C(C#N)=C3C)o2)cc1 101339772 BSBMEUSISVYGGD-WSDLNYQXSA-N 480.476 4.670 50 10 JJGE CCn1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc(N3CCCCC3)n2)c2ccccc21 169927483 QZGWMWSZANYZMO-MTDXEUNCSA-N 452.562 4.872 50 10 JJGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCCC)c(OC)c2)c(OC)c1 207106784 OVHJATYWWYZAMQ-KPLOCSIDSA-N 492.572 4.935 50 10 JJGE BrCc1c(Br)ccc(Br)c1I 575693574 ARENEMZIQBWKHG-UHFFFAOYSA-N 454.725 4.711 50 10 JJGE BrCc1cc(Br)c(OCCCO[C@H]2CCOC2)c(Br)c1 699531606 VSGLMNYSSYJNFY-NSHDSACASA-N 472.999 4.681 50 10 JJGE O=C(NC1(CCBr)CCSCC1)c1cc(Cl)ccc1I 719664088 BLESEHRBDZSBDY-UHFFFAOYSA-N 488.616 4.725 50 10 JJGE CN(C(=O)c1ccc(I)c(Br)c1)[C@@H]1CCCC[C@H]1Cl 721619794 MLTALCHAFZHOOO-DGCLKSJQSA-N 456.549 4.676 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC2CCN(Cc3ccccc3)CC2)c(-c2ccccc2)n1 920135066 GHXIVNBFPLAYNP-NLRVBDNBSA-N 479.584 4.826 50 10 JJGE COc1cccc(C(=O)NN=C2C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)c1 1084416081 XUIOPEOMHGJFKS-UHFFFAOYSA-N 454.313 4.683 50 10 JJGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCC(=O)OC 1084482590 NNZXEMMIFXUICP-MHWRWJLKSA-N 475.328 4.828 50 10 JJGE CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1 1084510840 PUISXIWOIFUJBG-NCELDCMTSA-N 482.584 4.527 50 10 JJGE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)c1 1772744567 FSJOVOIZSMACDF-UHFFFAOYSA-N 460.490 4.836 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1865700178 MLACKRXLEVLVQO-NRFANRHFSA-N 455.905 4.814 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1ccccc1[N+](=O)[O-] 1865709740 FXRMUWMMGVICSV-JOCHJYFZSA-N 467.460 4.864 50 10 JJGE Cc1cccc(C)c1OCC(=O)NNC(=O)c1ccc(-c2ccc(Cl)cc2Cl)nc1C 1865759596 IKTIZTPLVXXZAU-UHFFFAOYSA-N 458.345 4.821 50 10 JJGE CC1(C)[C@@H](Br)CCCN1C(=O)c1cc(Cl)ccc1I 1887813575 HWXQSOSEDUXJKB-LBPRGKRZSA-N 456.549 4.723 50 10 JJGE O=C(Cc1ccccc1I)N(CCCBr)Cc1ccccc1 1914609146 MAZYVKHSVDWNSZ-UHFFFAOYSA-N 472.164 4.648 50 10 JJGE O=C(c1ccc(Br)cc1O)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915312518 KTPVGTFSQKHEMU-QGZVFWFLSA-N 453.174 4.971 50 10 JJGE O=S1(=O)CCC[C@@H]([C@@H](Br)c2cc(Br)c(Br)s2)C1 1942228090 SCNJRWFTUDCXFP-HZGVNTEJSA-N 467.042 4.534 50 10 JJGE CN(c1ncc(I)cc1Br)[C@H](CBr)C(C)(C)C 2015762040 GEAZQRZHPXHKIE-SNVBAGLBSA-N 475.994 4.695 50 10 JJGE CCC[C@](C)(CBr)NC(=O)c1cc(I)ccc1Br 2029943148 BFCHPSFOSICPII-CYBMUJFWSA-N 488.989 4.737 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](OCc2cccc3ccccc23)[C@H](I)C1 2084569101 RYEYBDHUMIPVMT-MSOLQXFVSA-N 453.320 4.779 50 10 JJGE CC(C)[C@H](Br)c1cn(Cc2ccc(Br)cc2Br)nn1 2121068202 MOSSKZOBXMFVSP-ZDUSSCGKSA-N 451.988 4.943 50 10 JJGE COc1cc(CBr)cc(Br)c1OC[C@@]1(Br)CC1(F)F 2137785405 BPRZDCBJROQXCU-NSHDSACASA-N 464.926 4.904 50 10 JJGE CN([C@@H]1CCCCC[C@H]1Br)S(=O)(=O)c1cc(Cl)c(Br)s1 2172544347 QMLWJDAHRZTHKZ-PSASIEDQSA-N 465.660 4.881 50 10 JJGE Cc1cc(C)c(S(=O)(=O)N(C)[C@H]2CC[C@@H]2OCc2ccccc2)cc1CBr 2179859406 DCCJFPXGFHGMDP-PMACEKPBSA-N 452.414 4.567 50 10 JJGE Cc1cc(C(=O)N[C@@]2(CBr)CCC[C@@H](C)C2)ccc1I 2207107615 RPYBEGZCFWBAAW-BZNIZROVSA-N 450.158 4.673 50 10 JJGE Cc1sc(C[C@@H](Br)CN2C(=O)c3ccccc3C2=O)c(Br)c1C 2209324777 UGCJLHJJJABFNK-LLVKDONJSA-N 457.187 4.730 50 10 JJGE O=C(c1csc(I)c1)N1[C@H](CBr)C[C@H]2CCCC[C@H]21 2232019108 BSMSMIMXBQTYTI-ADEWGFFLSA-N 454.171 4.521 50 10 JJGE Cc1ccc(COc2ccc(C=NNC(=O)COc3ccc4c(C)cc(=O)oc4c3)cc2)cc1 2328793459 FVVUGNXKVVDYFA-UHFFFAOYSA-N 456.498 4.518 50 10 JJGE N#CC(=Cc1ccc(Br)cc1)C(=O)NC[C@H](c1ccccc1)S(=O)(=O)c1ccccc1 2329659879 TWWOSZAHLHOKET-HSZRJFAPSA-N 495.398 4.687 50 10 JJGE Cn1nc(Br)c(Br)c1[C@H](Br)c1cc(F)c(F)cc1F 2338861365 RAACPSXPIPHPTA-MRVPVSSYSA-N 462.889 4.847 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)c1cc(Cl)sc1Cl 2378000968 GMMPGFUNCCVMDK-MRXNPFEDSA-N 475.485 4.850 50 10 JJGE CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)c(O)c1 27527912 CMOINSBCLQWLDQ-LQKURTRISA-N 453.546 4.644 50 10 JJGE O=C(NC(=O)c1c(F)cccc1F)Nc1ccc([S@](=O)C(F)(F)[C@@H](F)Cl)cc1Cl 31500300 BZOALTXJOBEDFO-IZPCHGGPSA-N 475.222 4.815 50 10 JJGE COc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)COc3ccc4ccccc4c3)cc2)cc1OC 33598866 WHNKLRIJQGYEBQ-RHANQZHGSA-N 484.508 4.605 50 10 JJGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)cc1 33869507 CSHYTXJJOGWMIA-SDXDJHTJSA-N 484.487 4.879 50 10 JJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1=O 38606631 NTWIOORPCSEIDI-HZHRSRAPSA-N 474.557 4.602 50 10 JJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1 38658044 NQFVQGITODYNTR-HHHXNRCGSA-N 468.509 4.762 50 10 JJGE COc1ccc(Br)cc1/C=N/NC(=O)CN(Cc1ccccc1)Cc1ccccc1 59155231 MFFQGLABCXTALA-CVKSISIWSA-N 466.379 4.610 50 10 JJGE O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1cccc(Cl)c1 59506886 AMQGNRXRKQIOBQ-DHRITJCHSA-N 486.753 4.770 50 10 JJGE Cc1nn(C)c(COc2ccc(CBr)cc2Br)c1Br 91324664 SXENTGAVYHRRKY-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C(=O)CCl)cc1OC 97914650 LGHCIDQLDBOYHG-RUZDIDTESA-N 491.003 4.991 50 10 JJGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)C1=O 101333093 GUIXETLZFNRRIT-LFVJCYFKSA-N 466.541 4.940 50 10 JJGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1OCC 206693005 MOQUMXINGPNWQO-NDWUGUBKSA-N 486.524 4.919 50 10 JJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OC(C)C)c(OC)c2)c(OCC)c1 207008198 KWDMEYQQAXBYIF-YBVHWPNFSA-N 479.529 4.970 50 10 JJGE CN(C(=O)c1cc(Br)ccc1I)[C@@H]1CCCC[C@@H]1Cl 234315740 WUMHJVJJDHTAJV-WCQYABFASA-N 456.549 4.676 50 10 JJGE O=c1[nH]c2ccc([C@@H](Br)c3cc(Cl)ccc3I)cc2o1 236084526 VKDLXUGTDRVITE-CYBMUJFWSA-N 464.484 4.863 50 10 JJGE COc1c(OC(C)=O)ccc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c1[N+](=O)[O-] 254572461 PQZLLRHZIGTJFQ-UHFFFAOYSA-N 499.564 4.772 50 10 JJGE CCCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(OCC)c2)cc1 254875130 XEGPQGNRSDUVIJ-UHFFFAOYSA-N 476.529 4.866 50 10 JJGE BrC[C@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1I 382688961 ORXPPWJQIIRVEM-DOTOQJQBSA-N 456.165 4.902 50 10 JJGE CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc(C(=O)Nc3ccc(SC#N)cc3)cc2)CC1 586664724 CAAXMQQFGRSZDN-UHFFFAOYSA-N 481.578 4.597 50 10 JJGE CCn1cc([C@H](Br)c2ccc(OC)cc2Br)nc1Br 698366911 ABKWDSDTSURVCC-GFCCVEGCSA-N 452.972 4.921 50 10 JJGE BrCc1ccc(N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1Br 705935751 VLVVANKVMQCSIH-QZTJIDSGSA-N 450.218 4.912 50 10 JJGE Cc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)cc1C 1084005554 UYNAAMZPOXPJHM-UHFFFAOYSA-N 456.468 4.819 50 10 JJGE CCCN(CCC)c1ccc(C(=O)NN=Cc2c(C)nn(-c3cccc([N+](=O)[O-])c3)c2C)cc1 1084318920 ROJUFXNLBHPMKS-UHFFFAOYSA-N 462.554 4.788 50 10 JJGE Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c1 1084605007 MNCBYNHZWSNBRL-ZVBGSRNCSA-N 457.486 4.653 50 10 JJGE CCOc1cc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)ccc1OC 1614687769 DLVGFAIYWUEJFV-RBUKOAKNSA-N 495.357 4.881 50 10 JJGE COc1cc(C=NNC(=O)COc2ccccc2Br)ccc1OCc1ccccc1C 1772754450 VZSDFRGYYPIYDA-UHFFFAOYSA-N 483.362 4.874 50 10 JJGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)cc1OC 1865695786 HFDSEDPBDHUHJW-KRWDZBQOSA-N 450.461 4.625 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)ccc1OCc1ccc(Cl)cc1 1865700807 DTNHHLKAGQMXBA-SFHVURJKSA-N 490.869 4.898 50 10 JJGE CCOc1cc(/C=N/NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccccc1 1873499526 ZWBDAPGRGSDLHM-YGYFLSRZSA-N 481.593 4.762 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)Cc1ccc(Cl)cc1Br 1884184307 JGPFRPWIZFUAGM-NSHDSACASA-N 457.549 4.705 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H](CBr)C2(CCC2)C1 1914496862 IZCSHHHZNQWCFT-QMMMGPOBSA-N 472.040 4.910 50 10 JJGE CC[C@H](Cl)C(=O)Nc1cc(Br)c(I)c(Br)c1 1976930697 FQJGPKMDQRACRF-QMMMGPOBSA-N 481.353 4.772 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCN(C(=O)OC(C)(C)C)CCC1(F)F 2010827621 UHEAWXRPQLHVLP-HNNXBMFYSA-N 485.663 4.517 50 10 JJGE BrC[C@H]1CCCCCN1c1ncc(I)cc1Br 2015757655 VURQLJVKMWVVHM-SNVBAGLBSA-N 473.978 4.593 50 10 JJGE CC[C@H]1CN(C(=O)c2cc(Br)c(Br)s2)C[C@H]1CBr 2084899292 MUELJMSJJOKMLL-JGVFFNPUSA-N 460.029 4.766 50 10 JJGE CO[C@]1(CBr)CCCN(Cc2cc(Br)ccc2Br)C1 2118519851 OJTPEQUFFATTRH-AWEZNQCLSA-N 456.016 4.588 50 10 JJGE CN(C(=O)c1cccc(Br)c1Br)C1(CCBr)CCC1 2140951869 KTWUSEDENBYJRO-UHFFFAOYSA-N 454.000 4.991 50 10 JJGE O=C(NC[C@]1(CBr)CC12CCC2)c1ccc(I)c(Cl)c1 2154198441 DEHWJXOLDXSUNB-OAHLLOKOSA-N 468.560 4.630 50 10 JJGE O=C(c1ccc(Br)cc1I)N1[C@H](CCl)C[C@@H]2CCC[C@@H]21 2207267250 FCEXXTLCAPRMTO-CHIMOYNISA-N 468.560 4.676 50 10 JJGE C[C@@H](Cl)c1nc2cncc(Br)c2n1C[C@@H]1CC1(Br)Br 2224804150 ZMXFZKNMEUIOJV-RQJHMYQMSA-N 472.406 5.000 50 10 JJGE CC(=NNC(=O)C(=Cc1ccccc1)NC(=O)c1ccccc1)c1cccc(Br)c1 2296686351 RXTAQVIXFUPAJR-UHFFFAOYSA-N 462.347 4.760 50 10 JJGE COc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C)cc3)nc3c(C)cccn3c2=O)c1 2314533168 PHSIVBVTZIFFFI-UHFFFAOYSA-N 466.497 4.658 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCc2ccc(F)cc2C2CC2)C1 2317104890 CXZQRNQHOQTGFS-IAGOWNOFSA-N 461.315 4.643 50 10 JJGE BrCc1ccc(OCc2cc(I)ccc2Br)cn1 2319167207 OYXBLTMYNLOTOA-UHFFFAOYSA-N 482.941 4.923 50 10 JJGE N#CC(=CNc1cccc2cccnc12)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324608388 RCVIXYKQMNEFCD-UHFFFAOYSA-N 473.580 4.988 50 10 JJGE C[C@@H](C(=O)NN=Cc1cccc(OCc2ccccc2)c1)n1cnc2sc3c(c2c1=O)CCCC3 2325902867 SVOMJDPFQQQFOP-SFHVURJKSA-N 486.597 4.627 50 10 JJGE CC[C@@]1(C)[C@H](Br)CCN1C(=O)c1c(Br)cccc1Br 2336767458 UPJPTVCJAOSKKM-RISCZKNCSA-N 454.000 4.990 50 10 JJGE C[C@]1(CBr)CC(F)(F)CN1Cc1ccc(Cl)cc1I 2341002899 CUFOJXZVMDQDOV-GFCCVEGCSA-N 464.519 4.939 50 10 JJGE CC(C)CN1C[C@@H](Br)[C@H](Cc2cc(I)ccc2Cl)C1 2352432098 OTHKELBOAYHTJS-TZMCWYRMSA-N 456.593 4.838 50 10 JJGE CC1(C)CC(CBr)(CN=[S@@]2(=O)CC[C@@H](CNC(=O)OC(C)(C)C)C2(C)C)C1 2371145416 DVJVETRJKLWPJU-KUNJGFBQSA-N 465.498 4.979 50 10 JJGE O=C(COc1ccc(-c2ccccc2)cc1Br)NNC(=O)c1ccccc1Cl 14642136 OJNDAYKPDUAGAW-UHFFFAOYSA-N 459.727 4.610 50 10 JJGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4nc5ccccc5s4)c(C)c32)cc1 40813851 FENJGTUHEBZUFO-MTDXEUNCSA-N 474.542 4.929 50 10 JJGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1cccc(Br)c1 58987051 HWCMZNDELCKYJB-RGVLZGJSSA-N 479.381 4.990 50 10 JJGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(OC)cc1 101241708 DTWQWLYHMHFUSE-IBZADVPGSA-N 488.396 4.730 50 10 JJGE O=S(=O)(c1cc(Br)ccc1Br)N1CCCCC[C@@H]1CBr 157724998 UJCJKEQZUYUAST-LLVKDONJSA-N 490.055 4.540 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C\c1ccc(OC)cc1 206678931 CMQUNIZAVWCVGS-CUBOCRIMSA-N 472.497 4.529 50 10 JJGE Cc1cccc(C(=O)NC2(CBr)CCC(C)CC2)c1I 232805489 VJDVRLNJJRZSFV-UHFFFAOYSA-N 450.158 4.673 50 10 JJGE COc1ccc(-n2c(SCC(=O)NN=Cc3c[nH]c4ccccc34)nnc2-c2ccc(C)cc2)cc1 254369449 XSWFAFUYDHUWMW-UHFFFAOYSA-N 496.596 4.975 50 10 JJGE O=S(=O)(c1cc(Br)ccc1Br)N(CCCl)Cc1ccccc1 381509050 UZUQYYYWHHKSFU-UHFFFAOYSA-N 467.610 4.641 50 10 JJGE CC(C)(C)[Si](O[C@@H]1C=CO[C@H]2COC3(CCCCC3)O[C@@H]21)(c1ccccc1)c1ccccc1 504661975 KNJMNDGEMIBXDM-UODIDJSMSA-N 464.678 4.920 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@H]2CC[C@H](Br)[C@H]1C2 721563804 GJCQPINRXKQPQQ-BIGNPOOSSA-N 466.011 4.990 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CCC(CCCl)CC1 721616563 UXUWQKWOJWHPDK-UHFFFAOYSA-N 456.549 4.535 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)OCc2nc3ccccc3[nH]2)c(-c2ccc(Cl)cc2)n1 818027595 CLJYCOQKNPLZTG-SFQUDFHCSA-N 456.893 4.644 50 10 JJGE COc1cc(OC)c(C=NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1Br 1083956671 BAAPXJZSNCJLDU-UHFFFAOYSA-N 496.361 4.791 50 10 JJGE O=C(CSc1ccc(C=NNC(=O)c2cccc(Br)c2)o1)Nc1ccccc1 1083960151 GJIZCTBWTOXKIV-UHFFFAOYSA-N 458.337 4.537 50 10 JJGE COc1cc(C=NNC(=O)c2ccc3ccccc3c2)ccc1OCc1cccc(C(=O)O)c1 1084553184 LZOONNNQHUAJCA-UHFFFAOYSA-N 454.482 4.890 50 10 JJGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccn2)CCC3)cc(C)c1Cl 1772747362 OWYQEVASKRHSHC-UHFFFAOYSA-N 451.910 4.943 50 10 JJGE CCOc1ccc(OCC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 1772752917 ZMTDNDJPWRAABZ-UHFFFAOYSA-N 468.937 4.855 50 10 JJGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)N/N=C/c1cccc(OCc2ccccc2)c1 1860772961 MADMFBOYGHWWAD-FJEPWZHXSA-N 494.576 4.854 50 10 JJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)c1 1865691769 AJRGSAPSUJYYQW-XMMPIXPASA-N 482.515 4.973 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865709930 KJSLXWYVHWJENN-DEOSSOPVSA-N 482.515 4.973 50 10 JJGE CC[C@H](NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)Nc1ccc(SC#N)cc1 1867047888 RFEFQUNPGOCUJI-FQEVSTJZSA-N 450.589 4.849 50 10 JJGE O=C(c1cc(Br)sc1Br)N1[C@H]2CC[C@@H]1C[C@H](Br)C2 2037416773 ORAHIYWNEIVGGY-RNLVFQAGSA-N 458.013 4.804 50 10 JJGE CC(C)Cc1cc(CBr)n(Cc2c(F)cccc2I)n1 2070047981 AVPDTVOXMZIJEC-UHFFFAOYSA-N 451.121 4.769 50 10 JJGE O=C(NC[C@@H](CBr)C1CCC1)c1cc(Br)cc(Br)c1 2089961919 ZSHSMFJVHVHZFV-LLVKDONJSA-N 454.000 4.753 50 10 JJGE Clc1ccc(I)c(CN2CCC3(CC2)C[C@H]3CBr)c1 2092482476 VQFZPZQAXSGWHR-LBPRGKRZSA-N 454.577 4.942 50 10 JJGE CN1CCC(N(Cc2ccccc2)S(=O)(=O)c2cc(CCl)sc2Br)CC1 2095877786 QDMSTINNNRDVSL-UHFFFAOYSA-N 477.877 4.535 50 10 JJGE Clc1nc(N2CCC[C@@]3(CN(Cc4ccccc4)CCO3)C2)sc1CBr 2099101592 ABJIHWLBJMYNSM-LJQANCHMSA-N 456.837 4.563 50 10 JJGE CN(C(=O)c1ccc(Br)cc1Br)C1CCC(Br)CC1 2103909262 MJJAOQALSBRSDF-UHFFFAOYSA-N 454.000 4.990 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1[C@H]2CC[C@@H](C2)[C@@H]1CBr 2122171861 JZYMJCUAUPEHGC-HJIKLVIJSA-N 451.984 4.600 50 10 JJGE CC(C)CCN(CCCl)C(=O)c1ccc(Br)cc1I 2142280773 IRIXWUWGFSLPMD-UHFFFAOYSA-N 458.565 4.781 50 10 JJGE COCc1cc(Br)c([C@H](Br)c2ccsc2S(C)(=O)=O)s1 2150558209 WEFRGFWQLNHUDD-SNVBAGLBSA-N 460.234 4.606 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CC2(CCC2)C[C@@H]1CCl 2151491465 SQGSBGNZROJEIR-LLVKDONJSA-N 468.560 4.677 50 10 JJGE Fc1cc2c(cc1I)nc(CCCl)n2[C@@]12C[C@@H]1CN(Cc1ccccc1)C2 2155866138 VJHLIILPGBFFCM-QVKFZJNVSA-N 495.767 4.792 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(F)(F)F)CCN1C[C@@H](CBr)C1CCC1 2163834894 HPFMVWZMQUIRNK-PMPSAXMXSA-N 457.375 4.965 50 10 JJGE CC1(C)C[C@H](CCl)CN(C(=O)c2ccc(I)c(Br)c2)C1 2172576204 YHRKWWZJODDLPF-SNVBAGLBSA-N 470.576 4.781 50 10 JJGE CN([C@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)C1CCC(CBr)CC1 2179826388 RJOHXPOMUCYISP-QUDVFMAMSA-N 458.462 4.586 50 10 JJGE C[C@](CI)(OC[C@H]1C[C@@]12CCOC2)c1ccccc1Br 2198370561 QGNXDZYHNLWGDS-DAXOMENPSA-N 451.142 4.543 50 10 JJGE Brc1cccc(Br)c1CC12COC(CI)(C1)C2 2216249590 JZBWVUQUKWAFMZ-UHFFFAOYSA-N 471.958 4.738 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)NCC[C@@H]1CCC[C@@H]1Br 2295307105 FNYHHMGELMIIBP-FZMZJTMJSA-N 468.027 4.824 50 10 JJGE O=C(NCCSCCCBr)c1cc(Br)c(Br)s1 2299202826 AVYZQFRSROCEQT-UHFFFAOYSA-N 466.058 4.521 50 10 JJGE BrC[C@@H](COCc1ccc(I)c(Br)c1)C1CC1 2306305376 WONGBPONHOXUII-NSHDSACASA-N 473.974 4.991 50 10 JJGE COc1cc(C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314611062 PMLLLIWLMZGAJT-UHFFFAOYSA-N 450.922 4.928 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C(C)(C)C)cc1 2314737584 ZGCRVUBVIQIYEY-UHFFFAOYSA-N 488.540 4.793 50 10 JJGE Clc1cc(I)c([C@H](Br)[C@@H]2COC3(CCC3)CO2)s1 2316793187 WCGIAXYSYVLMCX-WCBMZHEXSA-N 463.562 4.780 50 10 JJGE N#CC(=CNC12CC3CC(CC(C3)C1)C2)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324608277 GUOXOAGIQDNSNA-UHFFFAOYSA-N 480.656 4.886 50 10 JJGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CCCOC)C4=O)n2)cc1 2331305399 YENANEULZUYLQK-UHFFFAOYSA-N 489.553 4.791 50 10 JJGE BrCCCN1CCCN(Cc2ccc(Br)cc2Br)CC1 2366634640 YGWMUDWETHGYIB-UHFFFAOYSA-N 469.059 4.504 50 10 JJGE CC(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 14642099 OVBIQVSFFLRXPC-UHFFFAOYSA-N 497.389 4.845 50 10 JJGE CNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1 33375108 UVKDZZRUROUDIC-QNGOZBTKSA-N 452.489 4.910 50 10 JJGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1 38651555 WSJBJVGNGGILAY-XMMPIXPASA-N 491.341 4.824 50 10 JJGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c(Oc3ccccc3F)nc12 39858733 GBZGYDWYHBURFD-SSZFMOIBSA-N 458.424 4.619 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cc(C)ccc2C(C)C)c(OC)c1 40978036 IDRBANMOJXDMQG-KGENOOAVSA-N 464.562 4.935 50 10 JJGE CCOC(=O)[C@@H](Br)Cc1c(Br)cc(Br)cc1Br 134959897 QZUAIGRSAGZKSO-JTQLQIEISA-N 493.815 4.843 50 10 JJGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc3ccccc3c2)cc1 254372662 VSRLVSVCXRAPAY-CPOZLEKOSA-N 462.553 4.827 50 10 JJGE COc1ccc(C=NNC(=O)COc2ccccc2)cc1COc1ccc(C(=O)OCC(C)C)cc1 254742518 GKQXOSGXPKLDQI-UHFFFAOYSA-N 490.556 4.616 50 10 JJGE CCOc1ccccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382698345 YSCRUGYIRRPXTD-PKOBYXMFSA-N 465.331 4.873 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](c2ccc(Br)cn2)[C@@H](CBr)C1 382708085 VLFHMQUYZUAWOT-GOEBONIOSA-N 454.162 4.591 50 10 JJGE BrCc1cc(Br)cc(Br)c1OCCN1CCSCC1 705972516 IGXJSXSNWJCYEE-UHFFFAOYSA-N 474.056 4.534 50 10 JJGE CC[C@@H](C)N(CCBr)C(=O)c1ccc(I)c(Br)c1 721612182 HSRCCRLLECDMMM-SECBINFHSA-N 488.989 4.689 50 10 JJGE CC(=NNC(=O)C(Cc1ccccc1)C(=O)NN=C(C)c1ccc(C)cc1)c1ccc(C)cc1 725274602 VIZVSAZJMNYIHY-UHFFFAOYSA-N 454.574 4.543 50 10 JJGE Cc1cc(C(=O)NC2CCN(C(=O)/C(C#N)=C/c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)c(C)o1 727331352 HBHIFHGUHSPTEJ-PXLXIMEGSA-N 488.563 4.771 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)Nc2ccccc2Br)c(C)n1-c1cccc(Cl)c1 1084486110 XLZFESPTFFOFLV-UHFFFAOYSA-N 473.758 4.599 50 10 JJGE CC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)Nc3ccc(OC(F)F)cc3)cc2)cc1 1448304375 JUTWFBFJKIRVSA-UHFFFAOYSA-N 455.417 4.749 50 10 JJGE Cc1c(C(=O)Nc2ccccn2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749519 MLGOCOZQZFMBMK-UHFFFAOYSA-N 487.343 4.778 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1865680267 FMLFCTNSKATOBR-QFIPXVFZSA-N 470.916 4.881 50 10 JJGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3C)cc1OC 1865693464 WANOBZGPEUEDQO-GOSISDBHSA-N 475.387 4.541 50 10 JJGE O=C(N[C@@H]1CC[C@@H]2C[C@]21CBr)c1cc(Br)sc1Br 2068353908 GTAUMOMWUBIKSC-GFJAWQGPSA-N 458.013 4.567 50 10 JJGE CN(C(=O)c1cccc(Br)c1Br)C1CCC(Br)CC1 2103908066 WHNREMXEKPQYAI-UHFFFAOYSA-N 454.000 4.990 50 10 JJGE O=C(c1sccc1I)N1CCC[C@]2(CBr)CCC[C@@H]12 2108987094 YJDMRSCZIJXFNY-RISCZKNCSA-N 454.171 4.523 50 10 JJGE CC1(C)COC[C@@H](COc2c(Br)cc(CBr)cc2Br)O1 2145713474 BCLJXPDNLVDFFG-JTQLQIEISA-N 472.999 4.679 50 10 JJGE CCCN1CCC[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2)S1(=O)=O 2145782392 UPVURFLZBJSARY-RTWAWAEBSA-N 452.414 4.906 50 10 JJGE O=S(=O)(N[C@@H](CBr)c1cccs1)c1ccc(Br)cc1Cl 2175668460 CTLSAVUTPZEWHF-JTQLQIEISA-N 459.612 4.579 50 10 JJGE Cn1nc(Br)c([C@H](Br)c2ccc(Br)cc2Br)n1 2214373681 SXKMQVLQBIEIEA-MRVPVSSYSA-N 488.803 4.587 50 10 JJGE CC1CC(CBr)(CN=[S@@]2(=O)CC[C@@H](CNC(=O)OC(C)(C)C)C2(C)C)C1 2265309488 HFIKHTNJLUPHIF-YZCBRMSXSA-N 451.471 4.589 50 10 JJGE O=C(N[C@]1(CCl)C[C@H]2CC[C@H]1C2)c1cc(I)ccc1Br 2283910792 GJVFXEYVMNRMAE-YHAQOWFVSA-N 468.560 4.581 50 10 JJGE O=S1(=O)CCC[C@@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288499364 SQVIPRFFEFYIOT-LHLIQPBNSA-N 496.993 4.751 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCC 2313545944 QKTGEZQBKQTWKD-UHFFFAOYSA-N 484.394 4.502 50 10 JJGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)NC)N(c3ccc(OCC)cc3)C2=O)cc1 2314593667 QSDLEECLMZGEFZ-HSZRJFAPSA-N 463.603 4.600 50 10 JJGE N#CC(=C(O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(F)cc2F)cs1 2331286671 XHLQEZMBEMVILC-UHFFFAOYSA-N 451.454 4.957 50 10 JJGE CN(C)c1ccc(C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1[N+](=O)[O-] 2331331248 ZHFKSLXWJQQVCQ-UHFFFAOYSA-N 450.476 4.505 50 10 JJGE COc1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)cc1C 2338859164 DEZMEAIDVWIENK-SNVBAGLBSA-N 452.972 4.746 50 10 JJGE Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)CCCCl)[nH]c(=O)c1Cc1ccccc1 11855400 GANYMDSFRVVFKP-UHFFFAOYSA-N 467.982 4.541 50 10 JJGE N#C/C(=C\c1cn(CC(=O)Nc2ccccc2)nc1-c1ccccc1)c1nc(O)c2ccccc2n1 34988136 MQSSLQRJNHTOLQ-HMMYKYKNSA-N 472.508 4.902 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1 38685850 MTULCPNVLOHPJC-CPJLOUKISA-N 474.488 4.815 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1[N+](=O)[O-])c1ccccc1F 40658248 TYXANUAWZYOEEK-UHFFFAOYSA-N 460.425 4.817 50 10 JJGE CCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OC)c(OC)c2)c(OC)c1 100869800 UEIHSYTYPVYEIS-YZSQISJMSA-N 456.539 4.742 50 10 JJGE CCc1ccc(OCCCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1 206740471 ARCVLJOWYDUZJO-XLNRJJMWSA-N 458.514 4.830 50 10 JJGE O=C(N[C@H]1CCC[C@H](CCl)C1)c1cc(I)ccc1Br 311375953 VYVBBXRYURMXPK-ONGXEEELSA-N 456.549 4.581 50 10 JJGE CCc1nn(C)c2c1nc(CCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705783377 OAVIIZSSGUYTBE-UHFFFAOYSA-N 464.013 4.542 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N(CCCl)Cc1ccccc1 721574280 XNHFSMGRYOFJGH-UHFFFAOYSA-N 478.555 4.935 50 10 JJGE Cc1cccc(COc2ccc([C@@H](C)NC(=O)NNC(=O)c3cccc4cccnc34)cc2)c1 727844185 VUSCRUSKNQUNBY-LJQANCHMSA-N 454.530 4.827 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)c2cc(F)ccc2F)c(-c2ccc(Cl)cc2)n1 782092491 FNUNKMPCDIYJKK-YBEGLDIGSA-N 480.858 4.728 50 10 JJGE CCCN(CCC)c1ccc(C(=O)NN=Cc2c(C)nn(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 1083863561 VFADVTGYORLGKY-UHFFFAOYSA-N 492.580 4.796 50 10 JJGE COc1ccc(C(C)=NNC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1 1084527888 BRLIJMMYVYIPBW-UHFFFAOYSA-N 485.613 4.694 50 10 JJGE O=C(NN=Cc1ccccc1OCc1ccc(C(=O)O)cc1)Nc1ccc(Br)cc1 1084607529 OKLDWVFOODYUAB-UHFFFAOYSA-N 468.307 4.882 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865687602 VRYADUVIJXDOBN-DEOSSOPVSA-N 482.515 4.978 50 10 JJGE COc1ccc(-c2csc(CCNC(=O)/C(C#N)=C/c3cccc(Br)c3)n2)cc1 1866131960 VUDDVHHCUKAXMH-GZTJUZNOSA-N 468.376 4.847 50 10 JJGE N#C/C(=C(/O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2c[nH]c3ccccc23)cs1 1872753485 ZKCYVNLFCXUCIO-QJOMJCCJSA-N 473.514 4.986 50 10 JJGE COc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2ccc(OC)c(OC)c2OC)cs1 1872759063 CEHGKNWGTOJBLB-ICFOKQHNSA-N 454.504 4.716 50 10 JJGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C[C@@H](Br)C1 1888778429 GXFJQDVAAVDPCH-DMPWYTOCSA-N 471.395 4.593 50 10 JJGE Cc1cccc(Br)c1C(=O)N(C)C[C@H](Br)COCc1ccccc1 1916384928 DYENHTQSIYRZKO-INIZCTEOSA-N 455.190 4.810 50 10 JJGE FC1(F)[C@@H]2COC[C@]21[C@H](Br)c1cc(Br)sc1Br 1998633256 CRMPLVMEZUFSOX-SLBFFKMLSA-N 452.940 4.991 50 10 JJGE CC[C@@H](C)[C@H](CI)NC(=O)c1cc(Br)c(Br)s1 2023038205 SRJZZYBZRPHMIJ-SVRRBLITSA-N 495.018 4.853 50 10 JJGE CN(c1ncc(Br)cc1Br)[C@H](CCBr)C(F)(F)F 2058234729 PFTQFLJMGYBZJF-MRVPVSSYSA-N 454.910 4.759 50 10 JJGE Cc1nccc(Cl)c1-n1nc(CBr)c(I)c1C(F)(F)F 2078931742 XBIXRCQHDHWWKH-UHFFFAOYSA-N 480.453 4.747 50 10 JJGE CC(C)[C@H](Br)[C@@H](C)NC(=O)c1ccc(Br)cc1I 2086150071 WMHXGWURWSQJLD-PELKAZGASA-N 488.989 4.592 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2CCC[C@@]2(CBr)C1 2103173219 SCXOSBMLWZXERR-ISVAXAHUSA-N 472.040 4.910 50 10 JJGE C[C@@H](CCCCCI)NC(=O)c1cccc(F)c1I 2117886541 NUJSHZUAXWEYTM-JTQLQIEISA-N 489.110 4.544 50 10 JJGE O=C(NC[C@]1(CCl)CC12CCC2)c1cc(Br)ccc1I 2154184126 ZFPAKOKPMVWHHU-OAHLLOKOSA-N 468.560 4.583 50 10 JJGE Cc1ccc(I)c(C(=O)N2CC[C@H](Br)[C@H]2C(C)(C)C)c1 2240902345 YYWZVVHESTUSNO-JSGCOSHPSA-N 450.158 4.624 50 10 JJGE O=C(N[C@H]1CCC[C@@H]1CCBr)c1ccc(Cl)c(I)c1 2268349118 ZMFJXYGIQXWXQB-RNCFNFMXSA-N 456.549 4.628 50 10 JJGE COc1cc([C@@H](Br)c2ccc(OC)c(I)c2)ccc1F 2285001157 WFPRHEYKDRUQCR-HNNXBMFYSA-N 451.073 4.932 50 10 JJGE N#CC(=Cc1c[nH]nc1-c1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2295266245 LSWCTZRLQBLWTE-UHFFFAOYSA-N 473.580 4.917 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)cc2C=C(C#N)C(=O)Nc2nccs2)cc1OC 2295672388 SUAJNASNIRSGQA-UHFFFAOYSA-N 489.532 4.757 50 10 JJGE COc1cc(NC=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C(C)=O)cc1OC 2295956274 SHALIACKIFAPGS-UHFFFAOYSA-N 450.476 4.915 50 10 JJGE CCn1c(SCC(=O)NN=CC(Br)=Cc2ccccc2)nnc1-c1ccccc1 2297304496 CJDYHQLGHVQOPO-UHFFFAOYSA-N 470.396 4.595 50 10 JJGE O=C(NN=Cc1ccc(Br)o1)C(=CC=Cc1ccccc1)NC(=O)c1ccccc1 2297322267 SLJAYPFZEANQNK-UHFFFAOYSA-N 464.319 4.520 50 10 JJGE Cc1ccc(COc2ccccc2C=NNC(=O)c2cc(-c3ccc(F)cc3)nc(O)n2)cc1 2323701928 KFNZMBNHXSPMGH-UHFFFAOYSA-N 456.477 4.640 50 10 JJGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)C(C#N)=CNCCc1ccccc1Br 2325079193 ZKPHTIUOGJNVCW-QGZVFWFLSA-N 456.384 4.573 50 10 JJGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c([N+](=O)[O-])cc1OC 2331281433 WXEJEDGVWZXXRI-UHFFFAOYSA-N 454.420 4.594 50 10 JJGE CC(C)(C)[C@H](CBr)CNC(=O)c1ccc(Cl)cc1I 2340061610 PNOZYCBCKVMYAP-SECBINFHSA-N 458.565 4.732 50 10 JJGE N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc2c(c1)OCO2 3654442 MLGCSCNCKPVWNB-PPHZAIPVSA-N 486.531 4.874 50 10 JJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCC(C)C)cc1 14667016 JLWMUTMKONKIAI-MRXNPFEDSA-N 477.399 4.837 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-])c1ccccc1Cl 40658313 GXJDMRKLOAHCSQ-UHFFFAOYSA-N 452.780 4.558 50 10 JJGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 59517410 CUCFATGLJITPOC-UFFVCSGVSA-N 483.487 4.615 50 10 JJGE O=C(NC[C@H]1CCCC[C@@H]1CBr)c1cc(Cl)ccc1I 236065898 YIXRXMIMMIKVJM-GHMZBOCLSA-N 470.576 4.876 50 10 JJGE CCOc1cc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1 254721013 ABFGHTLHMIPVCM-UHFFFAOYSA-N 485.462 4.772 50 10 JJGE CN(C(=O)c1ccc(I)c(Cl)c1)[C@H](CBr)C(C)(C)C 689261004 OPNOTHVVWGIFMJ-GFCCVEGCSA-N 458.565 4.826 50 10 JJGE O=C(NC[C@@H]1CCCC[C@@H]1CCl)c1ccc(I)c(Br)c1 721572549 MLYLJOXQZGMOQL-NEPJUHHUSA-N 470.576 4.829 50 10 JJGE COc1ccc([C@@H](Br)c2cccc(F)c2I)cc1OC 721697641 MLJIGTZKTDPDDE-CQSZACIVSA-N 451.073 4.932 50 10 JJGE CCCCCC(=O)NC1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)CC1 748190863 HHXPRZOSXINPKX-XLNRJJMWSA-N 464.585 4.828 50 10 JJGE Cc1ccc(C(C)C)c(OCC(=O)NN=C2C(=O)N(Cc3ccccc3F)c3ccccc32)c1 1084136247 YOXWWFJPUXHPCV-UHFFFAOYSA-N 459.521 4.704 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(OC)cc1 1084169131 IRVHUELDBRRVJG-UYRXBGFRSA-N 487.468 4.767 50 10 JJGE CC(C)(C)OC(=O)Nc1ccc(F)c(NS(=O)(=O)c2ccc(CBr)cc2)c1 1260510568 LRYRZDMDNPZHTR-UHFFFAOYSA-N 459.337 4.868 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2cc([N+](=O)[O-])ccc2Cl)C1 1614702770 VPALDCFXUDDOSD-WMLDXEAASA-N 453.720 4.995 50 10 JJGE C#C[C@@H](NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)c1ccc(F)cc1 1624783800 CJEHONNBIOKYJI-SCFJIEIRSA-N 457.896 4.654 50 10 JJGE CC(C)(C)[Si](O[C@H]1C=CO[C@H]2COC3(CCCCC3)O[C@H]12)(c1ccccc1)c1ccccc1 1857787941 KNJMNDGEMIBXDM-KKUQBAQOSA-N 464.678 4.920 50 10 JJGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(Br)cc1 1865693279 MQIJGEQAUMVYAM-HXUWFJFHSA-N 481.350 4.569 50 10 JJGE Cc1cccc(C)c1OCCCC(=O)NNC(=O)c1ccc(-c2ccc(Cl)cc2)nc1C 1865755650 KBRLFMBIJPZRCL-UHFFFAOYSA-N 451.954 4.947 50 10 JJGE Cc1oc(-c2cccc(Br)c2)nc1CC(=O)N[C@H](C)C(=O)Nc1ccc(SC#N)cc1 1867193430 VKILNDCGBLLGHU-CYBMUJFWSA-N 499.390 4.672 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CCC([C@H](F)CBr)CC1 2106953267 WPHQVTJZYIEMTF-SECBINFHSA-N 478.019 4.858 50 10 JJGE CC1(C)CC(CBr)(NC(=O)c2ccc(I)c(Cl)c2)C1 2107260665 GZYDWQKMUSBPPS-UHFFFAOYSA-N 456.549 4.628 50 10 JJGE BrCCO[C@H]1CCCN(Cc2c(Br)cccc2Br)C1 2113856168 KNTHSHKBILRDOR-NSHDSACASA-N 456.016 4.588 50 10 JJGE CC1(C)[C@@H](CBr)OCCN1Cc1cc(Br)ccc1Br 2118527884 GYYAVZXOQVAWAT-CYBMUJFWSA-N 456.016 4.586 50 10 JJGE O=S(=O)(c1ccc(CBr)c(Cl)c1)N1CCC(OCc2ccccc2)CC1 2123200139 CZSMOEXTABRHCP-UHFFFAOYSA-N 458.805 4.605 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@H](CBr)C(F)(F)C1 2146376308 YINKHGIFDPKYED-SECBINFHSA-N 475.953 4.704 50 10 JJGE CCn1ncc(Br)c1[C@H](Br)c1cc2c(cc1Br)OCC2 2150662403 CCWLLTLSUUEJRZ-CYBMUJFWSA-N 464.983 4.847 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H](Br)CC2(CCC2)C1 2151348760 TYOVJLKBCALXFJ-LLVKDONJSA-N 468.560 4.724 50 10 JJGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1cc(C)c(F)c(CBr)c1 2179862195 SLNZTZKLYRPSAJ-UHFFFAOYSA-N 458.393 4.647 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC2(CCC(Br)CC2)C1 2181087439 QRCVFVKXRSKHOJ-UHFFFAOYSA-N 466.011 4.991 50 10 JJGE Cc1cc(C(=O)N2C[C@@](C)(CBr)CC2(C)C)ccc1I 2207103217 RABIBPHHNIASRZ-MRXNPFEDSA-N 450.158 4.625 50 10 JJGE CC(C)(C)OC(=O)N[C@@H](C[S@](C)(=O)=NCCCCCI)C(C)(C)C 2214696550 MXDWCPKAAYSQNN-BSEYFRJRSA-N 474.449 4.629 50 10 JJGE Cc1cc(Br)c([C@@H](Br)C2(C)CS(=O)(=O)C2)c(C)c1Br 2227371663 UCNMHXSTLQOFAX-GFCCVEGCSA-N 475.040 4.699 50 10 JJGE Cc1ccc(C(=O)N[C@@H](CBr)C2CCCCC2)cc1I 2232825203 DKFLCUHVULYPNL-HNNXBMFYSA-N 450.158 4.673 50 10 JJGE CN(Cc1ccc(I)cc1)c1cc(CCl)c(Br)cn1 2265606040 WYLZUOSQVUFJTL-UHFFFAOYSA-N 451.533 4.824 50 10 JJGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1nn(C)nc1Br 2295265163 NTWMLJGNQGGSFX-SECBINFHSA-N 488.405 4.795 50 10 JJGE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C(C#N)=Cc3ccc(C(C)C)cc3)cc2)n1 2297308519 VMJJGWUOVCMCBY-UHFFFAOYSA-N 475.574 4.563 50 10 JJGE CCO[C@@H]1[C@@H](Br)C[C@H]1OCc1ccc(I)c(Br)c1 2325365871 OUTVYIJNFJPYAN-CYZMBNFOSA-N 489.973 4.511 50 10 JJGE COc1cc(C=C(C#N)c2ncccc2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C)cc1C 2331059451 CVHDPVARNIKWDA-UHFFFAOYSA-N 458.474 4.697 50 10 JJGE C[C@@H](Br)CN(C(=O)c1ccc(Cl)cc1I)C(C)(C)C 2340060395 BVDKAUAMIOJLSF-SECBINFHSA-N 458.565 4.969 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N(C)[C@H](CBr)C(C)C)cc1Br 2367105563 MSYJRFISKYZMAZ-GFCCVEGCSA-N 492.071 4.560 50 10 JJGE CCCCOc1ccc(C(=O)NN=Cc2ccc(OCCN3CCCCC3)c(OC)c2)cc1 13147142 GYRJRIXBTMXCKY-UHFFFAOYSA-N 453.583 4.503 50 10 JJGE COc1ccccc1C(=O)N/N=c1/oc2ccc(Br)cc2cc1-c1nc2ccccc2[nH]1 27496726 ZEYSXJYUSKCXOS-RMLRFSFXSA-N 489.329 4.993 50 10 JJGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)Cc3ccc(OC)c(OC)c3)c(OC)c2)cc1 31902321 YWZJEEROZWYKGM-BKUYFWCQSA-N 459.498 4.933 50 10 JJGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NCc3ccccc3Cl)c(C)c21 40813117 NSDDEVNNBKYQCK-TURZUDJPSA-N 465.937 4.650 50 10 JJGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NCCC)c(=O)oc3c2)cc1 40894411 DLPPGFJAQRLDEI-XSFVSMFZSA-N 474.513 4.624 50 10 JJGE O=C(CSCc1ccccc1Cl)N/N=C1/C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 59147605 LGKZHWMOUZPSFP-SLEBQGDGSA-N 494.960 4.549 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1cccc(Br)c1 98027922 CBTHYJUEEHHKAT-NDENLUEZSA-N 491.341 4.900 50 10 JJGE CC1CCC(CBr)(NS(=O)(=O)c2cc(Cl)c(Br)s2)CC1 136592408 GMIWIKOGGQYTDJ-UHFFFAOYSA-N 465.660 4.786 50 10 JJGE O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2ccccc2)nc(N2CCCCC2)n1 169927448 OKVKTJTYIMHZHA-MTDXEUNCSA-N 451.530 4.757 50 10 JJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(O)c(OC)c2)sc2c1CC[C@@H](CC)C2 209407001 UBNILXUPSWDJPS-KWZJRMENSA-N 454.548 4.700 50 10 JJGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCc1cccc(Br)c1 231319473 ALPCULHVLWSXGU-MRXNPFEDSA-N 484.172 4.684 50 10 JJGE CC(=NNC(=O)c1ccccc1N)c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 254306779 BEYSZFYPNGEACG-UHFFFAOYSA-N 471.344 4.747 50 10 JJGE COc1cc(C)ccc1C(=O)NN=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1 254628374 CBACCCKKSMKTHG-UHFFFAOYSA-N 467.319 4.749 50 10 JJGE C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NN=C/C=C2\N(C)c3ccccc3C2(C)C)cc1 254696551 TVDOBZZYSYKFFL-FBNSNLIDSA-N 488.632 4.882 50 10 JJGE C[C@]1(CBr)CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 381618599 QWZRQZTXLGQPQI-GFCCVEGCSA-N 466.022 4.552 50 10 JJGE C[C@@H](CCBr)CCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 397873017 JPBXAJHQERHOSC-QMMMGPOBSA-N 468.038 4.845 50 10 JJGE O=C(CBr)c1cc(C(F)(F)F)c(I)cc1Br 575695485 OTFUGNOSLSKOOZ-UHFFFAOYSA-N 471.836 4.650 50 10 JJGE O=C(CSCc1ccccc1Cl)NN=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 1083921953 LGKZHWMOUZPSFP-UHFFFAOYSA-N 494.960 4.549 50 10 JJGE COc1ccc(OC)c(C=NNC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c1Br 1084038140 DENWLOXGYJZKQS-QMTHXVAHSA-N 450.160 4.508 50 10 JJGE COc1cc(C=NNC(=O)Cc2cccc(C(F)(F)F)c2)ccc1OCc1cccc(C(=O)O)c1 1084369426 YHLYKQHTNGVICW-UHFFFAOYSA-N 486.446 4.684 50 10 JJGE C/C(=C/c1ccccc1Cl)C(=O)NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 1306151895 VJNANTREJCZCMZ-OWBHPGMISA-N 450.951 4.913 50 10 JJGE O=[N+]([O-])c1cc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CBr)ccc1Br 1614624255 SPKSIIQMWVHSSH-HOTGVXAUSA-N 454.162 4.968 50 10 JJGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772749800 ZYKRLTQFWKMJTG-UHFFFAOYSA-N 458.543 4.849 50 10 JJGE CCOc1cc(C=NNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc(Br)c1O 1772756017 JMSMXUCPMGDUKN-AWEZNQCLSA-N 463.372 4.769 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(N(C)C)cc1)C(C#N)=C(N)O2 1865683979 RYQUWDRMVBSPBZ-QFIPXVFZSA-N 465.960 4.961 50 10 JJGE O=[N+]([O-])c1c(CBr)nn(Cc2ccc(F)c(C(F)(F)F)c2)c1C(F)(F)F 2079259092 RHGLABQADJMDKU-UHFFFAOYSA-N 450.108 4.911 50 10 JJGE C[C@@H]1CN(C(=O)c2c(Br)cccc2Br)C[C@@H](C)C1Br 2094095125 JBNVPKYJYSUVQP-RKDXNWHRSA-N 454.000 4.703 50 10 JJGE CN(Cc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cc(CCl)sc2Br)C1 2112848940 IUCUWDDMTKJTNU-HNNXBMFYSA-N 477.877 4.535 50 10 JJGE BrCc1c(Br)cccc1N1CC[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 2129055608 RPWVSPQAHOWASS-LEWJYISDSA-N 480.244 4.824 50 10 JJGE CC1(C)[C@@H](Br)CC[C@@H]1NC(=O)c1ccc(I)c(Cl)c1 2142133615 HJKXHHDBYBEGGP-RYUDHWBXSA-N 456.549 4.627 50 10 JJGE O=C(N[C@H]1CCC[C@@H]1CCCl)c1ccc(Br)cc1I 2142280172 ZZBITHVYWGFTOB-RNCFNFMXSA-N 456.549 4.581 50 10 JJGE COCCn1ncc(Br)c1C[C@@H](Br)c1ccc(Br)cc1 2169799225 NHYBLYNGFYTHRJ-GFCCVEGCSA-N 466.999 4.733 50 10 JJGE Brc1ccc(CN2CCC3(CC2)C[C@H](Br)CO3)c(Br)c1 2173134927 ZKFHDCKWPLZQJT-ZDUSSCGKSA-N 468.027 4.730 50 10 JJGE CC1(C)CC[C@H](CBr)N1C(=O)c1ccc(Cl)c(I)c1 2268346738 RKYWPMGWFAKCSN-SNVBAGLBSA-N 456.549 4.723 50 10 JJGE Cc1cccc(C(=O)N(C[C@@H](C)Br)CC(C)(C)C)c1I 2288063299 XSCFFQPXGZXXNY-GFCCVEGCSA-N 452.174 4.871 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@@H]1CCCC[C@H]1Br 2295316150 UVRWELNKPQHYDZ-SMDDNHRTSA-N 468.027 4.824 50 10 JJGE CC(C=NNC(=O)C(=Cc1ccc(N(C)C)cc1)NC(=O)c1ccccc1)=Cc1ccccc1 2295523581 WKFYCNUAOKZDQB-UHFFFAOYSA-N 452.558 4.729 50 10 JJGE CCCCCOc1ccc(Cl)cc1C=C(C#N)C(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OC 2295787832 VNOWZQSLEUBYEU-UHFFFAOYSA-N 489.981 4.710 50 10 JJGE Cn1nc(Br)c(Br)c1[C@H](Cl)Cc1ccncc1Br 2316717066 DUWWCNPQRRRSMB-MRVPVSSYSA-N 458.379 4.625 50 10 JJGE COc1ccc(Cl)cc1NC(=O)C(C#N)=CNc1ccc(I)cc1C 2324455390 DRPLOKUCUKNZTI-UHFFFAOYSA-N 467.694 4.720 50 10 JJGE C[C@@H](Br)[C@H](NCc1cc(I)ccc1Cl)C(F)(F)F 2327406717 MAIXKJXIYGMHNV-LDWIPMOCSA-N 456.471 4.749 50 10 JJGE O=S1(=O)CCC[C@@H]1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2337093716 HVDQRLRYBUXYEY-XCBNKYQSSA-N 454.970 4.861 50 10 JJGE FC(F)CC1(CBr)CCN(Cc2sccc2I)CC1 2338758337 QOIHRRCJDKAYJN-UHFFFAOYSA-N 464.157 4.985 50 10 JJGE Cn1cnc(Br)c1[C@H](Br)c1cc2c(cc1Br)OCCC2 2369630759 CIDLRVPGWURIER-GFCCVEGCSA-N 464.983 4.754 50 10 JJGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1cc(Cl)cc(Cl)c1 10505960 QRBHVJVPXJLZLR-UHFFFAOYSA-N 495.215 4.795 50 10 JJGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1Br 33930340 MOCUYYSHXBMDGZ-WDZFZDKYSA-N 481.100 4.674 50 10 JJGE C/C(=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(Cl)cc1 34772061 XGPOKVRYSKMPBK-OYKKKHCWSA-N 462.358 4.948 50 10 JJGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1 38682253 CFLOODOAQBAEDW-JOCHJYFZSA-N 459.483 4.754 50 10 JJGE CC(=O)c1ccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1 40649710 RFDWKOQXEUNQGQ-UHFFFAOYSA-N 482.500 4.606 50 10 JJGE CCCCOc1ccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2N)cc1 40754878 KKFQPNPTBHYIIG-UHFFFAOYSA-N 491.379 4.810 50 10 JJGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1 40870007 RIMQBEURHUNUMC-CALPNNBKSA-N 482.536 4.936 50 10 JJGE O=C(NC[C@H]1CCC[C@@H](Br)C1)c1cc(Br)c(Br)s1 227754015 WEJCKFNLECWHRM-JGVFFNPUSA-N 460.029 4.957 50 10 JJGE Cn1nccc1CCC(CBr)(CBr)c1ccccc1Br 230928155 MOYBFWLSSUKKQB-UHFFFAOYSA-N 465.027 4.843 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccccc3OCC)cc2OCC)cc1 254382574 FRRBOIKFBZUAQV-UHFFFAOYSA-N 476.529 4.866 50 10 JJGE COc1ccc(-n2c(SCC(=O)NN=Cc3sccc3C)nnc2-c2ccc(C)cc2)cc1 254523117 RKEFBVMEBGVSKL-UHFFFAOYSA-N 477.615 4.864 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2C[C@H](Br)CC[C@H]2C1 398842254 PFKNBGSBNGWDSH-DJLDLDEBSA-N 472.040 4.909 50 10 JJGE Cc1cccc(C(=O)N[C@@H]2C[C@H](Br)CC(C)(C)C2)c1I 693893062 MWRUBNAUGGFQLG-NWDGAFQWSA-N 450.158 4.672 50 10 JJGE O=C(NN=Cc1ccccc1OCc1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] 1084147698 PSYSUOIYRAFYKG-UHFFFAOYSA-N 454.280 4.700 50 10 JJGE COc1cc(OC)cc(C(=O)NN=Cc2ccc(OC)c(COc3ccc(Cl)cc3)c2)c1 1084389304 JJJVNWPBHKKLTJ-UHFFFAOYSA-N 454.910 4.709 50 10 JJGE COc1cc(OC)cc(C(=O)NN=Cc2ccccc2OCc2ccc(Br)cc2)c1 1084640377 UHBWLEASNZFHTC-UHFFFAOYSA-N 469.335 4.809 50 10 JJGE C=C(Cl)CSc1nc(C)c(CC(=O)NNc2cc(C#N)ccc2Br)s1 1469946962 PDOTVUCHEWPSCH-UHFFFAOYSA-N 457.806 4.616 50 10 JJGE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC/C2=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1614070860 WMVYBBWDFRHJPT-ZRTLGGQQSA-N 478.505 4.851 50 10 JJGE Cc1c(C(=O)Nc2ccccc2F)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772746996 JPPCYBFKZOAOGU-UHFFFAOYSA-N 497.342 4.969 50 10 JJGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707421 WTFMWMSDYKYPNA-SFHVURJKSA-N 457.317 4.674 50 10 JJGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)cc1 1865710387 WYTNWOHSUJTQFX-QGZVFWFLSA-N 460.843 4.830 50 10 JJGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4cccs4)cs3)CC2=O)cc1 1872750393 IHUXULLBQQDPFW-MUNYZGMTSA-N 465.556 4.894 50 10 JJGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 1873794861 FIOQOMWYOURYMY-YYHBXHNPSA-N 475.586 4.501 50 10 JJGE Cl[C@H](c1cc(I)cc2c1OCC2)c1sncc1Br 2028526032 YUWXYFZMIRQXHT-SNVBAGLBSA-N 456.530 4.773 50 10 JJGE O=C(NCCCCCCI)c1c(Br)cccc1Br 2033095837 VOUZTAAXOBGLBE-UHFFFAOYSA-N 488.989 4.937 50 10 JJGE C[C@@](CBr)(NC(=O)c1scc(Br)c1Br)C(F)(F)F 2043169519 UBFWYSIFJFXFCF-QMMMGPOBSA-N 473.934 4.719 50 10 JJGE FC1(F)CO[C@H](COc2c(Br)cc(CBr)cc2Br)C1 2088531670 PSTZRQORMINJEZ-QMMMGPOBSA-N 464.926 4.910 50 10 JJGE CN(C[C@H]1CCC[C@H]1Br)C(=O)c1cccc(Br)c1Br 2092334571 VUTIFXMTAAYNJS-MWLCHTKSSA-N 454.000 4.847 50 10 JJGE CC[C@@]1(CBr)COCCN1Cc1ccc(Br)cc1Br 2112720153 ILBXKDMFPMVEGU-CQSZACIVSA-N 456.016 4.588 50 10 JJGE F[C@]1(CNc2ncc(I)cc2Br)CC[C@@H](CCl)CC1 2133380482 UNWNMAMOKYOYQA-GMZHKTEUSA-N 461.544 4.998 50 10 JJGE C=CC[C@@](C)(CBr)CNC(=O)c1cc(Br)ccc1Br 2137192982 NNEHJWWEMUOYBD-AWEZNQCLSA-N 454.000 4.919 50 10 JJGE C[C@H](Cl)C[C@H]1CCCN1C(=O)c1ccc(Br)cc1I 2142281675 SUXKKNSYANLLQA-GXSJLCMTSA-N 456.549 4.676 50 10 JJGE CCCN1CCC[C@H]([C@@H](Br)c2cc(Br)c(Cl)s2)S1(=O)=O 2172562409 LHOFYCKLOGLZRY-MNOVXSKESA-N 465.660 4.804 50 10 JJGE C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)cc1Cl 2179795974 YLJGBADSPKJIIA-MRXNPFEDSA-N 471.848 4.520 50 10 JJGE O=S(=O)(c1ccc(CBr)c(Cl)c1)N1CC2(CC(OCc3ccccc3)C2)C1 2179862467 WTZGFTXRVAHHEK-UHFFFAOYSA-N 470.816 4.605 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CI)O[C@@H]1CCC[C@@H](C(F)(F)F)C1 2217091605 USWXSVMRQQJRTR-JMSVASOKSA-N 465.294 4.843 50 10 JJGE CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)cc1C(=O)N[C@H]1C[C@@H](Br)C1 2237287946 AUZMORWFLYIKIJ-AOOOYVTPSA-N 453.255 4.588 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCC[C@]1(C)CNC(=O)OC(C)(C)C 2244481443 FXDQVYYUFRKTOG-IIBYNOLFSA-N 463.710 4.566 50 10 JJGE C[C@@]1(CCBr)CCN(C(=O)c2ccc(Cl)c(I)c2)C1 2268348288 NVWRVSWVMCQBHU-CQSZACIVSA-N 456.549 4.582 50 10 JJGE CS(=O)(=O)C1CC([C@H](Br)c2scc(C(F)(F)F)c2Br)C1 2285283157 LKSZKKJLXDDWLT-QIECLKSESA-N 456.143 4.789 50 10 JJGE BrC[C@@H]1CC[C@H]2CN(Cc3c(Br)cccc3Br)C[C@@H]2O1 2289188836 SLOJAMADDSHDIG-PGUXBMHVSA-N 468.027 4.586 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OCCOc1ccc(C)cc1C 2293591280 GEHHCNFXIPAQJD-UHFFFAOYSA-N 460.530 4.976 50 10 JJGE C[C@@H]1CC[C@@](CBr)(NC(=O)Cc2cc(Br)cc(Br)c2)C1 2295312226 VKNQQFXNDXRXOB-MEBBXXQBSA-N 468.027 4.824 50 10 JJGE CN(C(=O)Cc1cc(Br)cc(Br)c1)C1(CCBr)CCC1 2295312706 ACFDUKDPWRMCDC-UHFFFAOYSA-N 468.027 4.920 50 10 JJGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NCCCOC(C)C)c1 2296721770 SOKPKQYQLAYOLJ-UHFFFAOYSA-N 488.588 4.757 50 10 JJGE CC(=CC#N)N1C(=O)c2ccc(C(=O)Nc3ccc(-c4nc5cc(C)ccc5[nH]4)cc3)cc2C1=O 2313811521 BWIHTVNLLBGFJR-UHFFFAOYSA-N 461.481 4.814 50 10 JJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1 2314618793 ULEPJUYYGJMQBP-UHFFFAOYSA-N 496.567 4.567 50 10 JJGE CCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NCc4ccco4)c(=O)oc3c2)cc1 2314738476 GZDNWZWSEKKSQV-UHFFFAOYSA-N 498.491 4.617 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@H]2C[C@@H](C(F)(F)F)C2)C1 2327818408 BFXDQKVHKBVEAL-ZENOOKHLSA-N 477.305 4.796 50 10 JJGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)c1 2331325414 XSKINHLJLNJTTD-UHFFFAOYSA-N 452.492 4.751 50 10 JJGE CC[C@@]1(C)[C@@H](Br)CCN1C(=O)c1ccc(Cl)c(I)c1 2336757067 SLVOLDSVJZQDBS-JSGCOSHPSA-N 456.549 4.723 50 10 JJGE CC(C)(C)N1C[C@H](Cl)[C@H](Cc2ccc(I)c(Br)c2)C1 2349833563 GBWKZTKJWZVDIZ-YPMHNXCESA-N 456.593 4.934 50 10 JJGE COc1c(Br)cc(C)c([C@@H](Br)[C@@]2(C)COCCO2)c1Br 2365217984 IYUBYQWVKORWLR-ZIAGYGMSSA-N 472.999 4.770 50 10 JJGE O=C(N[C@@H]1C[C@@H](CBr)C12CCC2)c1ccc(Cl)c(I)c1 2379722388 YFRARWCTFLLTQG-GXFFZTMASA-N 468.560 4.628 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(SC)cc3)n2-c2ccccc2)cc1 8431264 OVROZKDBVHTQKL-UHFFFAOYSA-N 489.626 4.907 50 10 JJGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 14034514 LSCCKUPVBREGOK-UHFFFAOYSA-N 491.613 4.640 50 10 JJGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)CCCCC 14648676 WRISVEARYQUDDI-UHFFFAOYSA-N 472.449 4.624 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@H]1c1ccccc1Br 38678654 WGEGKMOQVSUVFT-OAQYLSRUSA-N 492.285 4.795 50 10 JJGE COc1ccccc1C(=O)NNc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-] 40583289 KQLFHUTXOIBQPJ-UHFFFAOYSA-N 482.806 4.566 50 10 JJGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Cl)CCC3)cc1 40812619 NYQNNXNEZOLHQI-ZXVVBBHZSA-N 480.904 4.718 50 10 JJGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)cc1 40884592 MXFXPSHEROCZGB-PDXKIULWSA-N 462.546 4.924 50 10 JJGE CCOc1c(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2Br)cccc1OC 40950850 BDBNSVSBSFNGED-ZMOGYAJESA-N 463.372 4.683 50 10 JJGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 58889672 YLWDZXOKXGQXPS-VPZZRGLESA-N 452.938 4.892 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)Nc2nccs2)ccc1OC(=O)c1ccc(Cl)cc1 58978704 GRKQLBVJPRYARM-LFIBNONCSA-N 453.907 4.960 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)cc(Cl)c1OCc1cccc(C(=O)O)c1 96203382 CLHBZMDUHMRUAU-GRSHGNNSSA-N 480.904 4.832 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/Nc1ccc(Br)c(Cl)c1 101511656 IQODUHYGYDNICC-GZTJUZNOSA-N 456.727 4.807 50 10 JJGE C[C@@H]1CCc2c(sc3nc(SCC(=O)/C(C#N)=C4/Nc5ccccc5S4)[nH]c(=O)c23)C1 103908357 XLERDDFWPBPCFH-RGWKGUTDSA-N 466.613 4.724 50 10 JJGE O=S(=O)(N[C@H]1CCC[C@H]1CBr)c1c(Cl)cc(Br)cc1Cl 231618521 FAZRETFWKFVBQZ-CPCISQLKSA-N 466.022 4.598 50 10 JJGE CCOc1cc(C=NNC(=O)c2ccc(OC)cc2)cc(Br)c1OC(=O)c1ccccc1 252617949 LCBQZJMGZBIJDC-UHFFFAOYSA-N 497.345 4.840 50 10 JJGE C[C@@H]1CCCN(C(=O)c2cc(Br)ccc2Br)[C@@H]1CBr 688678396 IJHXRPBNRBBGQM-NOZJJQNGSA-N 454.000 4.847 50 10 JJGE C[C@@H]1CC[C@@H](CBr)CN1C(=O)c1ccc(I)c(Cl)c1 688706023 PHSSBDDLUOPKKC-ZJUUUORDSA-N 456.549 4.580 50 10 JJGE C[C@H]1CN(C[C@H](c2cccs2)N(C(=O)CCl)c2ccc(Oc3ccccc3)cc2)C(=O)CN1 725238650 OPVVIVSSGTXETK-PGRDOPGGSA-N 484.021 4.674 50 10 JJGE Cc1csc([C@H](C)NC(=O)NNC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)n1 727942576 QNVFNFBPXCQRAI-KRWDZBQOSA-N 460.559 4.889 50 10 JJGE N#Cc1ccc(CNC(=O)NNC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)c(F)c1 729879673 LBQBBDPZPDLRSE-UHFFFAOYSA-N 468.488 4.574 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C)n1-c1ccc(F)cc1 749147656 BSYPIVDCDCZNDE-LFVJCYFKSA-N 495.558 4.889 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2ccc(Cc3ccncc3)cc2)c(-c2ccccc2)n1 914459746 HNKNWGYHDIQUCF-HKOYGPOVSA-N 458.525 4.995 50 10 JJGE C[C@H]1C[C@@H](C)CN(C[C@H](C)NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1 920745147 HSVNLQGYMPHCIM-PQESFYDSSA-N 479.028 4.507 50 10 JJGE CC(C)(C)OC(=O)N[C@H]1Cc2cc(F)ccc2C1=NNC(=O)Nc1ccc(OC(F)(F)F)cc1 1088739674 KMDFWDZUNQTTLS-KRWDZBQOSA-N 482.434 4.700 50 10 JJGE O=[N+]([O-])c1cc(Br)cc([C@@H]2CN(Cc3ccccc3)C[C@H]2CBr)c1 1614643330 UQSQXLUZJSOCSL-QAPCUYQASA-N 454.162 4.968 50 10 JJGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)c1 1865690487 SRTVXMGBVYPFAA-HXUWFJFHSA-N 451.324 4.560 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1 1865694120 PWLBFKWKEYRPMW-HXUWFJFHSA-N 451.324 4.560 50 10 JJGE CC[C@H](NC(=O)Cc1nc(-c2ccccc2Cl)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866663659 INGIXGBZUOJVCP-IBGZPJMESA-N 468.966 4.953 50 10 JJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2snc3ccccc23)cc1 1867270500 WWQCHVGHFZGSOF-OAQYLSRUSA-N 458.568 4.849 50 10 JJGE O=S1(=O)CC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923072764 RLFZYVYYWSCIKB-WVZVXSGGSA-N 473.433 4.550 50 10 JJGE C[C@H]1C[C@H](CBr)CN(C(=O)c2csc(Br)c2Br)C1 2032953926 SPOBAHUFSGBGOR-JGVFFNPUSA-N 460.029 4.766 50 10 JJGE Cc1cc(F)c(CNCCSSCCNC(=O)OC(C)(C)C)c(Br)c1 2061268529 VFQNZRPCXOUCBN-UHFFFAOYSA-N 453.443 4.892 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CC2(CC(CBr)C2)C1 2066457533 AOGKJSCTJPONGA-UHFFFAOYSA-N 458.013 4.520 50 10 JJGE CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12CI 2080598063 FSCNQGWVBRCFHP-XWOVPUAZSA-N 498.401 4.682 50 10 JJGE CN(C(=O)c1cccc(Br)c1Br)[C@H]1CCCC[C@H]1Br 2092340188 NJVKRUWYDBYQGM-PWSUYJOCSA-N 454.000 4.990 50 10 JJGE CCN1CCC[C@@H]([C@H](Br)c2csc(Br)c2Br)S1(=O)=O 2093944454 KJFLFNRIBMVERZ-DTWKUNHWSA-N 496.084 4.523 50 10 JJGE CCn1ncc(Br)c1[C@H](Br)c1ccc(OC)c(Br)c1 2094271118 LLJGZHWPZNEJRE-GFCCVEGCSA-N 452.972 4.921 50 10 JJGE O=S1(=O)C[C@@H]2CCC[C@]2([C@H](Br)c2sc(Br)cc2Br)C1 2137238258 NDEWZFXGEYPFJP-BPTDKIDVSA-N 493.080 4.924 50 10 JJGE O=C(N[C@H]1CCCCC[C@H]1Cl)c1ccc(Br)cc1I 2142285327 OBYSYZPLGJNCGJ-YPMHNXCESA-N 456.549 4.724 50 10 JJGE CCc1nn(CC)c(CN[C@H](C)CCCCCI)c1Br 2174523878 OMMRRSHNZTVNSM-GFCCVEGCSA-N 456.210 4.701 50 10 JJGE Cc1cc(C)c(S(=O)(=O)N2CCC(OCc3ccccc3)CC2)cc1CBr 2179859909 KPZQLWQKJYNWAI-UHFFFAOYSA-N 452.414 4.568 50 10 JJGE CC(C)(C)OC(=O)N1CCN(C[C@H](CBr)c2ccccc2)C[C@@H]1C(F)(F)F 2186713934 ARUMJSHMVQNSKO-JKSUJKDBSA-N 451.327 4.649 50 10 JJGE BrC[C@H]1C[C@H]2[C@@H](C1)OCCN2Cc1cccc(Br)c1Br 2199761127 AVYYMTNCWCYDME-LEWSCRJBSA-N 468.027 4.586 50 10 JJGE CCN(C(=O)c1ccc(Br)cc1Br)[C@H]1CCC[C@@H]1Br 2224421534 NNGZHMXEILXBSO-AAEUAGOBSA-N 454.000 4.990 50 10 JJGE C[C@H]1[C@H](Cl)C[C@@H](C)CN1C(=O)c1cc(I)ccc1Br 2227614333 BDSJTCIPNLIEIH-VYUIOLGVSA-N 456.549 4.532 50 10 JJGE C[C@]1(CNC(=O)c2cc(Br)c(Br)s2)CCC[C@H]1Br 2258798161 ZKRODFFCEQXTRS-BXKDBHETSA-N 460.029 4.957 50 10 JJGE O=C(NC1(CCCBr)CCC1)c1ccc(Cl)c(I)c1 2268348674 XNPQFXBSSQDOIH-UHFFFAOYSA-N 456.549 4.772 50 10 JJGE C[C@H](Br)C[C@H](C)CNC(=O)Cc1cc(Br)cc(Br)c1 2277935996 JXXSQSRXFVUGCJ-UWVGGRQHSA-N 456.016 4.680 50 10 JJGE CN(C[C@H]1CCC[C@H]1Br)C(=O)Cc1cc(Br)cc(Br)c1 2295317726 QQAHIDGNYGPKPI-BXUZGUMPSA-N 468.027 4.776 50 10 JJGE COc1ccc(C=CC(=O)Oc2cccc(C=NNC(=O)Cc3ccc(Br)cc3)c2)cc1 2296455814 YIIDCRGVDLYACC-UHFFFAOYSA-N 493.357 4.769 50 10 JJGE N#CC(C(N)=O)=C1S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1 2296835070 UOGGUPMYBLGQSF-MRXNPFEDSA-N 452.750 4.558 50 10 JJGE CC(=O)c1ccc(-c2ccc(C=C3C(=O)N(CCc4ccccc4)C(=O)C(C#N)=C3C)o2)cc1 2297317607 USVMPJRNVIKDGV-UHFFFAOYSA-N 450.494 4.984 50 10 JJGE N#CC(=Cc1cc(Cl)cc(Cl)c1OCc1ccccc1Cl)c1nn(CCO)c(N)c1C#N 2297534142 RTKROVVUWWBDSQ-UHFFFAOYSA-N 488.762 4.933 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 2314617010 OXSOKYSYPRNMME-UHFFFAOYSA-N 453.454 4.956 50 10 JJGE O=C(Cc1ccc(Br)cc1F)N[C@@H](CCBr)COCc1ccccc1 2320357247 YFNLVQHJZXXQDK-KRWDZBQOSA-N 473.180 4.617 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@@]2(CBr)CC[C@H]1C2 2336460561 KDIUCUNHSVGNEP-XPTSAGLGSA-N 451.984 4.601 50 10 JJGE CN(C[C@H](Br)C1CCCC1)C(=O)c1ccc(Cl)cc1I 2365582000 LSGDFQZAFWAHSF-ZDUSSCGKSA-N 470.576 4.970 50 10 JJGE COc1cccc(-c2cc(C(=O)NN=Cc3ccc(OC)c(COC(C)=O)c3)c3ccccc3n2)c1 8667051 ZXHOKBYNKMVWND-UHFFFAOYSA-N 483.524 4.746 50 10 JJGE CCOc1ccc(Br)cc1/C=C/C(=O)Oc1ccc(/C=C(/C#N)C(=O)OC)cc1OC 33693593 ZOPKMNBSNLRWNA-ZNXZVAGTSA-N 486.318 4.555 50 10 JJGE Cc1cc(Oc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])cc(C)c1Cl 40658664 LCBJWHSQAARLIN-UHFFFAOYSA-N 493.263 4.766 50 10 JJGE Cc1c(C(=O)NC2CCCCC2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811774 GAGCPEIBJDAZKN-NLRVBDNBSA-N 472.383 4.883 50 10 JJGE C=CCOc1c(Br)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1CC=C 58891995 IFFUUPASPQSWCO-QAEYNFOBSA-N 457.368 4.706 50 10 JJGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)C1=O 101332505 NHSYLQHVQDDMHH-BUVRLJJBSA-N 466.541 4.939 50 10 JJGE CCOc1ccc(Br)cc1C=NNC(=O)[C@@H](C)Oc1ccc(Br)cc1 252601269 DYXVNXCTHBMRKO-GFCCVEGCSA-N 470.161 4.528 50 10 JJGE COc1ccccc1OCC(=O)NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12 254750515 BUOCMIVLNKVYAX-UHFFFAOYSA-N 454.482 4.597 50 10 JJGE COC(=O)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)cc1 254846478 VFRGQWISAGCBSN-UHFFFAOYSA-N 491.617 4.788 50 10 JJGE BrCC(CBr)(CCN1CCSCC1)c1ccccc1Br 706374766 YOIGTSUYTBMDNU-UHFFFAOYSA-N 486.111 4.916 50 10 JJGE C[C@@H](CBr)CCCNC(=O)c1ccc(I)c(Br)c1 721616353 UCGRHFOTDAVEAL-SECBINFHSA-N 488.989 4.595 50 10 JJGE COc1ccccc1Nc1nc2sc(C(=O)NNc3nc(-c4ccccc4)no3)cc2s1 728079959 RDKQASONQGCXPE-UHFFFAOYSA-N 464.532 4.917 50 10 JJGE Cc1ccc(Cl)cc1NC(=O)COC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 761409124 BLNXWUNLJKOEAZ-UNOMPAQXSA-N 473.920 4.514 50 10 JJGE N#C/C(=C\c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 1084447917 XSYZERDRZMYOAC-XIEYBQDHSA-N 471.564 4.817 50 10 JJGE C=C[C@@H]1OCCC[C@H]1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 1129171480 DCYWHTGWAFYLLH-BFPURBSMSA-N 454.368 4.613 50 10 JJGE C=CCOc1ccccc1CNC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 1564062992 GXYCUHVEMPDYOC-UHFFFAOYSA-N 452.514 4.611 50 10 JJGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)c1 1865693833 MDIVHCZITYMQQC-DEOSSOPVSA-N 479.540 4.950 50 10 JJGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@H]2C[C@H]2c2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867057841 JMZMWWCDYBPZIY-GSDHBNRESA-N 499.592 4.655 50 10 JJGE N#C/C(=C(/O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745615 VVBBWILZUPLXSO-UZYVYHOESA-N 486.509 4.686 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)Cc1cc(Cl)cc(Br)c1F 1887414082 GEVPWLWLQMSRCS-JTQLQIEISA-N 475.539 4.844 50 10 JJGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(I)sn1 1909913916 AAJFONCFVWFPIZ-CQSZACIVSA-N 493.208 4.810 50 10 JJGE CCn1ncc(Br)c1C(=O)N(Cc1ccccc1)[C@@H](CBr)C(C)C 1915294389 YDNPUADZPWXYDK-INIZCTEOSA-N 457.210 4.727 50 10 JJGE O=S(=O)(c1ccc(Br)cc1)N(Cc1ccccc1)C1(CBr)CCC1 1915750530 IICZRCAKWPNRJZ-UHFFFAOYSA-N 473.230 4.958 50 10 JJGE CCc1nn(-c2nc(Cl)c(CBr)s2)c(CC)c1I 2037793999 LYUZURRHYRMKJU-UHFFFAOYSA-N 460.566 4.607 50 10 JJGE Cl[C@H](c1cc(I)sn1)c1cc2c(cc1Br)OCCO2 2120031175 GVENVVJIIWWEIB-LBPRGKRZSA-N 472.529 4.610 50 10 JJGE CN(C[C@H](Cl)C1CCCC1)C(=O)c1cc(I)ccc1Br 2167648408 VQGBOGDYRXPKEB-AWEZNQCLSA-N 470.576 4.923 50 10 JJGE O=[N+]([O-])c1sc(CBr)cc1N1CCN(Cc2ccccc2)C[C@@H]1C(F)(F)F 2186709820 APSVBHLWNAGVMU-OAHLLOKOSA-N 464.307 4.804 50 10 JJGE Cn1nc(Br)c([C@@H](Br)c2cc(Br)c(Cl)s2)n1 2210977056 CVISHMHNZWOCSJ-YFKPBYRVSA-N 450.381 4.539 50 10 JJGE CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H](CN(CCCCCI)C1)C2 2214698438 UKCQXCFQDLMGMG-APWZRJJASA-N 450.405 4.609 50 10 JJGE CCOCc1cc(Br)c([C@H](Cl)c2cnn(C)c2I)s1 2224770372 DSWZPTSSAOSVNL-SNVBAGLBSA-N 475.577 4.713 50 10 JJGE Cc1ccc(I)c(C(=O)NC[C@@H]2CCCC[C@@H](Br)C2)c1 2240924469 LULJKKOKNUPNLF-CHWSQXEVSA-N 450.158 4.673 50 10 JJGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 2294171936 KVSRAENVNJZLSH-UHFFFAOYSA-N 480.362 4.770 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@H]1CCCC[C@H]1Br 2295316147 UVRWELNKPQHYDZ-BXUZGUMPSA-N 468.027 4.824 50 10 JJGE Cc1cc(Br)cc(C(=O)N[C@@H](CCBr)COCc2ccccc2)c1 2303547536 WCXCCHLYIQSMAB-SFHVURJKSA-N 455.190 4.858 50 10 JJGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@@H]2CCCO2)c1 2314476110 IYXNKZDCGVUCTH-VWLOTQADSA-N 456.546 4.530 50 10 JJGE COc1ccc(CN2C(=O)C(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(C)=C(C#N)C2=O)cc1 2314616728 IJWPFOKTFRAWQQ-UHFFFAOYSA-N 469.453 4.656 50 10 JJGE CC[C@H]1CN(Cc2ccc(I)c(Br)c2)C[C@@H]1CBr 2325234323 WKDOQYBJZXDAJS-RYUDHWBXSA-N 487.017 4.907 50 10 JJGE CCOc1ccc(NC=C(C#N)C(=O)Nc2ccc(I)cc2C)cc1OCC 2325406234 YYVQXXIAGVSCTM-UHFFFAOYSA-N 491.329 4.855 50 10 JJGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NN=Cc1cccc(OCc2ccccc2)c1 2325903754 CGMTYMLUGJVLRD-UHFFFAOYSA-N 494.576 4.854 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCS(=O)(=O)C1 2339673496 BIDAGTFGSHNKRP-XVKPBYJWSA-N 479.003 4.530 50 10 JJGE O=C(Nc1cc(F)c(CBr)cc1F)c1sccc1I 2342907265 QIEFAHDSJNWKKS-UHFFFAOYSA-N 458.065 4.778 50 10 JJGE COc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1COc1ccc(C(=O)OCC(C)C)cc1 1496958 HHNXGZKYTBKQAC-RWPZCVJISA-N 476.529 4.557 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)CCc2ccccc2Cl)cc1 10460481 YOIXHNSYPKGZOP-UHFFFAOYSA-N 462.015 4.567 50 10 JJGE O=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 12503465 CIHPIJJGGSMMLM-ISLYRVAYSA-N 451.551 4.856 50 10 JJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 14029172 ALANKPHGZBMHCU-UHFFFAOYSA-N 498.649 4.580 50 10 JJGE CC(C)c1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 14040223 YAGJBQDJYKCDNH-INIZCTEOSA-N 485.378 4.719 50 10 JJGE CCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OC)c(OC)c2)c(OCC)c1 33959201 OWALFBBURQJFFD-YZSQISJMSA-N 456.539 4.742 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cccc(Cl)c1 40929806 CKJOOLKJDQFPGZ-WOJGMQOQSA-N 480.904 4.539 50 10 JJGE Cc1c(/C=N\NC(=O)c2cccn(Cc3ccc(C(C)(C)C)cc3)c2=O)c2ccccc2n1C 169921212 BBIHJBTVYKRFBM-RHANQZHGSA-N 454.574 4.758 50 10 JJGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1 206432943 SRSIATLZKZBTPV-QNUPSSFOSA-N 472.497 4.529 50 10 JJGE CCCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1 214389199 NOJUDLDKASOEDR-XKZIYDEJSA-N 458.514 4.777 50 10 JJGE COc1ccc(C=NNC(=O)c2ccc(F)cc2)cc1CN1CCc2cc(OC)c(OC)cc2[C@H]1C 254593025 IRUJTAWPTOLDKN-GOSISDBHSA-N 491.563 4.735 50 10 JJGE Nc1cc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)ccc1Cl 382708347 GCPFDTDKYIMLBX-CVEARBPZSA-N 470.738 4.709 50 10 JJGE O=C(CBr)c1cc(C(F)F)c(Br)cc1I 575686930 RWEYSPIYCOHOPI-UHFFFAOYSA-N 453.846 4.569 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H]2C[C@H](Br)CC[C@H]2C1 705439009 MSWLEWUUICNEGC-DJLDLDEBSA-N 472.040 4.909 50 10 JJGE O=S(=O)(N[C@@H](CCBr)C1CCCC1)c1cc(Cl)c(Br)s1 725110804 GUOKGKLSASEFDZ-JTQLQIEISA-N 465.660 4.786 50 10 JJGE COc1ccc(CNC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)c(C(F)(F)F)c1 726711448 NHZNTRMMCXPHKG-UHFFFAOYSA-N 491.441 4.576 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)c2cccc3ccccc23)c(-c2ccccc2)n1 761379948 DUADEEMLYONYBK-CJLVFECKSA-N 460.493 4.950 50 10 JJGE Cc1ccsc1C=NNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 1084095446 KFNFNHNEQBBABG-UHFFFAOYSA-N 455.605 4.526 50 10 JJGE Cc1c(C(=O)NN(Cc2ccccc2)c2ccccc2)cnn1-c1ccc(C(F)(F)F)cn1 1087664241 TUNXMWPOQTXDRH-UHFFFAOYSA-N 451.452 4.946 50 10 JJGE CC(=O)c1ccc(Nc2ccccc2C(=O)NNC(=O)CCSc2ccc(F)cc2)cc1 1641065695 WCGQCXVEOIFPPL-UHFFFAOYSA-N 451.523 4.715 50 10 JJGE CCOc1c(Br)cc(C=NNC(=O)COc2ccc(C(C)C)c(C)c2)cc1OC 1772754212 QLAXWEPDRCUOHN-UHFFFAOYSA-N 463.372 4.817 50 10 JJGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC)cc1OC 1865693803 ZEVCRFRCAVXYAV-SFHVURJKSA-N 475.387 4.634 50 10 JJGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865697986 HMBDUKDJOARCDP-JOCHJYFZSA-N 462.937 4.527 50 10 JJGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1 1865701902 HSFTVKAIXTZIKX-DEOSSOPVSA-N 462.557 4.999 50 10 JJGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705029 KIDKKZPCSCWSPP-VWLOTQADSA-N 492.535 4.881 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865708141 PDMPTBXKJJNCRK-OAQYLSRUSA-N 495.377 4.823 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714074 CAPLACPLYDUGHD-JOCHJYFZSA-N 483.459 4.569 50 10 JJGE CCC[C@@H](NC(=O)Cc1nc(-c2ccc(C)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866651579 NXBSJFRETFNPTR-OAQYLSRUSA-N 462.575 4.998 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC[C@]1(C)CCCCN1C(=O)OC(C)(C)C 1902320031 AZOFVTQACBMMJF-NRFANRHFSA-N 463.710 4.662 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@]2(CCC[C@@H]2Br)C1 1918935537 FLQDXNJFJJEGAS-DZGCQCFKSA-N 466.011 4.991 50 10 JJGE O=C(N[C@H](CCl)CC1CCCC1)c1cc(Br)ccc1I 1926734616 FGTVKRFPPDEKQP-LBPRGKRZSA-N 470.576 4.971 50 10 JJGE C[C@H](NCCSSCCNC(=O)OC(C)(C)C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 1993732771 ZUDUPZYMLLXQJS-ULQDDVLXSA-N 463.710 4.564 50 10 JJGE O=C(N[C@@H]1CCC[C@@H]1CCBr)c1csc(Br)c1Br 2032953313 HFPRPMPFTMGAGN-VXNVDRBHSA-N 460.029 4.957 50 10 JJGE Cl[C@@H](c1cc(I)sn1)c1cc(Br)cc2c1OCC2 2056488196 SFPDUBZYYWPKSM-LLVKDONJSA-N 456.530 4.773 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC1CCC2(CC1)C[C@@H]2CNC(=O)OC(C)(C)C 2061264869 DAXVSQUVKBHOSN-GBFLJEJBSA-N 489.748 4.956 50 10 JJGE C[C@@H](Br)C[C@H]1CCCCN1c1ncc(I)cc1Br 2069525540 KCENZPJPBWQAIG-MWLCHTKSSA-N 488.005 4.981 50 10 JJGE CC1(C)[C@H](Br)CC[C@H]1NC(=O)c1cc(Br)sc1Br 2086023655 GLUYYAUMGVWIOY-HTQZYQBOSA-N 460.029 4.955 50 10 JJGE COC[C@H](C)OC[C@H](Br)CCc1cc(Cl)ccc1I 2099447868 SNTPKZUUTOLNOA-CMPLNLGQSA-N 461.565 4.692 50 10 JJGE ClC[C@@H](Cc1ccccc1)Nc1ncc(I)cc1Br 2133374046 UKYJDNIZJNJPRZ-GFCCVEGCSA-N 451.533 4.711 50 10 JJGE CC(C)(C)[C@@H](CCCl)NC(=O)c1ccc(Br)cc1I 2142284436 CDIFLOWCKBGECF-GFCCVEGCSA-N 458.565 4.827 50 10 JJGE CC1(C)CCC[C@@]1(CBr)NC(=O)c1ccc(F)cc1I 2150544765 GCJHNTSSSDAHKP-HNNXBMFYSA-N 454.121 4.504 50 10 JJGE Cc1sc(CBr)cc1S(=O)(=O)N(C)[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2179821437 KNJXQEQWYUBNKV-QGZVFWFLSA-N 471.486 4.625 50 10 JJGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N1CCC[C@@H](OCc2ccccc2)C1 2186388376 DOHIKPKZGGNWBB-GOSISDBHSA-N 472.832 4.866 50 10 JJGE CC(C)(C)OC(=O)NCC[S@](=O)(=NCCCCCI)c1ccccc1 2220217562 XCIUHJWQHRBJDB-RUZDIDTESA-N 480.412 4.644 50 10 JJGE CCN(C(=O)c1cc(Br)ccc1I)[C@@H]1CCC[C@H]1Cl 2224410612 PLDJLNCNOOZXHI-DGCLKSJQSA-N 456.549 4.676 50 10 JJGE COc1cc(Br)c([C@H](Br)c2cnn(C)c2I)cc1C 2227721975 FDCMJFJANHSQFF-LBPRGKRZSA-N 499.972 4.589 50 10 JJGE CC(C)[C@H]1[C@@H](Br)CCN1C(=O)c1ccc(Cl)c(I)c1 2268341720 QKKKULQOFQDTAG-GWCFXTLKSA-N 456.549 4.579 50 10 JJGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2293039237 RHWCXSZLXFENSY-XMMPIXPASA-N 453.567 4.738 50 10 JJGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(Oc3ccccc3Cl)nc3ccccn3c2=O)cc1 2296543576 NMUDFJKMTAXFOZ-UHFFFAOYSA-N 477.929 4.787 50 10 JJGE O=C(Nc1nnc(CCl)s1)C(Cc1ccccc1)=C1SC(=S)N(c2ccccc2)C1=O 2314490052 VTHVWSZNYMAYBO-UHFFFAOYSA-N 487.031 4.777 50 10 JJGE CCCCOc1ccc(C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OC 2314620750 UIGGDFDFTRWNEV-UHFFFAOYSA-N 474.557 4.718 50 10 JJGE CCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NC(C)C)cc2OC)cc1OC 2314738885 WMFSVWRHIUDWJB-UHFFFAOYSA-N 478.545 4.543 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCC)c(OCC)c2)cc1 2314777393 CGRLDUOXNNJFEF-UHFFFAOYSA-N 462.546 4.926 50 10 JJGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccc(C)cc2)cc1 2328796857 ZOULZKIQZJHDEC-QFIPXVFZSA-N 471.623 4.671 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc(Br)cc4C3=O)n2)cc1 2331276443 XOLDMTCBUNUCKP-UHFFFAOYSA-N 496.342 4.670 50 10 JJGE Cn1cnc(Br)c1[C@H](Br)c1c(F)cc(F)c(Br)c1F 2337318190 XKLCBPIYPWZUDK-MRVPVSSYSA-N 462.889 4.847 50 10 JJGE Cc1cccc(C)c1OCC(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 13981555 FKVLIPJPJPKOQM-UHFFFAOYSA-N 473.573 4.693 50 10 JJGE O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cn(Cc2ccc(Br)cc2)c2ccccc12 20533884 HVUPGWKVPNBZOI-BRJLIKDPSA-N 493.317 4.830 50 10 JJGE Cc1nn2c(=O)cc(COc3ccc(/C=C(/C#N)c4nc5ccccc5[nH]4)cc3Cl)nc2s1 33248227 PPFQWWFDLNMHNI-NVNXTCNLSA-N 474.933 4.632 50 10 JJGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)c1 40529936 WUFGXUZOTVRZDX-MHZLTWQESA-N 468.509 4.626 50 10 JJGE c1ccc(P(C[C@H]2C[C@H](P(c3ccccc3)c3ccccc3)CN2)c2ccccc2)cc1 79972182 PQHKXSOICTYGQD-GIGWZHCTSA-N 453.506 4.983 50 10 JJGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CCC)cc2)cc1 100154431 JLCPLWIJSNRMKT-UHFFFAOYSA-N 498.649 4.724 50 10 JJGE CCCOc1ccccc1/C=C(/C#N)C(=O)Oc1ccc(/C=C(/C#N)C(=O)OCC)cc1OCC 206989609 DNCKOXLOIFFJHS-WPCKRRSASA-N 474.513 4.857 50 10 JJGE Cc1cc(Br)c(NCC(=O)NN=Cc2c(O)ccc3ccccc23)c(Br)c1 254556169 FTACLBXSGPTKBT-UHFFFAOYSA-N 491.183 4.941 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc3c(c2)OCO3)cc1 254556914 WRQKSRARVPUFDF-UHFFFAOYSA-N 482.492 4.950 50 10 JJGE CCCOc1ccc(C=NNC(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1OC 256017626 XDJNRKJOBZBJIS-UHFFFAOYSA-N 459.568 4.757 50 10 JJGE Brc1cncc(Br)c1[C@H]1CCC[C@H](CI)O1 394578188 TYZWPYORVJTUGC-GMSGAONNSA-N 460.935 4.652 50 10 JJGE C[C@@H]1CCCN(C(=O)c2cc(Br)c(Br)s2)[C@H]1CBr 688624995 VZGGQVPSKLOOSV-APPZFPTMSA-N 460.029 4.909 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)NCc2cccc(Cl)c2)c(-c2ccc(Cl)cc2)n1 817991875 AMTYKWUHRXVOAL-PDGQHHTCSA-N 450.329 4.994 50 10 JJGE N#Cc1ccccc1COc1ccc(Br)cc1C=NNC(=O)CC[C@H](O)c1ccccc1 1084021535 KUPSRWHTGRHCDI-QHCPKHFHSA-N 492.373 4.864 50 10 JJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc1OCC 1865688643 XSZZDMCUDUNTBX-XMMPIXPASA-N 462.525 4.785 50 10 JJGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865693093 RMWVFBBQXALQSB-OAQYLSRUSA-N 450.926 4.714 50 10 JJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1 1865708668 CDFFYBDKPNVHFD-HSZRJFAPSA-N 480.499 4.742 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCc2c[nH]c3ccccc23)cc1 1866571044 HULMIJLMPWETDY-VWLOTQADSA-N 484.581 4.745 50 10 JJGE COc1ccc(CCN2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(F)cc4)cs3)CC2=O)cc1OC 1872753321 RFRRRHBPRADEIF-IHCLVQKISA-N 493.560 4.850 50 10 JJGE Brc1cccnc1C[C@H](Br)c1cc(I)sn1 1983286879 VJVMGYMNEVIHCJ-ZETCQYMHSA-N 473.959 4.584 50 10 JJGE C[C@H]1C[C@H](Br)CCN(C(=O)c2cc(Br)sc2Br)C1 2041568354 XHBXDFJCQVLYPV-JGVFFNPUSA-N 460.029 4.909 50 10 JJGE CN(CCCOCc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2059389926 IJMGLLDKJRVVDF-UHFFFAOYSA-N 491.245 4.571 50 10 JJGE Cc1cccc(Cn2nc(CBr)c(I)c2C(F)(F)F)c1F 2079250280 DFWOTFGBGCMXSC-UHFFFAOYSA-N 477.037 4.897 50 10 JJGE C=CC[C@](C)(CBr)CNC(=O)c1scc(Br)c1Br 2082048998 GGKJOXIHNRNFCE-GFCCVEGCSA-N 460.029 4.980 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CCC[C@](F)(CBr)C1 2101309059 WUQFKVWWFLYKJX-ZDUSSCGKSA-N 457.963 4.551 50 10 JJGE O=C(N[C@@H]1CN(C(=O)OCc2ccccc2)CC12CCC2)c1ccc(CBr)cc1 2106201098 UGNSHCJARSJVAV-HXUWFJFHSA-N 457.368 4.503 50 10 JJGE CC[C@H](Br)CN(C(=O)c1c(Br)cccc1Br)C1CC1 2107418299 JFHWCQCUNYJOSR-VIFPVBQESA-N 454.000 4.990 50 10 JJGE CN(C(=O)c1csc(I)c1)C1(CBr)CC2(CCC2)C1 2108314571 ILEHWBJFQAMSTE-UHFFFAOYSA-N 454.171 4.523 50 10 JJGE COc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)CC1CC1 2123245460 IENHTTOEZGDLNN-UHFFFAOYSA-N 458.805 4.844 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNc1cc(F)c(Br)cc1[N+](=O)[O-] 2125301149 AOKXDVHQOURGAF-UHFFFAOYSA-N 470.386 4.814 50 10 JJGE O=S(=O)(c1cc(Cl)cc(CBr)c1F)N1CC[C@H](COCc2ccccc2)C1 2179862543 XVRJYEZSVWUVEE-HNNXBMFYSA-N 476.795 4.601 50 10 JJGE Cn1nc(Br)c([C@@H](Br)c2scc(C(F)(F)F)c2Br)n1 2226987232 PMLWQJYMAVBIBE-RXMQYKEDSA-N 483.933 4.905 50 10 JJGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccccc3)C2=O)cc1 2296507208 YIYIPKVRYGAWFX-VWLOTQADSA-N 467.594 4.992 50 10 JJGE CN(Cc1ccc(I)c(Br)c1)CC(C)(C)CBr 2306222441 UOAJERRKQCQZEM-UHFFFAOYSA-N 475.006 4.907 50 10 JJGE COCc1ccc([C@H](Br)c2c(Br)c(Br)nn2C)s1 2316832997 ULVJQXUFEFAWHY-QMMMGPOBSA-N 459.001 4.637 50 10 JJGE CC[C@H]1CN(C[C@@]2(CBr)CC2(F)F)[C@H](CC)CN1C(=O)OCc1ccccc1 2326919408 MJEBGGZCPMHTOI-HBFSDRIKSA-N 459.375 4.918 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OCc2ccc(F)cc2)c1 2328821111 CGUAYFUTHHFZPU-JTSKRJEESA-N 457.546 4.794 50 10 JJGE BrCc1cc(Br)c(OC[C@H]2C[C@@H]3C[C@@H]3CO2)c(Br)c1 2331074515 VMKDGUHQMWEKDA-HBNTYKKESA-N 454.984 4.910 50 10 JJGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1 10295337 ZOVUFMDWBLEGOG-LBPRGKRZSA-N 461.996 4.681 50 10 JJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C)cc2Br)c(OCC)c1 40867299 BDKQDLHVVXYTTK-GZTJUZNOSA-N 488.334 4.611 50 10 JJGE Cc1c(/C=N/NC(=O)CC[C@H](O)c2ccccc2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 58888732 QTCXRUPUJUBOIL-CPVAOEHFSA-N 470.529 4.870 50 10 JJGE CCC(CC)[C@H](Cl)CNC(=O)c1cc(I)ccc1Br 230655064 WXCXHCIRUGKMBL-CYBMUJFWSA-N 458.565 4.827 50 10 JJGE CC(=NNC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1cccnc1 254813512 QFSLBUWZFSUXOJ-UHFFFAOYSA-N 498.608 4.627 50 10 JJGE CC[C@H]1[C@H](CBr)CCN1C(=O)c1cc(Br)cc(Br)c1 386343376 XJAFTMPADWJCDW-ZANVPECISA-N 454.000 4.847 50 10 JJGE C[C@@H]1CN(S(=O)(=O)c2cc(CCl)sc2Br)[C@H](C)[C@@H](C)N1Cc1ccccc1 404267700 GEEUGPSAISOWDI-RBSFLKMASA-N 491.904 4.921 50 10 JJGE CC(C)(C)CN(CCCl)C(=O)c1cc(I)ccc1Br 690936669 YYRGNOQBSNKOMD-UHFFFAOYSA-N 458.565 4.781 50 10 JJGE CCOc1ccc([C@@H](Br)c2c(Br)cnn2C)c(Br)c1 693071541 URTPMKCEGCNBSC-GFCCVEGCSA-N 452.972 4.828 50 10 JJGE CC[C@@H](C[C@H](C)Br)NC(=O)c1ccc(I)c(Br)c1 721605946 ULUODFWYSVNDGP-WPRPVWTQSA-N 488.989 4.736 50 10 JJGE CC(C)N(CCCBr)C(=O)c1ccc(I)c(Br)c1 721617730 XKHQDDWJDWRDGK-UHFFFAOYSA-N 488.989 4.689 50 10 JJGE CCOc1cc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(F)cc1 1083982092 ANFZJPSDEPDTEK-UHFFFAOYSA-N 469.900 4.546 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc(F)c3)c(OC)c2)cc1 1084626817 UVOKNXXPKAIMNA-XMMPIXPASA-N 480.536 4.776 50 10 JJGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2)c1ccccc1 1772744546 FKAMQHCCXXOPEW-UHFFFAOYSA-N 460.490 4.633 50 10 JJGE COCCN1[C@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)C[C@H]1C 1868207562 NZKWQCNMPQHKSJ-NHCUHLMSSA-N 488.661 4.930 50 10 JJGE N#C/C(=C(/O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2c[nH]c3ccccc23)cs1 1872751715 STIPXHKUMIXDEA-HKWRFOASSA-N 485.481 4.679 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCCCOCc2ccccc2)C1 1881763363 POPBHZXTMXFWLG-OAQYLSRUSA-N 489.394 4.815 50 10 JJGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1ccc(CBr)cc1Cl 1912988366 DHSXMEPZQWDKSS-UHFFFAOYSA-N 458.743 4.649 50 10 JJGE c1cc([C@H]2CC[C@]3(CC2)OOC2(O3)[C@@H]3C[C@H]4C[C@H](C[C@@H]2C4)C3)ccc1OCCN1CCOCC1 2065331920 XLCNVWUKICLURR-KVHIVIFBSA-N 469.622 4.882 50 10 JJGE CN(c1ncc(I)cc1Br)C1(CBr)CC(C)(C)C1 2069537831 POGKCXDONYDGQB-UHFFFAOYSA-N 488.005 4.839 50 10 JJGE O=C(c1csc(Br)c1Br)N1CCC2(CC1)C[C@@H]2CBr 2093942666 XUEVDQYIWPXVLZ-MRVPVSSYSA-N 472.040 4.910 50 10 JJGE CC1(C)CC[C@@H](Br)CN1C(=O)c1cc(Br)ccc1Br 2099880562 WIESXESZSPVBTE-SNVBAGLBSA-N 454.000 4.990 50 10 JJGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1cc(Br)cc(Br)c1 2104410111 CUMUDWVITAMGTC-BOOASOPXSA-N 451.984 4.503 50 10 JJGE C=CC[C@](C)(CBr)CNC(=O)c1ccc(Br)cc1Br 2137193725 PPUOMZGVUQXNIU-CQSZACIVSA-N 454.000 4.919 50 10 JJGE CC[C@H]1CN(C(=O)c2c(Br)cccc2Br)C[C@@H]1CBr 2140789984 VMJSEOZTKCMDSY-UWVGGRQHSA-N 454.000 4.705 50 10 JJGE O=C(NCC[C@H]1CCCC[C@H]1Cl)c1cc(Br)ccc1I 2179635076 AXJSBGIRBNGZOV-ZWNOBZJWSA-N 470.576 4.971 50 10 JJGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(F)c(Cl)c(CBr)c1 2179864071 WAQUGNXUPHGAEX-UHFFFAOYSA-N 478.811 4.990 50 10 JJGE C=CCC[C@@H](CBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 2196141959 NVWRWDVCFZHBKK-JTQLQIEISA-N 490.055 4.528 50 10 JJGE Cc1ccc(N2C(=O)[C@H](Cc3cccc([N+](=O)[O-])c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2293038671 SMUCCMMTSQSZNN-DEOSSOPVSA-N 498.564 4.646 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CCC2(CC(Br)C2)C1 2295311956 REBZMHLFJYTXIJ-UHFFFAOYSA-N 466.011 4.530 50 10 JJGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc(F)c1 2313565339 SQZMEKYNSSOKQX-UHFFFAOYSA-N 471.532 4.669 50 10 JJGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592204 NUZGBXZLFMTIIL-HSZRJFAPSA-N 455.539 4.760 50 10 JJGE N#CC(=Cc1ccc(Br)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 2329662184 YSJTUNTUERXFHJ-UHFFFAOYSA-N 457.283 4.770 50 10 JJGE CC(C)(C)[C@](C)(CBr)CN1CCC[C@H](N(CC(F)F)C(=O)C(F)(F)F)C1 2380200271 SGFAZCIDLRYWRL-BLLLJJGKSA-N 451.318 4.554 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)c(C)n1-c1ccc(F)cc1 11459008 FCTBYSSTCJGZMU-VXLYETTFSA-N 476.895 4.847 50 10 JJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)Nc1ccccc1 12490945 QHBRUHPPTCKZPZ-UHFFFAOYSA-N 493.155 4.597 50 10 JJGE CCC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 14784127 DWTRAIUVUHFCIH-UHFFFAOYSA-N 473.573 4.775 50 10 JJGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(\C#N)C(=O)Nc2ccccc2)cc1 15401584 JKPHDDATYPIXDW-QPQMVVSWSA-N 484.537 4.968 50 10 JJGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 38607517 HTBHJEGADPBLSN-JCMHNJIXSA-N 453.454 4.690 50 10 JJGE CCNC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(N3CCCCC3)o2)sc2c1CCCC2 38704605 QIGYDJRCOHVPRR-PEZBUJJGSA-N 452.580 4.506 50 10 JJGE O=C(NNc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-])c1ccccc1 40583278 FNUCQHMWGXJJKT-UHFFFAOYSA-N 452.780 4.558 50 10 JJGE Cc1c(C(=O)Nc2cccnc2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816342 IFJOLRFSWJSINZ-OGLMXYFKSA-N 487.343 4.778 50 10 JJGE CC(C)COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc(N3CCCCC3)n2)cc1 169927474 ACAITDXYGHKTSI-MTDXEUNCSA-N 457.578 4.933 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N[C@@H](CCBr)C(C)C)cc1Br 231177798 OUMRPSWGDUTHPI-LBPRGKRZSA-N 492.071 4.608 50 10 JJGE O=C(NN=Cc1cc([N+](=O)[O-])cc(Br)c1O)[C@@H]1CC1(c1ccccc1)c1ccccc1 252603468 FRYBIOZEBCJIKX-IBGZPJMESA-N 480.318 4.519 50 10 JJGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 254820805 DQIUEPZLWOPATB-UHFFFAOYSA-N 468.469 4.854 50 10 JJGE CCOc1cc(C=NNC(=O)COc2ccc3ccccc3c2)ccc1OCC(=O)Nc1ccccc1 254836663 RLDFFMDIEMSOMQ-UHFFFAOYSA-N 497.551 4.785 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccc(O)cc3)n2-c2ccc(C)cc2)cc1 254838636 JEVJIVGJFAKOSF-UHFFFAOYSA-N 487.585 4.589 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3cccs3)n2-c2ccccc2)cc1OC 254876887 HTNXYYOPCQBYGO-UHFFFAOYSA-N 493.614 4.646 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2ccc(O)c(Br)c2)C1 382684605 BVUNTPJRXVCQTQ-HZPDHXFCSA-N 469.173 4.902 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CCC(F)(F)[C@H](CBr)C1 403903166 LRGRXOSOGPIZSC-ZCFIWIBFSA-N 481.982 4.765 50 10 JJGE Cc1csc([C@H](C)NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)n1 727669511 MHNUBYFEHJSHLH-HAKPAVFJSA-N 450.955 4.666 50 10 JJGE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C=NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 1084291041 AHSTVZRCZZEIFG-CQSZACIVSA-N 476.320 4.622 50 10 JJGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)c1 1865689952 HLYACKPUWBVGDS-IBGZPJMESA-N 454.452 4.876 50 10 JJGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697681 ZGEIYGYPQQSXMZ-XMMPIXPASA-N 458.562 4.816 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccccc1OC)C(C#N)=C(N)O2 1865709938 KQNYNDNKFQKTRZ-NRFANRHFSA-N 452.917 4.903 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccccc1[N+](=O)[O-] 1865710276 SUOQZFAKPLDGNJ-INIZCTEOSA-N 475.814 4.730 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865713345 WXGOAGLLAZYFLA-QHCPKHFHSA-N 497.486 4.872 50 10 JJGE CCC[C@@H](NC(=O)c1cc(-c2ccc(C)c(C)c2)n(C)n1)C(=O)Nc1ccc(SC#N)cc1 1866825329 FAAAYPRGFQBBIU-OAQYLSRUSA-N 461.591 4.814 50 10 JJGE CCCC[C@@H](NC(=O)c1cc(C)n(-c2cccc(C)c2)n1)C(=O)Nc1ccc(SC#N)cc1 1866845796 KFWVPCXWOAJAAJ-JOCHJYFZSA-N 461.591 4.990 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)COc4ccc(Cl)cc43)n2)c(OC)c1 1872755667 ZEJNTYPRSMYTQT-MNDPQUGUSA-N 483.933 4.699 50 10 JJGE O=C(c1scc(Br)c1Br)N1CC[C@@H](C(F)(F)CBr)C1 1892737515 INSZGLUGFRVWMI-ZCFIWIBFSA-N 481.982 4.765 50 10 JJGE Fc1cc2c(cc1I)nc(CCCl)n2-c1csnc1Br 1926868693 UKVYDWIQMHGNPE-UHFFFAOYSA-N 486.535 4.770 50 10 JJGE ClCCc1nc2cc(I)ccc2n1CCc1cnn(Cc2ccccc2)c1 2146280719 YDHUXNVPOWONFP-UHFFFAOYSA-N 490.776 4.910 50 10 JJGE CN(Cc1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)c(CBr)c2)CC1 2179793791 YVVDASUZBNJWJH-UHFFFAOYSA-N 471.848 4.520 50 10 JJGE Cc1ccc(I)c(C(=O)N2CCC[C@H](CCBr)CC2)c1 2240904700 AYTWKEAJHQNVPH-CYBMUJFWSA-N 450.158 4.627 50 10 JJGE Fc1cc(Br)cc(F)c1CO[C@@H](CCl)[C@@H](I)CCl 2259031541 KKIYDDHVDZURGW-QWRGUYRKSA-N 473.910 4.894 50 10 JJGE CCC(CC)(CBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277924034 BQKBRLWFQASPJG-UHFFFAOYSA-N 456.016 4.824 50 10 JJGE O=C(c1c(F)cccc1I)N(CCBr)C1CCCCC1 2282800638 GGNOFSKGVWWLAB-UHFFFAOYSA-N 454.121 4.600 50 10 JJGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 2313546034 YBMJNKVJWBFAHK-UHFFFAOYSA-N 477.904 4.998 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2CC[C@H]1C[C@H]2Br 2337158942 YACAGCLONXRUDF-UBHAPETDSA-N 451.984 4.600 50 10 JJGE COc1ccc([C@H](Br)c2c(Br)c(Br)nn2C)cc1F 2338722928 RQOOPBHAPXESRE-VIFPVBQESA-N 456.935 4.577 50 10 JJGE CC(C)[C@H]1C[C@H](Br)CN1C(=O)Cc1cc(Br)cc(Br)c1 2370731135 LQVZZBZXTMVQMU-UONOGXRCSA-N 468.027 4.775 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccccc2)cc1Br 14640714 RLHDADPIPXNKJD-UHFFFAOYSA-N 490.398 4.588 50 10 JJGE Cc1cccc(C)c1OCC(=O)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 14669643 FBNGZLWCDAFDDG-UHFFFAOYSA-N 497.389 4.527 50 10 JJGE CCCCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(C[C@H](C)O)C(=O)C(C#N)=C3C)o2)ccc1Cl 16638944 VFSPCTRXNQHHFD-UZUMKDMXSA-N 496.947 4.530 50 10 JJGE Cc1cccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2C)c2ccccc23)c1 20558705 YMLQRESTRCUIPQ-XMMPIXPASA-N 469.566 4.830 50 10 JJGE Cc1ccccc1OCC(=O)N/N=C\c1ccccc1OCc1cccc(Br)c1 35168490 QQBCMJNUHMKGFU-QFEZKATASA-N 453.336 4.866 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)c1 38650257 ALKLSSCAYOQCFH-JOCHJYFZSA-N 477.860 4.694 50 10 JJGE Cc1c(C(=O)Oc2cccnc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813746 HIWQBQLIIHDMKN-YZSQISJMSA-N 458.301 4.979 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCC)c(Br)c2)cc1 58893824 AZAXFQCSNXSHGD-HTAGGTJDSA-N 483.790 4.864 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3cc(C(=O)OC)ccc3C)c2C)cc1 58894530 SEEQGLFEZWZZOK-WVOIHLJESA-N 491.588 4.552 50 10 JJGE COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Sc2nc(C)cc(C)n2)c([N+](=O)[O-])c1 59220107 CKVJQKIGUBTFTF-BOPFTXTBSA-N 461.503 4.707 50 10 JJGE C[C@@H]1CCC[C@](CCl)(NS(=O)(=O)c2cc(Br)ccc2Br)C1 96873297 KDYSWMAAJARNMV-YGRLFVJLSA-N 459.631 4.678 50 10 JJGE COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OC)c(COc3cc(F)ccc3[N+](=O)[O-])c2)cc1 98063480 ZUIQBNUHHLUKCZ-ODLFYWEKSA-N 491.475 4.553 50 10 JJGE Cc1ccc(C=NNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c(C)c1C 252591208 AYZRKKQRGKKLFK-UHFFFAOYSA-N 484.021 4.995 50 10 JJGE CCOc1cc(C(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc(OCC)c1OCC 254346986 GFXOJKNGSFBDPN-UHFFFAOYSA-N 467.478 4.815 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc(C(C)C)cc2)ccc1OC(=O)/C=C\c1ccccc1 254372374 IHGZFVNVHOFWIX-PGJCQHJRSA-N 472.541 4.967 50 10 JJGE CC(=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccccc1O 254606745 JMVDPUAIVCLFHL-UHFFFAOYSA-N 471.586 4.889 50 10 JJGE Cc1c(F)cccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382689434 LTFUJVGRTYFLTP-FUHWJXTLSA-N 453.295 4.921 50 10 JJGE C[C@H]1CC[C@H](CBr)CN1C(=O)c1cc(Br)sc1Br 688646729 SZCWUOGZBGFVJA-JGVFFNPUSA-N 460.029 4.909 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CCSC[C@@H]1CCBr 689218055 KTJQSBLGOJPUDC-ZETCQYMHSA-N 478.069 4.616 50 10 JJGE Cc1cccc(C(=O)N2CCC[C@@H](C)[C@@H]2CCBr)c1I 697200078 KHSLTCNDMUPUON-RISCZKNCSA-N 450.158 4.625 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2CC[C@@H](Cl)C[C@H]2C1 721615102 RELVFIUBWYRQEF-SDDRHHMPSA-N 468.560 4.533 50 10 JJGE O=C1Nc2cc(Cl)ccc2[C@H]1C1CCN(S(=O)(=O)c2ccc(CCCCl)cc2)CC1 727464413 RKIOUELYWAWEBU-OAQYLSRUSA-N 467.418 4.648 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)OCc2nnc(-c3ccccc3)o2)c(-c2ccc(Cl)cc2)n1 782090034 GXLHDPRDVHQHBG-CPNJWEJPSA-N 484.903 4.818 50 10 JJGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 1083928626 RRKCJCXNCGJERE-RUZDIDTESA-N 472.541 4.656 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCC)cc2Br)cc1 1083951220 WCAVYIQBKVVAQB-FQEVSTJZSA-N 493.398 4.609 50 10 JJGE O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc(F)cc1 1084284996 XJGNURDGRCTEOQ-UHFFFAOYSA-N 460.292 4.800 50 10 JJGE CCc1cccc2c(/C=C(/C#N)C(=O)NCc3cccs3)cn(CC(=O)N3CCCCC3)c12 1084499138 AJAVTDBTQZUADK-ZHZULCJRSA-N 460.603 4.501 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1OC 1865695054 ILMHZMMGKILFKG-HSZRJFAPSA-N 465.513 4.560 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705643 ASPNPWCPSNPRFY-LJQANCHMSA-N 480.322 4.714 50 10 JJGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1 1865714744 PFHUIUILOAWYGY-INIZCTEOSA-N 491.267 4.880 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2cccc(-n3cccc3)c2)cc1 1866614758 XYVRDPUQKSKBFG-VWLOTQADSA-N 482.565 4.736 50 10 JJGE CN1C(=O)C(C)(C)c2cc(C(=O)N[C@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)ccc21 1867203420 KOBCGLMXLULOLN-QHCPKHFHSA-N 484.581 4.624 50 10 JJGE CCN(Cc1ccc(I)c(Br)c1)C[C@@H](C)Br 1904343233 GJMHHSZICOXSBZ-SECBINFHSA-N 460.979 4.659 50 10 JJGE CC1(C)CC[C@@H](Br)[C@H](CNC(=O)c2sccc2I)C1 1927041715 JRUFKHPULUEJHP-VHSXEESVSA-N 456.187 4.672 50 10 JJGE C[C@H]1C[C@H](CBr)CCN1C(=O)c1csc(Br)c1Br 2052360331 PXAWJHZBPVPCJZ-JGVFFNPUSA-N 460.029 4.909 50 10 JJGE Cc1cc(C(F)(F)F)cc(-n2nc(CCl)c(I)c2C(F)(F)F)n1 2078889062 JLNZCHKREDGAEB-UHFFFAOYSA-N 469.554 4.957 50 10 JJGE CCOc1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)cc1 2079259159 RXUQKLSWJHBBGV-UHFFFAOYSA-N 475.046 4.789 50 10 JJGE Oc1nc2cc([C@H](Br)c3sncc3Br)c(Br)cc2[nH]1 2088927191 IZYASZLEKSMCAT-VIFPVBQESA-N 467.968 4.734 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H]2[C@H](Br)CCC[C@H]2C1 2094595516 SDMHDVGRDZYJMS-DJLDLDEBSA-N 472.040 4.909 50 10 JJGE C[C@@H]1C[C@H](CBr)CCN1C(=O)c1c(Br)cccc1Br 2115831133 HXVRHEDWLGUJEC-NXEZZACHSA-N 454.000 4.847 50 10 JJGE C[C@@H]1C[C@H](CBr)CCN1C(=O)c1cc(Cl)ccc1I 2115842995 JTTLIUOGIZQYHB-NXEZZACHSA-N 456.549 4.580 50 10 JJGE O=S(=O)(c1cc(CBr)cc(F)c1F)N(Cc1ccccc1)CC(F)(F)F 2123272298 YKZURISLHZHKJO-UHFFFAOYSA-N 458.246 4.613 50 10 JJGE BrCCCO[C@@H]1CCN(Cc2cc(Br)ccc2Br)C1 2142053533 RVAQPASIDQJASQ-CYBMUJFWSA-N 456.016 4.588 50 10 JJGE Cc1cccc(C(=O)N[C@@H]2CCCC[C@H]2CCBr)c1I 2146717993 FPDDCKGSLYUDFV-GXTWGEPZSA-N 450.158 4.673 50 10 JJGE C[C@@H](Br)C[C@H]1CCCCN1C(=O)c1cc(I)ccc1F 2169664035 PXAIISQCMSJCHA-ZYHUDNBSSA-N 454.121 4.599 50 10 JJGE CCC[C@@H](CBr)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2177248601 KCOQSUVWBGNBFM-QMMMGPOBSA-N 468.038 4.845 50 10 JJGE C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(CBr)c(Cl)c2)CN1Cc1ccccc1 2179858718 SGIKWWPRFIEWFU-CRAIPNDOSA-N 471.848 4.518 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@@H](Br)C(F)(F)CC1 2283653112 CJBRPSTXTLTBDW-LLVKDONJSA-N 478.502 4.579 50 10 JJGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1cc(Cl)sc1Cl 2303539040 NENHEKXURRMQAD-LBPRGKRZSA-N 473.241 4.704 50 10 JJGE BrC[C@]12CC[C@H]1CN(Cc1ccc(I)c(Br)c1)C2 2325232607 DAFXVALHOGPLIB-FZMZJTMJSA-N 485.001 4.661 50 10 JJGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NN=Cc1cccc(Cl)c1Cl 2325903665 POZPXDIMVNFXPL-UHFFFAOYSA-N 457.342 4.582 50 10 JJGE CN(C[C@H]1CCC[C@@H]1Br)C(=O)c1ccc(Cl)cc1I 2340062372 YYPAZXXHOPMSHH-SKDRFNHKSA-N 456.549 4.580 50 10 JJGE Cc1cccc(Cl)c1COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2C)o1 20291631 FTUBYTWDXFEDKQ-BRJLIKDPSA-N 468.966 4.950 50 10 JJGE C/C(=N\NC(=O)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-])c1ccc2ccccc2c1 33304085 CWLYZLVEYFYHHU-MFKUBSTISA-N 492.333 4.909 50 10 JJGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)cc1 38651021 OZGFWGPUTZWGLV-XMMPIXPASA-N 462.889 4.551 50 10 JJGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 39858536 AHPTZPBNODGPPA-VKAVYKQESA-N 456.889 4.994 50 10 JJGE CCCOc1ccccc1/C=C/C(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1 40946955 VFTPXIITWSZOHF-LOAFYOGGSA-N 456.498 4.911 50 10 JJGE CCOc1ccc(/C=N/NC(=O)CCCOc2ccc(C)cc2Br)cc1OCC 40951262 GMMYDBXYNYJVIR-BUVRLJJBSA-N 463.372 4.864 50 10 JJGE O=C(N[C@H]1CCCCC[C@H]1Br)c1ccc(I)c(Cl)c1 232349830 WHQAZBJXURXLCR-MFKMUULPSA-N 456.549 4.771 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C)c(C)c3)cc2)cc1 254375685 FERHKBJVUUVOJU-UHFFFAOYSA-N 460.530 4.841 50 10 JJGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccccc2O)cc1 254484746 IFKRPVYHGAXSMR-DGMZLKBQSA-N 470.573 4.550 50 10 JJGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc(F)cc3)nnc2-c2ccccc2)cc1 254492489 GPESLURRAKEABX-UHFFFAOYSA-N 475.549 4.715 50 10 JJGE C[C@@H]1C[C@H](CI)[C@@H](I)[C@@H](C)N1Cc1ccccc1 307490054 AATRYUVDDFYFQU-GBOPCIDUSA-N 469.148 4.524 50 10 JJGE O=C(N[C@@H]1CCC[C@H](CBr)C1)c1cc(Br)cc(Br)c1 311456754 DSMJIMVOJMRTCU-TVQRCGJNSA-N 454.000 4.895 50 10 JJGE CC(C)(C)OC(=O)NCCN1CCNC[C@H]1c1ccc(CCO[Si](C)(C)C(C)(C)C)cc1 616636975 ZFTQOUSUEWNCPT-QFIPXVFZSA-N 463.739 4.722 50 10 JJGE BrCc1c(Br)cccc1N1CC[C@@]2(CN(Cc3ccccc3)CCO2)C1 717594528 QVGNCYQSULHHMM-OAQYLSRUSA-N 480.244 4.825 50 10 JJGE CC(=O)N1CC[C@H](NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)c2ccccc21 1127177913 VCDLZEHUQIZWKT-ZMIGGIFCSA-N 452.558 4.924 50 10 JJGE C/C(=C/C(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1)c1cccc(Cl)c1 1136464075 GXIPYEABUIDGHN-MXDSONSJSA-N 459.977 4.518 50 10 JJGE C/C(=C\C(=O)NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1ccccc1Cl 1306151374 LPUAGHQQWNCPQD-WYMLVPIESA-N 450.951 4.913 50 10 JJGE C#CCCN1CCC(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc4ccccc34)c2C)CC1 1444692637 WDBCXCVQHMPLPR-PLRJNAJWSA-N 450.586 4.758 50 10 JJGE CC(=O)CN(CC(C)C)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Br)cc2)c1C 1570472869 QYUQSFHFACCZLO-JAIQZWGSSA-N 456.384 4.837 50 10 JJGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cc(Cl)ccc1O)C(C#N)=C(N)O2 1865689787 WPBZCMLWTXCGOL-LJQANCHMSA-N 459.308 4.863 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc(OC)c1OC 1865692069 IQORHQMAPLYALG-FQEVSTJZSA-N 487.343 4.732 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc(OC)c1OC 1865692282 KVAFJWKOQZNGSN-DEOSSOPVSA-N 494.551 4.842 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865698839 DLPNKXZRLYGJCG-QFIPXVFZSA-N 471.948 4.817 50 10 JJGE Cc1ccc(C(=O)CCC(=O)NNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c1 1865760465 YVRDXPVOUUEDJG-UHFFFAOYSA-N 460.374 4.765 50 10 JJGE CSCC[C@@H](NC(=O)Cc1nc(-c2cccc(C)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866647828 LRTUTBZZMLVLGZ-OAQYLSRUSA-N 494.642 4.951 50 10 JJGE CSCC[C@H](NC(=O)Cc1nc(-c2ccc(F)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866662249 SIFPANDNOWNWFE-FQEVSTJZSA-N 498.605 4.781 50 10 JJGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2n[nH]c3c2CCCC3)cc1 1866853967 XSITXYPTEUKZMT-JOCHJYFZSA-N 491.642 4.532 50 10 JJGE O=C(c1ccc(Br)c(O)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915315437 WGYCXIKUWRNPMK-QGZVFWFLSA-N 453.174 4.971 50 10 JJGE CN(CC1(CBr)CC1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1915547032 IADRPWBSYUOGKW-UHFFFAOYSA-N 466.022 4.552 50 10 JJGE O=C1[C@H](Br)CCCN1c1cc(Br)c(Br)c(Br)c1 1946445847 RQWRFTXPUNGRIK-SSDOTTSWSA-N 490.815 4.864 50 10 JJGE CN(C[C@H]1C[C@H]1Br)C(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2020201239 PYYWEUSIBDGCIT-ZWNOBZJWSA-N 462.182 4.652 50 10 JJGE C=CCC[C@@H](CBr)NC(=O)c1ccc(Br)cc1I 2086144754 DNZGHGFACRFUJZ-JTQLQIEISA-N 486.973 4.513 50 10 JJGE CC1(C)CC[C@H](Cl)CN1C(=O)c1cc(Br)ccc1I 2099882817 REKJYQQBPCRCBQ-JTQLQIEISA-N 456.549 4.676 50 10 JJGE O=S1(=O)CCC[C@@H]([C@H](Br)c2scc(C(F)(F)F)c2Br)C1 2146094072 CYMJMADUMXXXCT-SVRRBLITSA-N 456.143 4.790 50 10 JJGE COCC1([C@H](Br)c2cc(I)cc3c2OCC3)CCCC1 2150585381 KHQWFKBAAAZMID-OAHLLOKOSA-N 451.142 4.869 50 10 JJGE Fc1cc2c(cc1I)nc(CCCl)n2[C@]12C[C@@H]1CN(Cc1ccccc1)C2 2155866139 VJHLIILPGBFFCM-VFNWGFHPSA-N 495.767 4.792 50 10 JJGE Cn1nc(CC(CBr)(CBr)c2ccccc2F)cc1Br 2168213415 WYPAMTORRHFMGW-UHFFFAOYSA-N 468.990 4.592 50 10 JJGE O=C(c1cc(Br)ccc1I)N1C[C@@H](Cl)C2(CCCC2)C1 2174368148 IUYIMADEIGROBP-CYBMUJFWSA-N 468.560 4.677 50 10 JJGE O=C(c1cc(I)ccc1Br)N1C[C@@H](Cl)CCC12CCC2 2174540509 OVYNEKALXFZSTC-JTQLQIEISA-N 468.560 4.820 50 10 JJGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N(C)[C@@H]1CC[C@@H]1OCc1ccccc1 2179859536 FRXDEZCZLDBSGU-MOPGFXCFSA-N 472.832 4.912 50 10 JJGE O=C(NC[C@@]1(CBr)C[C@@H]1C(F)(F)F)c1cc(Br)sc1Br 2192581421 PUCRJQWNGJAALX-WKEGUHRASA-N 499.972 4.966 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@H](Br)CCC12CC2 2227509391 RPUIWBXISARFNN-SECBINFHSA-N 451.984 4.744 50 10 JJGE C[C@H](Br)C[C@H]1CCCN1C(=O)c1ccc(Cl)c(I)c1 2268352299 ZNZPNYDJWVXIED-GXSJLCMTSA-N 456.549 4.723 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2283662876 LEKQDHRXIJSNDS-CHIMOYNISA-N 468.560 4.723 50 10 JJGE COc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314592936 DTFIGCSZTKMLMU-DEOSSOPVSA-N 487.556 4.577 50 10 JJGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2c(C)cc(Br)cc2C)c(OC)c1 2314734515 CCJFUEPVWGSXSW-UHFFFAOYSA-N 488.334 4.529 50 10 JJGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OC(C)C)c(OC)c2)c(OCC)c1 2314774431 KWDMEYQQAXBYIF-UHFFFAOYSA-N 479.529 4.970 50 10 JJGE N#CC(=CN1CCN(c2ccccc2F)CC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2318463188 YFKIGNUVDWAWLF-UHFFFAOYSA-N 452.839 4.666 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CC(S(C)(=O)=O)C1 2365196863 QRWCOKVDFPRZFH-AYVLWNQUSA-N 493.030 4.918 50 10 JJGE CCn1nc(Br)c(CC(CBr)(CBr)C2CCCCC2)n1 2379954139 INFWVCRDWTXXGF-UHFFFAOYSA-N 472.063 4.960 50 10 JJGE Cc1ccc(OCC(=O)N/N=C/c2ccccc2OCc2ccccc2)c(Br)c1 12581819 GZQRLKUKBMMKPO-AFUMVMLFSA-N 453.336 4.866 50 10 JJGE CCCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(CC)cc1Br 14032699 HFABYVJZALRGGV-UHFFFAOYSA-N 477.399 4.811 50 10 JJGE O=C(O)CCCc1ccc(N(CCCl)CCOP(=O)(OCCCl)OCCCl)cc1 212653694 CSEACIGFUWJAIO-UHFFFAOYSA-N 490.748 4.775 50 10 JJGE in-vitro CCOc1cc(/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 214331713 ZTJOGUJRDGVHIS-BHMTVCBESA-N 490.531 4.575 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](c2cccc(Br)n2)[C@@H](CBr)C1 382711192 HFZFAKJMPVHRCR-LSDHHAIUSA-N 454.162 4.591 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CCC(F)(F)[C@@H](CBr)C1 403919518 RMGXJZYRZSXAAW-LURJTMIESA-N 481.982 4.765 50 10 JJGE FC(F)(F)c1cnc(N2CCC[C@@H](CCBr)C2)c(I)c1 686110611 DYYLLTJYJARQRX-VIFPVBQESA-N 463.079 4.706 50 10 JJGE CC(C)(C)N(CCBr)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 707938021 NIWKNRJTQNWAIA-UHFFFAOYSA-N 468.038 4.940 50 10 JJGE C[C@@H]1CCCN(C(=O)c2ccc(I)c(Br)c2)[C@H]1CCCl 721623821 VGHIOOXQHGUJBY-YGRLFVJLSA-N 470.576 4.923 50 10 JJGE CC(=NNC(=O)Cc1nn2c(C3CCCCC3)nnc2s1)[C@@H]1C[C@@H]1c1ccccc1Cl 920369487 WHGUXADLCMRGKK-DLBZAZTESA-N 457.003 4.725 50 10 JJGE O=C(NN=Cc1cccc(OCc2ccc(F)cc2)c1)C(=O)Nc1cccc(C(F)(F)F)c1 1084074367 OGNYROMTZXHHBL-UHFFFAOYSA-N 459.399 4.512 50 10 JJGE Cc1cc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)ccc1[N+](=O)[O-] 1614641315 KCKRZCRGQKDDCG-ROUUACIJSA-N 480.302 4.690 50 10 JJGE Cc1c(C(=O)N2CCCCCC2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743901 NJZRPOQRIFRJGS-UHFFFAOYSA-N 472.383 4.837 50 10 JJGE CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)C(=O)Nc1ccc(SC#N)cc1 1860746665 XHECUTPKSOUFFO-UHFFFAOYSA-N 496.526 4.650 50 10 JJGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(Br)cc1 1865693393 NVPDYBYKIPNETD-NRFANRHFSA-N 495.377 4.959 50 10 JJGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707385 VPMZHMVCUNCCOW-SFHVURJKSA-N 457.317 4.674 50 10 JJGE CC[C@](C)(NC(=O)[C@H](c1ccc(OC)c(OC)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866989829 JAVZXVDDIUMKSB-DHLKQENFSA-N 469.607 4.940 50 10 JJGE COc1cc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(C(C)(C)C)C3)n2)c(OC)cc1Cl 1872754684 DKUYXJBPDXBHMI-SXPRPLFSSA-N 461.971 4.920 50 10 JJGE N[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]1Br 1877396360 GQJFIZVCHXDUKI-SAMGZKJBSA-N 468.834 4.819 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 1908357228 GEKMLLQTJPXXGU-YVHKJVDXSA-N 475.721 4.518 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1 2010829226 SJTWNRCJHNVOOJ-UHFFFAOYSA-N 475.721 4.662 50 10 JJGE COc1cc(C=C(C#N)c2nnc3n2CCCCC3)ccc1OC(=O)c1ccc(Br)o1 2042453427 ILEAFPGENNJSLS-UHFFFAOYSA-N 483.322 4.652 50 10 JJGE N#C[C@H]1CN(c2cc(Br)cc(F)c2CBr)CCN1Cc1ccccc1 2051133148 MEWSXKZBLGUOHF-INIZCTEOSA-N 467.180 4.697 50 10 JJGE CCC[C@@H](Br)c1cn(-c2ccc(Br)c(I)c2)nn1 2057427313 PBBOMNYTAMHWJF-SNVBAGLBSA-N 484.961 4.871 50 10 JJGE C/C(=N/NC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1ccc(Oc2ccccc2)cc1 2059028581 IDLNUIYMKBEDMS-ONUIUJJFSA-N 492.582 4.890 50 10 JJGE COCCCN(Cc1ccccc1)S(=O)(=O)c1cc(CCl)cc(Br)c1C 2095872026 MDHMQLXOOXUWQC-UHFFFAOYSA-N 460.821 4.724 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CCC[C@@](F)(CBr)C1 2101310781 OUZBGLSBBDJPQF-CYBMUJFWSA-N 457.963 4.551 50 10 JJGE O=C(OCc1ccccc1)N1CCC2(CC1)CCN2C(=O)c1ccc(CBr)cc1 2106773484 SCEARHKWMOZSSS-UHFFFAOYSA-N 457.368 4.599 50 10 JJGE C[C@H](Cl)CCCc1cn(-c2cc(I)ccc2Br)nn1 2132752934 AEJHWVDHRAEYSN-VIFPVBQESA-N 454.537 4.584 50 10 JJGE Cc1cc(Br)c(C)c([C@H](Br)C2(C)CS(=O)(=O)C2)c1Br 2136373447 BYPDIHAINSGLNI-LBPRGKRZSA-N 475.040 4.699 50 10 JJGE O=C(NC[C@@]1(CBr)CC12CCC2)c1cc(Cl)ccc1I 2154204041 NFXMOVRBXNMOCP-HNNXBMFYSA-N 468.560 4.630 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CCC([C@H](F)CBr)CC1 2163243103 AJZUCEMFDNZPEE-GFCCVEGCSA-N 474.539 4.530 50 10 JJGE O=C(c1cc(I)ccc1Br)N1[C@H](CCl)C[C@@H]2CCC[C@H]21 2164664159 QDTATUMRMWAXQF-NURSFMCSSA-N 468.560 4.676 50 10 JJGE C[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)CC[C@@H]1CCCl 2172462529 FESQBIMZONCQQM-QWRGUYRKSA-N 470.576 4.781 50 10 JJGE CC1(C)C[C@H](CBr)CN1c1ncc(C(F)(F)F)cc1I 2184276886 AJHQPYWHDZCHRA-MRVPVSSYSA-N 463.079 4.705 50 10 JJGE O=C(N[C@@H](CBr)CC1CCOCC1)c1scc(Br)c1Br 2195478868 MJPWLIWLIIBKBA-SECBINFHSA-N 490.055 4.583 50 10 JJGE CC(CBr)(CBr)NC(=O)c1cc(Br)c(F)cc1Cl 2258093820 YVVCHEUUQGPXOG-UHFFFAOYSA-N 466.370 4.520 50 10 JJGE Cc1cc(Br)cc(C(=O)N[C@@H](CCBr)COCc2ccccc2)c1 2303545711 WCXCCHLYIQSMAB-SFHVURJKSA-N 455.190 4.858 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CSc1ccc(C)cc1 2314770797 MLXDRXBKHCNKES-UHFFFAOYSA-N 476.554 4.908 50 10 JJGE COCc1cc(Br)c([C@H](Br)c2c(Br)nc(C)n2C)s1 2337281297 OWVHWUYIELOKBA-SECBINFHSA-N 473.028 4.946 50 10 JJGE C[C@@H]1CC[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)[C@H](OCc2ccccc2)C1 2349646036 LMVMAXMUXKMOMQ-FPGHNAPASA-N 498.711 4.711 50 10 JJGE COCCNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Br)c3ccccc23)c1C 2810550 NQUKOWUICVKVNA-AQTBWJFISA-N 452.352 4.679 50 10 JJGE C/C(=N\NC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccccc1O 12491426 GYSFWYYMWBMBIT-FSJBWODESA-N 492.167 4.990 50 10 JJGE C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14038758 RGHGHAZJROWPEQ-HXUWFJFHSA-N 479.536 4.834 50 10 JJGE N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2C(F)(F)F)[C@@H]2CN(Cc3ccccc3)CC=C12 36020230 YNUFZUOVLAFMFA-GGAORHGYSA-N 459.475 4.631 50 10 JJGE Nc1c(NNC(=O)c2ccccc2Cl)ncnc1N(Cc1ccccc1)Cc1ccccc1 40709602 GKLIDJROQFGVOH-UHFFFAOYSA-N 458.953 4.676 50 10 JJGE Cc1c(C(=O)NC2CCCCC2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812874 GLUVBXQOMYMASP-NLRVBDNBSA-N 472.383 4.883 50 10 JJGE O=C(N/N=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc(Br)cc1 59155865 AOMLDLUCSWCKJC-LKUDQCMESA-N 468.738 4.783 50 10 JJGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)OCC)cc2OC)cc1 206270666 MQIKLADUUQNSMX-URBBLPHHSA-N 474.513 4.857 50 10 JJGE O=C(NCC1CCC(Br)CC1)c1ccc(I)c(Cl)c1 227781860 NOSXFFMNJYBOAB-UHFFFAOYSA-N 456.549 4.628 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccccc2)cc1 254630025 OLRXRRMOVZPJCP-UHFFFAOYSA-N 468.509 4.987 50 10 JJGE C[C@@H]1C[C@@H](CBr)CN(C(=O)c2cc(Br)c(Br)s2)C1 398704514 UVRNIFCVMXHQLD-SFYZADRCSA-N 460.029 4.766 50 10 JJGE Cc1ccccc1C(=O)NC(=S)[C@H](C#N)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 616444426 PDSDHUIPXJKBJU-MHZLTWQESA-O 479.565 4.939 50 10 JJGE COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)cc1 1084367525 SPLAIYNLISQDIN-UDWIEESQSA-N 458.470 4.527 50 10 JJGE CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 1084622003 MFTNSNPHXFWIFF-ZSOIEALJSA-N 460.284 4.700 50 10 JJGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1ccc(Cl)cc1 1084644942 VQSOPKQHWXFBOK-UHFFFAOYSA-N 460.553 4.703 50 10 JJGE C=C(C)Cn1c(SCC(=O)NNc2ccccc2Cc2ccccc2)nnc1-c1ccco1 1557374134 XUNVHEFOMBHSTF-UHFFFAOYSA-N 459.575 4.940 50 10 JJGE O=C(COc1ccc(-c2ccccc2)cc1Br)NN=Cc1ccccc1[N+](=O)[O-] 1772753901 CMVCIFVGHIEECC-UHFFFAOYSA-N 454.280 4.553 50 10 JJGE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)c1 1858685822 VFKSGUQRNJWGPG-HNNXBMFYSA-N 468.441 4.763 50 10 JJGE CC(C)(NC(=O)CCCC(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1866797586 KGFFUDOANFAMLG-UHFFFAOYSA-N 488.407 4.909 50 10 JJGE CCCC[C@H](NC(=O)C[C@H](c1ccccc1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867032146 VSLQIBPTAFGGNY-YADHBBJMSA-N 477.590 4.787 50 10 JJGE CN(CCOc1ccc(Br)cc1)C[C@@H](Br)COCc1ccccc1 1916367023 PQSFDVAOJORWFG-GOSISDBHSA-N 457.206 4.740 50 10 JJGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 1958928447 OPJMGRUFYNJSLU-DNVJHFABSA-N 480.468 4.986 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CN(C(=O)OC(C)(C)C)C2(CCCC2)C1 2010826290 ZNQXCVRIYILATP-KRWDZBQOSA-N 475.721 4.804 50 10 JJGE CC[C@H](C)[C@@H](CI)NC(=O)c1ccc(I)c(Cl)c1 2081235704 JDJSDUHFVBQIOU-QPUJVOFHSA-N 491.538 4.524 50 10 JJGE BrCCOC1CCN(Cc2c(Br)cccc2Br)CC1 2094099281 KHJBDEMGJLFGDH-UHFFFAOYSA-N 456.016 4.588 50 10 JJGE C[C@H](NC(=O)c1ccc(Br)cc1Br)[C@@H]1CCC[C@@H]1Br 2111558017 LXHJWAWDIBGICI-PEXQALLHSA-N 454.000 4.894 50 10 JJGE C[C@@]1(CCCl)CCN(C(=O)c2ccc(I)c(Br)c2)C1 2131901833 MMUCGIRPRGFFPW-CQSZACIVSA-N 456.549 4.535 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@H](Br)C(F)(F)CC1 2150020203 YTHJCXSIRKWGHG-JTQLQIEISA-N 475.953 4.846 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNCc1c(F)ccc(Br)c1F 2223387230 WMWDENYIALATBP-UHFFFAOYSA-N 457.406 4.723 50 10 JJGE Cc1ccc(I)c(C(=O)N(C)C[C@H](Br)C2CCCC2)c1 2240921357 BAOFTJCNNBCCEE-AWEZNQCLSA-N 450.158 4.625 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CBr)OCc1ccc(Br)cc1F 2243290864 QWDQGTMGJUESQV-INIZCTEOSA-N 455.162 4.783 50 10 JJGE C[C@]1(CNC(=O)c2csc(Br)c2Br)CCC[C@H]1Br 2258798519 JSCCLIAPBDGCHI-PRHODGIISA-N 460.029 4.957 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N(CCBr)C1CCCC1 2268359592 UHALCGBQIKGUSZ-UHFFFAOYSA-N 456.549 4.724 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CCCC[C@@H](Br)C1 2277925900 LMSZCQOPJMQMBR-LLVKDONJSA-N 454.000 4.530 50 10 JJGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(C)cc3)C2=O)cc1 2293039245 SHHHDWGMZPYKMV-HSZRJFAPSA-N 457.555 4.639 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1[C@H]2CC[C@H]1CC(Br)C2 2295307589 LRDHDWZMANKNMZ-KBPBESRZSA-N 466.011 4.671 50 10 JJGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 2314585499 AJFFADKKHPYPOB-CQSZACIVSA-N 470.407 4.879 50 10 JJGE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCCC(C)C)c(OC)c3)C(C)=C(C#N)C2=O)cc1 2314619793 FNBYNTTUYONYAR-UHFFFAOYSA-N 488.584 4.964 50 10 JJGE CC(F)(F)C[C@@H](CBr)NCc1ccc(I)c(Br)c1 2325229575 JQXPOANJAORPNQ-VIFPVBQESA-N 496.959 4.952 50 10 JJGE O=C(N[C@H]1CCC[C@@H](CBr)C1)c1ccc(Cl)cc1I 2340057293 LKKRSAJWENUBLK-KOLCDFICSA-N 456.549 4.628 50 10 JJGE C[C@@H]1CN(C(=O)c2ccc(Cl)cc2I)CC[C@@H]1CCBr 2365582914 XCHKTNFWEYEUQT-MNOVXSKESA-N 470.576 4.828 50 10 JJGE COc1ccc([C@@H](Br)C2CC(OC)(C(F)F)C2)cc1I 2368973630 YMTGHSSUTUFKKD-VTGPFMDVSA-N 461.084 4.796 50 10 JJGE Cc1ccc(Cl)cc1NC(=S)NNC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 20664021 BTOIYWNQFLJUTI-UHFFFAOYSA-N 461.975 4.568 50 10 JJGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1/C(=N/NC(=O)c1ccncc1)CCC2 40813970 GUJZEPMWNPQQFD-STBIYBPSSA-N 456.424 4.725 50 10 JJGE COc1cc(/C=N/NC(=O)COc2ccccc2-c2ccccc2)cc(Br)c1OC 40911976 FQAQAUNHKFNWPI-AFUMVMLFSA-N 469.335 4.662 50 10 JJGE COc1cc(/C=N/NC(=O)Nc2ccccc2Cl)ccc1OCc1cccc(C(=O)O)c1 59679307 MNZIULUVJZZTOH-DHRITJCHSA-N 453.882 4.781 50 10 JJGE Cc1nn(C)c(C[C@@H](CBr)c2ccc(Br)cc2)c1Br 118657690 VGAOXDOCQDVUPY-NSHDSACASA-N 451.000 4.975 50 10 JJGE CC(C)CNC(=O)c1cc2ccc(OC(=O)/C(C#N)=C\c3ccc(C(C)C)cc3)cc2oc1=O 206542828 QUCMMVYULBHQFT-NHDPSOOVSA-N 458.514 4.815 50 10 JJGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)C1=O 214352914 LCTIEDGJEJBOIJ-XHFXOGKZSA-N 476.536 4.641 50 10 JJGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)NCc1ccc(Cl)cc1 216947030 SFFFQMFXUMIAOY-DAFNUICNSA-N 471.004 4.771 50 10 JJGE CC(C)(CCBr)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 227935981 ARRRVLGRBWGQJV-UHFFFAOYSA-N 468.038 4.845 50 10 JJGE O=C(c1cc(I)ccc1Br)N(CCCl)C1CCCC1 236018841 GGGDXYHZKUMCKV-UHFFFAOYSA-N 456.549 4.677 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(O)c(Cl)c2)C1 382681128 BCMSYCLGZIJLAZ-HZPDHXFCSA-N 471.722 4.833 50 10 JJGE C[C@H](CCCBr)CNC(=O)c1cc(Br)ccc1I 384421502 ZOEOFKMSDJBULJ-SECBINFHSA-N 488.989 4.595 50 10 JJGE COc1cc(F)c(Br)cc1[C@@H](Br)c1nn(C)cc1Br 693124624 ZBRPHSRJHNDIOY-LLVKDONJSA-N 456.935 4.577 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)Oc2ccccc2OCC(F)(F)F)c(-c2ccccc2)n1 727641255 CNCCWJUOHXAYJC-AQTBWJFISA-N 466.419 4.917 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 1084554631 HFPCYNYFGHPMMP-OAQYLSRUSA-N 471.897 4.871 50 10 JJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc1 1865709654 ZFOSVTLPTUUKCG-XMMPIXPASA-N 492.535 4.612 50 10 JJGE C[C@H](Cc1ccc(F)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866836038 XDTITZRROSWGLU-HOYKHHGWSA-N 461.562 4.944 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c(OC)c1 1872755386 LARJJVGBTNIPCK-PJJVEECESA-N 489.553 4.941 50 10 JJGE Fc1c(F)c(F)c(-n2nc(CCl)c(I)c2C(F)(F)F)c(F)c1F 2079211971 GKVNTYAWCLLCPN-UHFFFAOYSA-N 476.492 4.930 50 10 JJGE CC[C@H](C[C@H](C)Br)NC(=O)c1ccc(Br)cc1I 2086154054 QDPRNEICOCIYKS-WCBMZHEXSA-N 488.989 4.736 50 10 JJGE O=C(NC[C@@H]1CCCC[C@H]1Br)c1cccc(Br)c1Br 2092339667 GYWWTLNBRHWVCY-GXSJLCMTSA-N 454.000 4.895 50 10 JJGE C[C@H]1CC[C@@H](CCl)N(C(=O)c2cc(Br)ccc2I)C1 2110618624 YGZXPUXAYFTLRY-ONGXEEELSA-N 456.549 4.533 50 10 JJGE F[C@@]12CCC[C@]1(CBr)CN(c1ncc(Br)cc1Br)C2 2120119565 IPQSHUSWSLABSE-QWHCGFSZSA-N 456.979 4.700 50 10 JJGE O=C(NC[C@H]1CCCC[C@@H](Cl)C1)c1cc(Br)ccc1I 2163754191 QEEDWWRQSHCLCV-CMPLNLGQSA-N 470.576 4.971 50 10 JJGE C[C@@]12CC[C@@](CBr)(C1)N(C(=O)c1ccc(Br)cc1Br)C2 2199516434 NIRLGGJCEJONSV-CABCVRRESA-N 466.011 4.991 50 10 JJGE Cc1ccc(I)c(C(=O)NC[C@H]2CCC[C@@H](CBr)C2)c1 2240910299 BDRIXFZHQRANKB-OLZOCXBDSA-N 450.158 4.531 50 10 JJGE Cc1ccc(I)c(C(=O)NC[C@H]2CCC[C@H](CBr)C2)c1 2240910303 BDRIXFZHQRANKB-STQMWFEESA-N 450.158 4.531 50 10 JJGE COc1ccc([C@H](Br)c2c(F)cccc2OC)cc1I 2284997512 GTZJMLATZTYXJA-HNNXBMFYSA-N 451.073 4.932 50 10 JJGE C[C@H](Br)CN(CCC(C)(C)C)C(=O)c1ccccc1I 2288076791 VZWLNGNAIMYKKI-LBPRGKRZSA-N 452.174 4.953 50 10 JJGE O=C(CCCCCN1C(=O)C(=Cc2cccs2)SC1=S)NNC(=O)c1ccc(Cl)cc1 2297554683 RNMRKMAINSUOEU-UHFFFAOYSA-N 494.063 4.624 50 10 JJGE O=C(NN=Cc1cc(Br)cc(Br)c1O)NC12CC3CC(CC(C3)C1)C2 2297623089 KIRDIZZQSMTQNQ-UHFFFAOYSA-N 471.193 4.519 50 10 JJGE CCCN(CC1CCN(C(=O)OC(C)(C)C)CC1)CC(C)(C)CI 2306810866 XWRZHCGWWNDDAD-UHFFFAOYSA-N 452.421 4.807 50 10 JJGE CC(=NNC(=O)c1ccc(-c2ccc(C)c(C)c2)nc1C)c1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 2321270312 ZFPYHNXNNGPNCR-LJQANCHMSA-N 456.546 4.572 50 10 JJGE CCOc1ccc(NC(=O)C(C#N)=CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2325298941 JSYKPSZJBYTDSL-UHFFFAOYSA-N 466.585 4.838 50 10 JJGE CCc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CCCOC)C4=O)n2)cc1 2331245554 XCPDASYCCOOQRV-UHFFFAOYSA-N 473.554 4.955 50 10 JJGE C[C@H]1Cc2cc([C@H](Br)c3c(Br)ncn3C)cc(Br)c2O1 2362494067 MDXDXIBJIBGOJL-CPCISQLKSA-N 464.983 4.753 50 10 JJGE O=C(NNC(=O)c1ccccc1OCc1ccccc1)c1cccc(OCCc2ccccc2)c1 10331864 MGDMFTJMMVWKJA-UHFFFAOYSA-N 466.537 4.962 50 10 JJGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)c1ccccc1OCc1ccccc1 14643413 MYYLKGKXXRBYAP-SFHVURJKSA-N 497.389 4.873 50 10 JJGE COc1cccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)c1O 19849060 BOUAUWGKWSCEPM-ZMFRSBBQSA-N 480.977 4.695 50 10 JJGE CCCCN(CCBr)C(=O)c1cc(I)ccc1Br 232951568 VPEKYYHUZSIEQP-UHFFFAOYSA-N 488.989 4.691 50 10 JJGE CCN(CC)c1ccc(C=NNC(=O)CCCCC(=O)NN=Cc2ccc(N(CC)CC)cc2)cc1 254871882 FVIMVCKPDSVXNW-UHFFFAOYSA-N 492.668 4.540 50 10 JJGE CC1=C(C(=O)NN=Cc2ccc(Cl)cc2Cl)[C@@H](c2ccccc2Cl)NC(=S)N1 1084438796 CDRTUDSUYPHYRN-QGZVFWFLSA-N 453.782 4.590 50 10 JJGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1ccccc1Cl 1865694499 YOVDNJRUNHBLGO-JOCHJYFZSA-N 464.953 4.909 50 10 JJGE CCCc1nn(CC)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865704927 IIQVSHHONDMFFU-QHCPKHFHSA-N 458.562 4.970 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 1865705702 CSBGILHZNFNUDR-INIZCTEOSA-N 475.814 4.730 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 1865706169 PGXQTNBJRQSUFD-QFIPXVFZSA-N 467.460 4.864 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865707626 BMLYBVWBDOHTQF-HSZRJFAPSA-N 468.488 4.670 50 10 JJGE N#CSc1ccc(Nc2cc(N3CCN(c4ccccc4)C(=O)C3)nc(-c3cccnc3)n2)cc1 1868566152 VCJFHSOMFGLHRB-UHFFFAOYSA-N 479.569 4.709 50 10 JJGE CCc1nn(C)c([C@@H](Br)Cc2ncccc2Br)c1Br 1877175072 KRXCCKRIUKEENZ-VIFPVBQESA-N 451.988 4.581 50 10 JJGE CC[C@H](C)[C@@H](CI)NC(=O)c1cc(Br)c(Cl)s1 2023036005 RXJQCXDDNOPYQR-POYBYMJQSA-N 450.567 4.744 50 10 JJGE CCCN(CCCBr)C(=O)c1ccc(I)c(Br)c1 2032095465 HCAGYHBUNBWDAQ-UHFFFAOYSA-N 488.989 4.691 50 10 JJGE C=CCN1C(c2ccc(F)cc2)=CSC1=C(C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 2040464239 GHUVDEMKSSFCHX-UHFFFAOYSA-N 486.576 4.669 50 10 JJGE CC1(C)[C@H]2CC[C@@H](C2)[C@]1(CI)OCCOCCOCc1ccccc1 2056733781 LRJMRXDVXNMQJZ-ZJOUEHCJSA-N 458.380 4.866 50 10 JJGE C[C@H](Br)[C@@H](NCc1ccc(I)c(Cl)c1)C(F)(F)F 2086655334 NBSNEVZCOBDZTF-QUBYGPBYSA-N 456.471 4.749 50 10 JJGE CC[C@H](Br)CN(C(=O)c1cc(Br)cc(Br)c1)C1CC1 2107408030 UEWRJFSRNGSGFW-JTQLQIEISA-N 454.000 4.990 50 10 JJGE BrCc1ccc(N2CC[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)c(Br)c1 2129051261 GGMULXKBTGQRSU-SFTDATJTSA-N 480.244 4.824 50 10 JJGE COc1cc(Br)ccc1C(=O)N[C@@H](C)CCCCCI 2174526640 LLHHPBPBUHVUKD-NSHDSACASA-N 454.146 4.571 50 10 JJGE C[C@@H](Br)CN1CCCN(Cc2ccc(Br)cc2Br)CC1 2176829045 UWYMWWMEIVCTHO-GFCCVEGCSA-N 469.059 4.503 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CC2(CCC(Cl)CC2)C1 2181084770 BMANZSGLAUZIJU-UHFFFAOYSA-N 468.560 4.677 50 10 JJGE O=C(NC[C@@]12CCC[C@]1(CBr)C2)c1ccc(I)c(Cl)c1 2208039161 JGFABWCODKSDCB-CABCVRRESA-N 468.560 4.630 50 10 JJGE C[C@@H](Br)[C@H]1CCCCN1C(=O)c1ccc(Cl)c(I)c1 2268352263 ZGCHUVFXEYTTRP-NOZJJQNGSA-N 456.549 4.723 50 10 JJGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)cc1 2296719348 GEBTXFQSXLMAOZ-UHFFFAOYSA-N 471.538 4.750 50 10 JJGE C[C@H]1CCN(Cc2ccc(I)c(Br)c2)C[C@H]1Br 2306220120 UCYXOUJOKUSEEO-JOYOIKCWSA-N 472.990 4.659 50 10 JJGE CC(C)N(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)CC(C)(C)CI 2306817520 ABFMLHQEEDNNBT-INIZCTEOSA-N 452.421 4.948 50 10 JJGE COc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 2313541002 JGEVHLBALUGSMV-UHFFFAOYSA-N 450.472 4.744 50 10 JJGE Cn1cc(I)c(C[C@H](CBr)Cc2ccccc2Br)n1 2341763101 QJPHCXMTWAIPGJ-SNVBAGLBSA-N 498.000 4.584 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2365597512 HLPUVMQBOXZZGE-CHIMOYNISA-N 468.560 4.723 50 10 JJGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(C)c(Br)c1 14033062 SEXUTASUIIUXIS-UHFFFAOYSA-N 492.439 4.666 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)n2)cc1 17025682 BRJWYXPVVLGCCQ-GHRIWEEISA-N 493.570 4.893 50 10 JJGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)N1CCOCC1 33383234 HRPKIASLLTUMKF-PLRJNAJWSA-N 490.563 4.884 50 10 JJGE CCC/C(=N/NC(=O)COc1ccc(Br)cc1Br)c1ccccc1 34954091 OZBWQKKKGVQPKR-PGMHBOJBSA-N 454.162 4.911 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1ccc(Br)cc1 38651646 MBABGCGHDCBCRJ-NRFANRHFSA-N 492.285 4.795 50 10 JJGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1 39992858 ZBTNHEFNHNROLP-XDJHFCHBSA-N 466.497 4.658 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccccc1OCC 40926164 KRPRLYOJAGPWAM-XMHGGMMESA-N 460.486 4.520 50 10 JJGE O=S1(=O)CCCC[C@@H]1[C@H](Br)c1cc(Br)sc1Br 169049165 KITHYENZSDYDAS-VXNVDRBHSA-N 467.042 4.676 50 10 JJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@H](CC)C2 209406969 AUQUUHOKBPYENI-HNDQUVLASA-N 453.520 4.894 50 10 JJGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)N1CCC(Cc2ccccc2)CC1 216876931 FBHWICVKWPYSBR-SILNSSARSA-N 485.369 4.900 50 10 JJGE Cc1ccc(CN2CCN(CC(=O)NN=Cc3c4ccccc4cc4ccccc34)CC2)cc1 254706891 GPFONNHNBNEEIP-UHFFFAOYSA-N 450.586 4.569 50 10 JJGE COc1ccc(-c2ccc(C=NNC(=O)c3cccc(I)c3)o2)cc1Cl 254758941 KIFVJSNIKTUDMF-UHFFFAOYSA-N 480.689 4.977 50 10 JJGE CC1(C)C[C@H](NC(=O)c2cc(Br)ccc2I)C[C@H](Cl)C1 693874755 HGKNFBOGGQTFJB-WDEREUQCSA-N 470.576 4.970 50 10 JJGE O=C(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1ccc(CBr)cc1 705867710 VIBPTBGJXQFOOS-UHFFFAOYSA-N 479.418 4.783 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)OCc2nnc(-c3ccccc3)o2)c(-c2ccc(Cl)cc2)n1 782090038 GXLHDPRDVHQHBG-UYRXBGFRSA-N 484.903 4.818 50 10 JJGE COCc1cc(C)nc(OCC(=O)NN=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1C#N 1084388640 KWTLKMHVVMCCFN-UHFFFAOYSA-N 473.316 4.504 50 10 JJGE COc1ccc(-c2ccc(C(=O)N/N=C(/C)c3ccc(Br)cc3)c(C)n2)cc1OC 1865763564 RKSVXQRIGLPXAC-WGARJPEWSA-N 468.351 4.991 50 10 JJGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)CC1=O 1872753141 IPWNQXVUUJHLHP-LIDWSNAKSA-N 484.537 4.924 50 10 JJGE C[C@H](Br)[C@H](NC(=O)c1cc(Br)ccc1Br)C(F)(F)F 1882654017 ZNJBGSFSZHZFSL-CDUCUWFYSA-N 467.905 4.656 50 10 JJGE C[C@@H](Br)C1CCN(C(=O)c2cccc(Br)c2Br)CC1 2092341239 ZETZVMGMBMCPKN-SECBINFHSA-N 454.000 4.847 50 10 JJGE O=C(c1c(Br)cccc1Br)N(CCBr)C1CCCC1 2094089366 WAFMXBPSIYZOIM-UHFFFAOYSA-N 454.000 4.991 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@@H](Br)CC12CC2 2113561580 MIZQRHXFONKANB-SNVBAGLBSA-N 451.984 4.744 50 10 JJGE CC(C)[C@@H](Br)c1cn(Cc2ccc(I)c(Cl)c2)nn1 2142958778 SDUUANXXJGWQIP-CYBMUJFWSA-N 454.537 4.676 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@H]2CCC[C@@]2(CBr)C1 2159403694 DDUAMYXAVJTDFD-MEBBXXQBSA-N 466.011 4.849 50 10 JJGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)ccc1Cl 2179787999 WNAJZOWFRRMAKF-GOSISDBHSA-N 471.848 4.520 50 10 JJGE COc1ccc([C@H](Br)c2c(Br)nn(C)c2C)cc1I 2269534744 QYLASAARUMGBMR-LBPRGKRZSA-N 499.972 4.589 50 10 JJGE CCOC(=O)COc1ccc(C=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1OC 2296834435 MUVCEFAVVNPEHZ-UHFFFAOYSA-N 488.521 4.931 50 10 JJGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cccc3ccccc23)c(OC)c1 2297451121 PNHJPOXCRFCKDT-UHFFFAOYSA-N 479.536 4.778 50 10 JJGE Cc1cc(C(=O)N[C@H](CCBr)COCc2ccccc2)ccc1Br 2303537383 FNZKSNWQGKFWJX-QGZVFWFLSA-N 455.190 4.858 50 10 JJGE O=C(N[C@H](CCBr)COCc1ccccc1)c1c(F)cccc1Br 2303545958 ZKSVCCRBWHBJCH-CQSZACIVSA-N 459.153 4.688 50 10 JJGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C)c(C)c1 2314593429 MVKRGFOGYZRWNO-OAQYLSRUSA-N 496.430 4.794 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC)C(=O)C(C#N)=C2C)cc1 2314617652 NOMDKPWLYIIGQP-UHFFFAOYSA-N 466.541 4.940 50 10 JJGE FC(F)(CBr)C(F)(F)CNCc1ccc(I)c(Cl)c1 2336526455 FWCMKKNIHFIIDC-UHFFFAOYSA-N 474.461 4.700 50 10 JJGE CC(C)C[C@H](CBr)CN=[S@](=O)(C(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2353823831 GMEAVWDRNURGTN-VDYXTEHCSA-N 453.487 4.929 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)ccc1OC(=O)c1cccs1 8557884 OBMGVWQNYSXAPQ-OAQYLSRUSA-N 484.537 4.893 50 10 JJGE Cc1ccc(O[C@H](C)C(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)cc1C 10153223 ZHWKDWDKHYTDQH-QGZVFWFLSA-N 477.399 4.719 50 10 JJGE C=CCOc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)cc1 14650795 OWUYPUSVJROLKW-UHFFFAOYSA-N 461.356 4.514 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)ccc2OC)cc1 38659780 GURVTXGDUMJUCI-VWLOTQADSA-N 472.497 4.540 50 10 JJGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)c1 38684923 YSETVENEJIYNLJ-IVCQMTBJSA-N 474.488 4.815 50 10 JJGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)N3c4ccccc4C[C@@H]3C)c(C)c21 40813152 QBMNHGSFUWKYTD-PFOGTBOLSA-N 457.530 4.658 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(C)cc1 40889992 SIXHNTKTPJIRSH-RCCKNPSSSA-N 474.513 4.585 50 10 JJGE CCn1c(SCCCC(=O)N/N=C/c2cc(Br)ccc2OC)nc2ccccc21 58990329 YUBHUACMDFCRPM-OEAKJJBVSA-N 475.412 4.850 50 10 JJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cccc([N+](=O)[O-])c2)sc2c1CC[C@H](CC)C2 209406898 MZTXCUQDOGTJBY-FBKCMUNRSA-N 453.520 4.894 50 10 JJGE O=C(NN=Cc1ccc(Cl)cc1Cl)c1nc[nH]c1C(=O)NN=Cc1ccc(Cl)cc1Cl 254289968 GTCXSQJGFGJGCY-UHFFFAOYSA-N 498.157 4.551 50 10 JJGE CC(=NNC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1)c1ccc2ccccc2c1O 254382563 DOTKYLKOGUCOSW-KDURUIRLSA-N 473.573 4.868 50 10 JJGE CC(=O)Oc1ccc(C(C)=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 254871733 IDRIPQHUGSWXGU-UHFFFAOYSA-N 499.596 4.801 50 10 JJGE Cc1cccc(C(=O)N[C@]2(CBr)CCC[C@@H](C)C2)c1I 300472776 ROUJBOPEACCURA-BDJLRTHQSA-N 450.158 4.673 50 10 JJGE BrCc1ccc(Br)cc1N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 404217514 ZVOUDWTXGJEZQD-LEWJYISDSA-N 480.244 4.824 50 10 JJGE CN(C[C@H]1CCC[C@@H]1Br)C(=O)c1cc(Br)sc1Br 689296784 BIQHNTRSPNZDNE-APPZFPTMSA-N 460.029 4.909 50 10 JJGE O=C([C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCN(C2CCC2)CC1 725238231 FMTOALHTHKKHMH-OAQYLSRUSA-N 499.986 4.777 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)N(C)C2CCN(C(=O)c3ccccc3)CC2)c(C)n1-c1ccc(F)cc1 727344523 DWLDKZAYVFUWKA-HKOYGPOVSA-N 484.575 4.903 50 10 JJGE CCOc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)cc1OCC 1614620814 HKYJUBKDQAGSIS-CVEARBPZSA-N 475.367 4.870 50 10 JJGE C=CCc1cc(CNC(=O)NNc2ccc(Cl)cc2Br)cc(OC)c1OC 1677641117 KTSBDXJUJKTSBR-UHFFFAOYSA-N 454.752 4.675 50 10 JJGE N#C/C(=C\c1cccc(Cl)c1)C(=O)NC[C@H](c1ccccc1)S(=O)(=O)c1ccccc1 1866129998 VUQZVMRJZZMGKK-POEBIKTISA-N 450.947 4.578 50 10 JJGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCN2C(=O)c3ccccc3C2=O)n1 1872758683 LNFBJXZXCPQPJL-ZPHPHTNESA-N 465.918 4.951 50 10 JJGE C[C@H](Br)C[C@@H]1COCCN1Cc1cc(Br)ccc1Br 2128882127 WEWOSJJKPMKFJU-GXFFZTMASA-N 456.016 4.586 50 10 JJGE C=CC[C@](C)(CCl)CNC(=O)c1cc(I)ccc1Br 2137198623 HGZVIVBJEFUDPB-CQSZACIVSA-N 456.549 4.605 50 10 JJGE COc1cc(F)c([C@@H](Br)c2nn(C)cc2Br)cc1Br 2138160758 NKVIWJAUOBRYMW-LLVKDONJSA-N 456.935 4.577 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC2(CC[C@H]1CBr)CC2 2154159971 BTHVDNBPMXIOGT-JTQLQIEISA-N 466.011 4.991 50 10 JJGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3cn(C)nc3Br)c2O1 2173183898 SHGBKJQSTVGDKA-JVXZTZIISA-N 464.983 4.753 50 10 JJGE Clc1c(Br)ccc(CBr)c1-n1cnc2c(Br)ncnc21 2175916841 PQUNOMISDKCHGJ-UHFFFAOYSA-N 481.373 4.889 50 10 JJGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cnn(CCCBr)c1 2179790234 ASVTUGPLZBKDSQ-MRXNPFEDSA-N 468.442 4.682 50 10 JJGE O=C(NC[C@@]12CCC[C@]1(CCl)C2)c1cc(Br)ccc1I 2208039921 NZPWCAXDTBLWLC-CABCVRRESA-N 468.560 4.583 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CN(CC2(CBr)CC(F)C2)CC[C@@H]1C(F)(F)F 2280358766 HDOQKPVHQBGTQC-ZBUZPQQSSA-N 461.338 4.525 50 10 JJGE O=C(N[C@@H](CCBr)C1CCCC1)c1c(F)cccc1I 2282812159 SNUUEJFRILCGEA-ZDUSSCGKSA-N 454.121 4.504 50 10 JJGE C[C@@H]1CO[C@](CBr)(Cc2ccc(I)c(Br)c2)C1 2306226914 KMCWJNMDLNSUDY-ZANVPECISA-N 473.974 4.786 50 10 JJGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCc1ccc(F)cc1C1CC1 2317103158 HVBFTWDKFJAVSW-LJQANCHMSA-N 463.331 4.938 50 10 JJGE CCOc1ccc(C=CC(=O)NNC(=O)c2ccc(-c3ccc(C)c(C)c3)nc2C)cc1OC 2321103605 CYNRROOBICRLPP-UHFFFAOYSA-N 459.546 4.556 50 10 JJGE COc1ccc(C=CC(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1OC 2321176152 FTKSQMGPYSRTOV-UHFFFAOYSA-N 486.355 4.855 50 10 JJGE BrC[C@@]1(Cc2ccc(I)c(Br)c2)C[C@@]12CCOC2 2325236836 LHCJKQKMIWGGLV-ZIAGYGMSSA-N 485.985 4.788 50 10 JJGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccccc1OCc1ccc(Cl)cc1 2328833150 MQMRVFIBGPSUSJ-NRFANRHFSA-N 459.974 4.918 50 10 JJGE COC1CC2(C1)CC(O[C@H](CI)c1ccccc1Br)C2 2361337108 UZXALRJQUSKQHX-XATBXUDESA-N 451.142 4.899 50 10 JJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)Cc2cccc3ccccc23)cc1 14029166 BZWRHPPUAVIMLE-UHFFFAOYSA-N 463.603 4.677 50 10 JJGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1Cl 14648336 HRUGSGZPXBYLKN-UHFFFAOYSA-N 483.790 4.902 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCOC)cc1 14662655 JYFGCUQJJUACDC-UHFFFAOYSA-N 493.398 4.508 50 10 JJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(C)c(Br)c2)c(Br)c1 14832300 IYKZUHJEDKZQQH-GFCCVEGCSA-N 498.215 4.874 50 10 JJGE Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(N(C)C)cc3)n2-c2ccccc2)cc1 33089363 OPKZGXCDRPCFEF-PKAZHMFMSA-N 470.602 4.551 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2OC)cc1 38658813 RQSHGAVQEDQBDE-XMMPIXPASA-N 472.497 4.540 50 10 JJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)c1 38659927 UJGXLPPYLBXMEQ-HSZRJFAPSA-N 462.889 4.795 50 10 JJGE COc1c(Br)cc(C2C(C#N)=C(C)NC(C)=C2C#N)c(OC)c1Br 48534034 OJHQVOKZONXLMG-UHFFFAOYSA-N 453.134 4.511 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H](Br)C1)c1cc(Br)sc1Br 227759341 SCJLAALYINXGRK-HTQZYQBOSA-N 460.029 4.957 50 10 JJGE C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)NNC(=O)c2ccc(F)cc2)nnc1-c1cccs1 251642780 SFJXAIUPZZOVFB-RIVXBTQJSA-N 499.637 4.696 50 10 JJGE COCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N(C1CCCCC1)C1CCCCC1 253560279 APSHPOOLTFLRRM-OVVQPSECSA-N 451.615 4.749 50 10 JJGE CCCO[C@@H]1[C@H](Br)C[C@H]1Oc1cc(Br)c(OC)cc1Br 300470687 JRRJMNRYLWLTTG-LERXQTSPSA-N 472.999 4.930 50 10 JJGE CC1(C)CN(C(=O)c2cc(I)ccc2Br)CC[C@H]1Cl 388774594 IZNLVJNCHGJWQX-GFCCVEGCSA-N 456.549 4.533 50 10 JJGE CCOC(=O)c1c(C)oc2cc(I)c(OCCCBr)cc12 575602062 FEVLGTTUSYBHER-UHFFFAOYSA-N 467.097 4.686 50 10 JJGE O=C(NN=Cc1ccccc1[N+](=O)[O-])c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 1084584031 QAPVSAXLBBUGBL-UHFFFAOYSA-N 456.546 4.813 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)[C@H](C)SCc2ccccc2)cc1 1084596562 CJIGXSXSJILWOA-IBGZPJMESA-N 468.600 4.535 50 10 JJGE CC(C)(C)OC(=O)N[C@@H]1Cc2cc(F)ccc2C1=NNC(=O)Nc1ccc(OC(F)(F)F)cc1 1088739675 KMDFWDZUNQTTLS-QGZVFWFLSA-N 482.434 4.700 50 10 JJGE CC(=O)N(Cc1ccc(NC(=O)NNc2cc(Cl)ccc2Br)cc1)C1CC1 1465679223 QZKWUDPPMMLRPD-UHFFFAOYSA-N 451.752 4.762 50 10 JJGE CC(=O)c1cccc(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1 1556750357 HZVJEKMBIOFYLF-BKUYFWCQSA-N 457.921 4.543 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1 1865692587 DBBURTPGYUPHGB-GOSISDBHSA-N 458.415 4.706 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1OC 1865694914 FNQWXDMQTQZBKZ-FQEVSTJZSA-N 484.478 4.884 50 10 JJGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696635 PAGRNHCUSHFION-LJQANCHMSA-N 451.324 4.511 50 10 JJGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711455 YYOYNORYEPMNTR-QFIPXVFZSA-N 480.952 4.722 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1 1865713013 OKZXMNLIUCJMFC-QGZVFWFLSA-N 460.843 4.830 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2[C@@H](Br)CC[C@H]2C1 2027643589 UNOKTJUJIDOEPY-RNJXMRFFSA-N 458.013 4.519 50 10 JJGE COc1cccc(Cn2nc(CBr)c(I)c2C(F)(F)F)c1C 2079251456 SPKQZDIUOUOEBK-UHFFFAOYSA-N 489.073 4.767 50 10 JJGE ClCCc1nc2cc(I)ccc2n1[C@@]12C[C@@H]1CN(Cc1ccccc1)C2 2099679416 QNMIRXUZWHYUOE-IIBYNOLFSA-N 477.777 4.653 50 10 JJGE CC1(C)[C@@H](NC(=O)c2ccc(I)c(Cl)c2)CC[C@H]1Br 2142133613 HJKXHHDBYBEGGP-NEPJUHHUSA-N 456.549 4.627 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CCC[C@H](CCCl)CC1 2149745183 YQCFGEIGBBYJPG-LLVKDONJSA-N 470.576 4.925 50 10 JJGE CN(C(=O)c1ccc(I)c(Cl)c1)C1(CBr)CC(C)(C)C1 2164568831 VZSMTQLRRMHNRM-UHFFFAOYSA-N 470.576 4.970 50 10 JJGE Cc1nn(C)c([C@@H](Br)c2cc3c(cc2Br)OCC3)c1Br 2192374982 OBUAFWZLZWXTQM-ZDUSSCGKSA-N 464.983 4.673 50 10 JJGE Cc1ccc(C(=O)NCC2(CBr)CCCCC2)cc1I 2232826816 LRNVUNSQFZVBMG-UHFFFAOYSA-N 450.158 4.675 50 10 JJGE Cc1ccc(I)c(C(=O)N2CC[C@H](Br)[C@@H]2C(C)(C)C)c1 2240902344 YYWZVVHESTUSNO-GXTWGEPZSA-N 450.158 4.624 50 10 JJGE O=C(N[C@H](CBr)c1ccsc1)c1ccc(Cl)c(I)c1 2268357711 KIGPOPMXIVDNCG-GFCCVEGCSA-N 470.557 4.872 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(C)cc1 2295672633 FIHSNDGORWKUMU-UHFFFAOYSA-N 470.525 4.925 50 10 JJGE COCCn1c(C)cc(C=C(C#N)C(=O)OCc2csc(-c3ccccc3OC)n2)c1C 2297335809 DKRIKLCWGYWBMD-UHFFFAOYSA-N 451.548 4.534 50 10 JJGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1Br 2314579668 ZQMUNBNEKOLKGS-AWEZNQCLSA-N 481.306 4.623 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)cc(C)c1 2314754948 JTEDRXARAYQMGS-UHFFFAOYSA-N 474.513 4.503 50 10 JJGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)CC1=O 2331320604 KHLFSNOQLQBFGU-INIZCTEOSA-N 477.517 4.890 50 10 JJGE CC(C)[C@@H]1C[C@H](Br)CN1c1ncc(C(F)(F)F)cc1I 2370877549 QKWAOQAOLJWLLG-ONGXEEELSA-N 463.079 4.703 50 10 JJGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccccc3)c(Oc3ccc(Cl)cc3)nc12 33365894 FHUSGEPSRGPTIY-ZHZULCJRSA-N 477.929 4.787 50 10 JJGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1cc(Cl)cc(Cl)c1 40701098 DKNBRTUYBCJCGS-UHFFFAOYSA-N 488.162 4.938 50 10 JJGE CN1C(=C(C#N)C(=O)CCC(=O)Nc2ccccc2OCCc2ccccc2)N(C)c2ccccc21 108777720 PXRQEJUMBCRORH-UHFFFAOYSA-N 480.568 4.917 50 10 JJGE O=S(=O)(N[C@@H]1CCCCC[C@@H]1Br)c1cc(Br)ccc1Br 136209942 DHZNNUWVRWSPPV-CMPLNLGQSA-N 490.055 4.586 50 10 JJGE CC(C)COc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc(N3CCCCC3)n2)c1 169927472 HCYVGFJPGLVEIO-MTDXEUNCSA-N 457.578 4.933 50 10 JJGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)ccc2OC)cc1 205649690 AKQOKYHCAHKFML-YJJVZWIUSA-N 484.508 4.549 50 10 JJGE COc1ccc(/C=C\C(=O)NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1OC 206211082 XORDSTUSLRGYIP-DHDCSXOGSA-N 468.594 4.657 50 10 JJGE CCOc1cc(/C=C(\C#N)c2nnc(-c3ccccc3)n2C)ccc1OCC(=O)Nc1ccccc1 210708236 RZSOIJRAADXCFA-CJLVFECKSA-N 479.540 4.962 50 10 JJGE CC(CBr)(CBr)NC(=O)c1cc(Br)sc1Br 232761537 PDZHLGANDIMKPN-UHFFFAOYSA-N 498.860 4.551 50 10 JJGE CC(C)[C@@H](NC(=O)COc1ccc2ccccc2c1)C(=O)NN=Cc1ccc(C(C)(C)C)cc1 252627942 SEQRKWRFGOQOGQ-AREMUKBSSA-N 459.590 4.807 50 10 JJGE CCCCN(C)C(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 256020078 WDWDBZKBKCDCTO-WKPIXPDZSA-N 474.075 4.931 50 10 JJGE Fc1ccc([C@H](Br)c2cc(I)cc3c2OCC3)cc1F 312328786 IQBGNKVZVNNDNM-AWEZNQCLSA-N 451.048 4.989 50 10 JJGE O=C(NC[C@H]1CCC[C@H](CCl)C1)c1cc(I)ccc1Br 312507909 RQGNGCUFJNZGEI-QWRGUYRKSA-N 470.576 4.829 50 10 JJGE BrCC(CBr)(Cc1cncc(Br)c1)C1CCOCC1 696854301 RTTJBVBVEGQXRH-UHFFFAOYSA-N 456.016 4.589 50 10 JJGE NNC(=O)c1cc(Br)cc(Br)c1OCc1c(Cl)cccc1Cl 953077413 FSCKZUNRQHNQQM-UHFFFAOYSA-N 468.960 4.701 50 10 JJGE CC(=O)N(Cc1ccc(NC(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1)C1CC1 1623117499 RJHMYCIRYDRUTQ-UHFFFAOYSA-N 456.955 4.532 50 10 JJGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772745125 RKHKKZJROPZDRB-HNNXBMFYSA-N 475.520 4.885 50 10 JJGE Cc1ccc(O)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)c1 1865687325 ONUNNENUCZAZKK-QGZVFWFLSA-N 460.843 4.836 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1865700043 JPCOUYOGXDRWFG-QFIPXVFZSA-N 469.932 4.874 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccccc1[N+](=O)[O-] 1865709942 KSEATGUAGKUJLL-INIZCTEOSA-N 493.804 4.869 50 10 JJGE C[C@H]1CC[C@@](CCl)(NC(=O)c2cc(Br)ccc2I)C1 1880880879 CNTCFLJMOAGSTI-LKFCYVNXSA-N 456.549 4.581 50 10 JJGE COc1cc(C)c([C@H](Br)c2cn(C)nc2Br)cc1Br 1901630566 PDTOEGDXQRYYJE-LBPRGKRZSA-N 452.972 4.746 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@@H]2CCCCC2(F)F)CC1 2020372832 QBUGUYGOGVPXQR-CYBMUJFWSA-N 459.315 4.786 50 10 JJGE C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 2023578569 ABFHKFBOVHMPRQ-KZNAEPCWSA-N 477.737 4.954 50 10 JJGE Fc1ccc(CO[C@@H](CCl)[C@@H](I)CCl)c(Br)c1 2025679445 VTLIOWDBKFXKOG-QWRGUYRKSA-N 455.920 4.755 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@@H](Br)C2(CCC2)C1 2046395499 XXNDRAJKBLONRD-MRVPVSSYSA-N 458.013 4.663 50 10 JJGE CC[C@@H](C)[C@@H](CBr)NC(=O)c1cc(Br)ccc1I 2081239552 UGCXBNNOAOAFKQ-PRHODGIISA-N 488.989 4.593 50 10 JJGE Cc1c(Br)sc([C@H](Br)[C@H]2CCn3ncnc3C2)c1Br 2108969162 LXNSIYXEHXSQQV-OIBJUYFYSA-N 470.028 4.872 50 10 JJGE FC(F)(CBr)[C@@H]1CCN(Cc2ccc(I)c(Cl)c2)C1 2142946166 ZFYICASFSIQXCB-SNVBAGLBSA-N 464.519 4.797 50 10 JJGE O=S(=O)(N[C@H]1CCCC[C@@H]1CCBr)c1cc(Cl)c(Br)s1 2146733094 DJBQSVBWMCFOJU-SCZZXKLOSA-N 465.660 4.786 50 10 JJGE O=C(NC[C@@]1(CCl)CC12CCC2)c1ccc(I)c(Br)c1 2154200264 GTTVCTWLGJOHJB-HNNXBMFYSA-N 468.560 4.583 50 10 JJGE CC(C)(C)OC(=O)NCC[S@](=O)(=NCC1(CBr)CCCC1)c1ccccc1 2163659237 MBOSIVYVGCZXQZ-HHHXNRCGSA-N 459.450 4.994 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](Cl)C2(CCCC2)C1 2174378264 CDHUWLXJQQSOEK-ZDUSSCGKSA-N 468.560 4.677 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@H](CBr)C12CCC2 2190364228 VWBFHECUPYPNIT-LLVKDONJSA-N 468.560 4.724 50 10 JJGE Brc1ccc([C@H](CI)O[C@@H]2CCN3CCC[C@H]3C2)cc1 2199475298 NWGFEUSTPIZEFI-XHSDSOJGSA-N 450.158 4.569 50 10 JJGE CC1(C)CN(C(=O)c2cc(Br)ccc2I)C[C@H]1CCCl 2238466995 AFZCVGLOQQYTRK-SNVBAGLBSA-N 470.576 4.781 50 10 JJGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)CN1C(=O)c2ccccc2C1=O 2293175908 GCVCYTGUSTXRDO-UHFFFAOYSA-N 472.884 4.614 50 10 JJGE COc1ccc(C=CC(=O)Oc2ccc(C=NNC(=O)c3ccccc3-n3cccc3)cc2)cc1 2295170719 LBKUBXVLFAQKCO-UHFFFAOYSA-N 465.509 4.869 50 10 JJGE BrC[C@@H]1Cc2ccccc2CN1c1ncc(Br)cc1Br 2296337921 AYYKXDKBWZVNBI-ZDUSSCGKSA-N 460.995 4.933 50 10 JJGE C[C@@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)CC1=O 2331335932 YSXRJDODJQFSKW-YJBOKZPZSA-N 459.527 4.941 50 10 JJGE O=C(Nc1cc(F)c(CBr)cc1F)c1csc(I)c1 2342975704 QWRJSCBOGKYWSE-UHFFFAOYSA-N 458.065 4.778 50 10 JJGE CC(C)(C)OC(=O)N[C@@]12CCC(F)(F)C[C@@H]1CN(CC1(CBr)CC(F)C1)C2 2370148735 FTYKEMAOEVQGOR-YHDCKOJYSA-N 455.359 4.514 50 10 JJGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@H]1CN(C[C@@H](CBr)CC1CC1)C2 2370175112 MSHRPFXYIAWVSU-GJYPPUQNSA-N 451.396 4.812 50 10 JJGE Cc1ccc(COc2ccc(-c3cc(C(=O)NN=Cc4cccc([N+](=O)[O-])c4)n[nH]3)cc2)cc1 2195987 FZLUAEGCHOZWSZ-UHFFFAOYSA-N 455.474 4.636 50 10 JJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)C(c3ccccc3)c3ccccc3)cc2)c1 12578287 XJKAVZINFZQNQK-UHFFFAOYSA-N 463.537 4.840 50 10 JJGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 14029747 MCDKOQGFBWIXFC-AWEZNQCLSA-N 498.432 4.665 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 38688315 RVLCKTCTVPSXDS-XZOQPEGZSA-N 495.318 4.957 50 10 JJGE COc1cccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)c1 40961181 ZTNXZXYSTSHDOF-AFUMVMLFSA-N 469.335 4.566 50 10 JJGE COc1cccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 103734189 OJJQVTQZVVEFCM-FMSSBYAVSA-N 496.223 4.884 50 10 JJGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)OC)cc2OC)cc1OCC 207294836 GTGRNQXAHXRMIL-JFCNABASSA-N 479.529 4.972 50 10 JJGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\Nc1ccc(I)cc1 217241023 KTYAXAVJTKHBQT-PFONDFGASA-N 489.313 4.706 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3cccc4ccccc34)cc2)cc1 254347319 BSJUOFTXUCPABH-UHFFFAOYSA-N 495.535 4.937 50 10 JJGE C=CCc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)cc2)c(OCC)c1 254555072 UHGMWLSQKYABSJ-UHFFFAOYSA-N 488.540 4.571 50 10 JJGE ClCCc1nc2ccncc2n1-c1cc(I)ccc1Br 394212561 GRLFLSANUWGOKK-UHFFFAOYSA-N 462.516 4.569 50 10 JJGE C/C(=C/C(=O)NNC(=O)[C@H](C)Oc1c(C)cc(Cl)cc1C)c1cccc(C(F)(F)F)c1 1540335684 HSIRAMGGDUYKMB-WQTVUKCASA-N 454.876 4.994 50 10 JJGE C#CCC1(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)CCOCC1 1598177662 XYEHZUSPXBBFSC-RGEXLXHISA-N 456.373 4.997 50 10 JJGE Cc1c(C(=O)N2CCCC[C@H]2C)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747975 MPHXMQSIROXMOB-CYBMUJFWSA-N 472.929 4.635 50 10 JJGE COc1ccc(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1 1865759364 WWKRGZIQQRWMFR-LFYBBSHMSA-N 456.329 4.847 50 10 JJGE CC1(C)C[C@H](Br)CN(C(=O)c2ccc(I)c(Cl)c2)C1 1923163838 MOPQDQRALARFJU-JTQLQIEISA-N 456.549 4.580 50 10 JJGE O=C(c1ccc(O)c(Br)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 2003592482 ZKEKTPZYUGWJJR-QGZVFWFLSA-N 453.174 4.971 50 10 JJGE C[C@@H](CCCCCI)NCc1ccc(I)cc1 2006097332 LODXJSBHAHRNDS-LBPRGKRZSA-N 457.137 4.765 50 10 JJGE O=C(N[C@H]1CCC[C@H](CBr)C1)c1c(Br)cccc1Br 2094089341 VVRYGAPGCIZGCW-UWVGGRQHSA-N 454.000 4.895 50 10 JJGE O=C(c1cc(Br)ccc1I)N1C[C@H](Br)CC12CCC2 2099393538 XYCQORNGUBMUEQ-SNVBAGLBSA-N 498.984 4.586 50 10 JJGE O=C(c1csc(I)c1)N1CCC[C@@]2(CBr)CCC[C@@H]12 2108986995 XLRJATHPXBMENR-BXUZGUMPSA-N 454.171 4.523 50 10 JJGE O=C(c1sccc1I)N1CCC[C@@H]2CC[C@H](Br)C[C@@H]21 2110690159 MQFMXSVNPKFYJW-SCVCMEIPSA-N 454.171 4.521 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@H](CBr)C12CC2 2133829945 FHFPBVYJPPFUDK-SECBINFHSA-N 451.984 4.601 50 10 JJGE C[C@@H]1C[C@H](Br)CCN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295309944 PWAJTYOUYRHZAW-ZYHUDNBSSA-N 468.027 4.776 50 10 JJGE N#CC(C(=O)Cn1cnc2scc(-c3cccc([N+](=O)[O-])c3)c2c1=O)=C1Nc2ccccc2S1 2320729531 CHZWXNSHHFTSRS-UHFFFAOYSA-N 487.522 4.555 50 10 JJGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)CNS(=O)(=O)c2ccc(C)cc2)n1 2331411912 PXCIPPXBIAQXIR-UHFFFAOYSA-N 475.979 4.552 50 10 JJGE C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1cc(Cl)ccc1[N+](=O)[O-] 20311353 HYEJSFRBTWSLNS-MMDHUZEPSA-N 453.882 4.745 50 10 JJGE CC(/C=C/c1ccccc1)=N/NC(=O)COc1ccc(Br)cc1Br 34953976 ZSOICLUSEVPAER-RFAOVZISSA-N 452.146 4.796 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)cc1 38685940 DEBKHPZPGQXHHC-RUZDIDTESA-N 456.498 4.921 50 10 JJGE CCOc1ccc(/C=N/NC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1 58989137 ZVNCIYWKYQMRFN-TURZUDJPSA-N 485.613 4.694 50 10 JJGE COc1cccc(C(=O)N/N=C2\C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)c1 59471808 XUIOPEOMHGJFKS-QLYXXIJNSA-N 454.313 4.683 50 10 JJGE C[C@](CBr)(NS(=O)(=O)c1cc(Cl)c(Br)s1)c1ccccc1 134455847 MOCUKVDXUVRMSZ-CYBMUJFWSA-N 473.639 4.753 50 10 JJGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCC)c(OC)c2)c(OC)c1 207108538 KXPZKUKUWBGPQZ-YJXVQIIVSA-N 478.545 4.545 50 10 JJGE Oc1ccc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc1Br 383435244 WXIOOPRSMNPICC-HOTGVXAUSA-N 472.164 4.805 50 10 JJGE Cc1ccccc1NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 782092137 COHNJCBNTLKGBR-HJHGFDQJSA-N 487.947 4.903 50 10 JJGE CSc1ccc(C=NNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084084685 ANZKEXAMUFOZOD-UHFFFAOYSA-N 488.034 4.716 50 10 JJGE C/C(=C/c1ccc(Cl)cc1)C(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 1442524299 CTAUGNUDUXTGGT-IBOHTEHESA-N 459.977 4.518 50 10 JJGE CCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(OC)cc2)CCC3)cc1 1772746173 RUDIJMSQRKFEIO-UHFFFAOYSA-N 461.518 4.718 50 10 JJGE CCCCCN1C(=O)C(=NNC(=O)COc2ccc(Cl)cc2)c2cc(Br)ccc21 1772752396 DZOZWXIVORXZOC-UHFFFAOYSA-N 478.774 4.539 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)c1 1865712038 OLMDVCDXCBAMBU-HSZRJFAPSA-N 452.489 4.964 50 10 JJGE COc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccc(C)cc3)nc2C)c(C(C)(C)C)c1 1865757578 KAVYTMDSMYDRHM-UHFFFAOYSA-N 461.562 4.512 50 10 JJGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 1865759853 VPHVNXAXNTZSNF-UHFFFAOYSA-N 457.480 4.928 50 10 JJGE COc1ccc(Br)cc1/C=C1\Oc2cc(OC(=O)C(Cl)Cl)ccc2C1=O 1871385303 LNJQVMDFQJFAOO-CHHVJCJISA-N 458.091 4.783 50 10 JJGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1cc(Br)sc1Br 2042546335 XGLLPPJYLLJBBI-CRYJXSNHSA-N 458.013 4.565 50 10 JJGE FC(F)(F)c1cc(I)c(CBr)c(I)c1 2060238557 LZJCYKKNMIPOND-UHFFFAOYSA-N 490.826 4.810 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2CC(Br)C[C@H]2C1 2065398657 CQFPZMVUCQHNJD-BQBZGAKWSA-N 458.013 4.519 50 10 JJGE FC(F)(F)c1ccc(-n2nc(CCl)c(I)c2C(F)(F)F)nc1 2078890506 SJUONLAWNUZOCU-UHFFFAOYSA-N 455.527 4.648 50 10 JJGE Cc1nn(C)c(Br)c1COc1cccc(CBr)c1Br 2129300867 VGBYJSCVCGEHKV-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE CC[C@H](C)[C@@H](CI)NC(=O)c1cc(Cl)c(C)c(Br)c1 2136494890 UQFUNFMTPJKNIA-ISVAXAHUSA-N 458.565 4.990 50 10 JJGE CC[C@@H]1CN(C(=O)c2cc(Br)cc(Br)c2)C[C@H]1CBr 2140788267 PORNJHDIISWBMG-MWLCHTKSSA-N 454.000 4.705 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CC[C@@H](Cl)C(F)(F)CC1 2150040584 VPEKTBDHFFJTHB-LLVKDONJSA-N 478.502 4.532 50 10 JJGE Cc1cc(Br)c(CBr)c(N(C)Cc2c(Br)cnn2C)c1 2173445834 XAZJJILOQSTBQL-UHFFFAOYSA-N 466.015 4.785 50 10 JJGE C[C@]1(CNC(=O)c2cc(Br)c(Br)s2)CCC[C@@H]1Br 2258798175 ZKRODFFCEQXTRS-JOYOIKCWSA-N 460.029 4.957 50 10 JJGE C[C@H](Br)[C@@H]1CCCN1Cc1ccc(I)c(Br)c1 2306217675 RZHROHRAJPALPF-ZANVPECISA-N 472.990 4.802 50 10 JJGE Cc1ccc(COc2ccc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc2)cc1 2328796548 WLQYJKSPBSVQHL-QHCPKHFHSA-N 453.583 4.964 50 10 JJGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4c[nH]c5ccccc45)cs3)cc2C1=O 2331347028 XOSRRLSRBFFHKC-UHFFFAOYSA-N 484.537 4.874 50 10 JJGE C[C@H](Br)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2I)C1 2340060487 CVIXERRHQINZFT-UWVGGRQHSA-N 456.549 4.580 50 10 JJGE O=C(N[C@H]1C[C@@H](CBr)C12CCC2)c1ccc(Br)cc1Br 2379721328 RVDWFPILHIEHHC-ZANVPECISA-N 466.011 4.895 50 10 JJGE Cc1c(Br)cc(NCC(=O)N/N=C\c2ccccc2Cl)cc1Br 33154848 FNZJYBKIUKEBOK-WNFQYIGGSA-N 459.569 4.736 50 10 JJGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccc(F)cc3)ccc21 38650519 ZHUALONWKUJPQL-IVCQMTBJSA-N 474.488 4.815 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1ccc(Br)cc1 38651621 YRCCWGAFMHGCNL-NRFANRHFSA-N 492.285 4.795 50 10 JJGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3C)nc3ccccn3c2=O)cc1C 39858892 KZXNLMIWINZRSD-HKWRFOASSA-N 450.498 4.958 50 10 JJGE O=C(NNc1ncnc(NCCC2=CCCCC2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40622211 QSDLFPLFHOWALW-UHFFFAOYSA-N 451.314 4.751 50 10 JJGE CC(C)Cc1ccc([C@H](C)C(=O)N/N=C2/C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 59167101 OYXAFKGYYWHRGX-CVPHNUOQSA-N 484.556 4.964 50 10 JJGE CCCOc1ccc(/C=N\NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cc1Cl 169920302 UKLKXEPKEDXYPJ-WGARJPEWSA-N 458.345 4.756 50 10 JJGE COc1cc(C[C@@H](Br)c2cc(Br)sc2Br)ncn1 234986174 FCZLUFCXZUPTEM-MRVPVSSYSA-N 456.985 4.750 50 10 JJGE Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 253564504 GPAZACGDFHVOSZ-RWPZCVJISA-N 475.911 4.989 50 10 JJGE CC[C@H]1[C@@H](CBr)CCN1C(=O)c1ccc(Br)cc1Br 386325066 UQODULJQBUJCDJ-RNCFNFMXSA-N 454.000 4.847 50 10 JJGE O=C(CBr)c1c(OC(F)(F)F)ccc(I)c1Br 575693799 AVTQXGNZTOUTQG-UHFFFAOYSA-N 487.835 4.530 50 10 JJGE C[C@H]1CCCN(C(=O)c2cc(Br)cc(Br)c2)[C@@H]1CBr 688679661 PVCGIALIPRYZGC-TVQRCGJNSA-N 454.000 4.847 50 10 JJGE CN(C[C@H]1CCC[C@@H]1Br)C(=O)c1cc(Br)c(Br)s1 689315586 TWMHDTIVRMVDEO-SFYZADRCSA-N 460.029 4.909 50 10 JJGE O=C(NNC(=O)c1cccc2cccnc12)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 731188478 BNYRFRMOMXMZDC-UHFFFAOYSA-N 469.888 4.680 50 10 JJGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 746182266 JXLIGQCRILGAIL-UHFFFAOYSA-N 473.323 4.544 50 10 JJGE CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OC 1083858959 PKWGZZWAKHQERB-CXUHLZMHSA-N 476.314 4.861 50 10 JJGE CC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)[C@@H](C)Oc3cccc(Cl)c3)cc2)cc1 1128595733 PIIJKLUBBKMCIR-MRXNPFEDSA-N 452.894 4.563 50 10 JJGE CC(=O)c1cccc(OCCCC(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)c1 1297680912 GJLNZKHPYNOCAT-UHFFFAOYSA-N 458.440 4.667 50 10 JJGE C#Cc1cccc(NC(=S)NNC(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)c1 1558199486 GVLYFYAUQNZORY-OAQYLSRUSA-N 453.539 4.797 50 10 JJGE COc1ccc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)c(OC)c1 1772754815 WTGMFWYNIXZEOP-UHFFFAOYSA-N 469.335 4.662 50 10 JJGE CC(C)c1ccccc1NC(=O)COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F 1858680892 RRNODYQJKUUEMZ-UHFFFAOYSA-N 468.441 4.881 50 10 JJGE CC[C@H](CCBr)NCc1ccc(I)c(Br)c1 1904337126 COODVIZAQXOOKI-SNVBAGLBSA-N 460.979 4.707 50 10 JJGE O=C(N[C@@H](CCBr)C(F)(F)F)c1cc(Br)c(Br)s1 1918518781 QTBNOMBTJMZEQS-LURJTMIESA-N 473.934 4.719 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CC[C@@H](Br)[C@H]1C1CC1 2067018091 WAFDVBYGVAKAOZ-PSASIEDQSA-N 458.013 4.661 50 10 JJGE C[C@H]1CC[C@](CBr)(NC(=O)c2csc(Br)c2Br)C1 2074206270 UADDPPIBRSVGDP-MADCSZMMSA-N 460.029 4.957 50 10 JJGE CC[C@@H](Br)[C@@H](CC)NC(=O)c1ccc(Br)cc1I 2086150452 BHICYCFKBPMJPC-ZYHUDNBSSA-N 488.989 4.736 50 10 JJGE C[C@H]1C[C@@H](Br)CCN(C(=O)c2cccc(Br)c2Br)C1 2103290399 ASVXWMVMGMNMAT-UWVGGRQHSA-N 454.000 4.847 50 10 JJGE Cc1c([C@@H](Br)c2cc(Br)c3c(c2)CCO3)nn(C)c1Br 2168218830 TWGFWKKTQFDQRS-NSHDSACASA-N 464.983 4.673 50 10 JJGE BrC[C@H]1CN(Cc2cc(Br)ccc2Br)CC2(CCC2)O1 2175151889 IHSREOBZVWEPLF-ZDUSSCGKSA-N 468.027 4.730 50 10 JJGE C[C@H](Br)CN(C(=O)c1cc(Cl)ccc1I)C1CCC1 2272450230 FXEGKXVIBIBUON-VIFPVBQESA-N 456.549 4.723 50 10 JJGE C[C@H](Br)CN(C(=O)c1ccc(Cl)c(I)c1)C1CCC1 2272453723 QQZDIGRHJUGDID-VIFPVBQESA-N 456.549 4.723 50 10 JJGE CC1(C)CC[C@@H](CBr)N(C(=O)c2ccc(Cl)c(I)c2)C1 2283661697 HKCHYBHLYSRDCF-NSHDSACASA-N 470.576 4.970 50 10 JJGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3)nc3c(C)cccn3c2=O)cc1 2314532840 MZUPNVNLVCJOAW-UHFFFAOYSA-N 494.507 4.518 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 2314616539 DBHSLCIJKDFUBJ-UHFFFAOYSA-N 453.454 4.956 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c(OC)c1 2314776858 RMXPRDZCPGXEOG-KRWDZBQOSA-N 470.953 4.853 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@H]2CC[C@H]1[C@H](Br)C2 2349951531 YGSWGSPNZNIPCS-AXTRIDKLSA-N 451.984 4.600 50 10 JJGE COc1cccc([C@@H](CI)OCc2cccc(I)c2)c1 2367343179 JKKHQUAJPNCZLV-MRXNPFEDSA-N 494.110 4.993 50 10 JJGE Cc1cc(Br)c(OCC(=O)N/N=C/c2c(O)ccc3ccccc23)c(Br)c1 3050024 MAAHFXYMKROHPG-AUEPDCJTSA-N 492.167 4.908 50 10 JJGE CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 9872532 LHNKYQRPLDLECO-RBSFLKMASA-N 453.366 4.889 50 10 JJGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)c1 14041937 OYFDFTONYLTPLE-UHFFFAOYSA-N 461.996 4.683 50 10 JJGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 14668001 DSSFHGMINQZASX-LLVKDONJSA-N 490.181 4.772 50 10 JJGE Cc1nn(-c2ccc(F)cc2)c2nc(CC3CCCCC3)nc(N3CCN(C(=O)CCCl)CC3)c12 37377346 WKZSIOCYYVGFJM-UHFFFAOYSA-N 499.034 4.663 50 10 JJGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OC)c1 38650063 CDEYAVNPNHFPEH-RUZDIDTESA-N 456.498 4.921 50 10 JJGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2OC)c1 38658948 VQGXIEIUSSGQQX-XMMPIXPASA-N 472.497 4.540 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1OC 38659554 HOJCCUQIONVTAB-HHHXNRCGSA-N 486.524 4.605 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@H]1c1cccc(F)c1 38678032 OGFZPDILERBRBE-HSZRJFAPSA-N 450.853 4.682 50 10 JJGE Cc1ccc(C)c(OCCCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)c1 40935210 BHSUDTIAWOBKBI-CJLVFECKSA-N 458.514 4.884 50 10 JJGE O=C(N/C(=C/N1CCOCC1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 102618593 GCGJZAYCYAEVNI-JVCXMKTPSA-O 493.567 4.542 50 10 JJGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1 102684089 PKSSCIRJSWNEGH-MNDPQUGUSA-N 466.497 4.603 50 10 JJGE CC(=NNC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 252617061 KLJXZPYYWZRKPP-UHFFFAOYSA-N 480.908 4.728 50 10 JJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(OC)cc3)cc2)cc1 254566081 CMYRRRNLMUITLZ-UHFFFAOYSA-N 476.529 4.622 50 10 JJGE C[C@H](Br)[C@H]1CCCN(C(=O)c2cc(Br)c(Br)s2)C1 688976236 FOODMBYHIGMHQD-YUMQZZPRSA-N 460.029 4.909 50 10 JJGE COC[C@@H](CC(CBr)(CBr)c1cccc(Br)c1)OC 694717250 ZJSRQMHOWJDSET-CYBMUJFWSA-N 459.016 4.528 50 10 JJGE O=C(c1cc(I)ccc1Br)N(CCCl)c1ccccc1 714533926 CDYLIVBMVJWTLT-UHFFFAOYSA-N 464.528 4.939 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)c(-c2ccccc2)n1 761413932 ATZKAZLWEHELJY-BOPFTXTBSA-N 494.338 4.859 50 10 JJGE CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](CC(=O)OC)c2ccc(Br)cc2)c1C 837138672 BICTZIDIWOPYIA-JAORQVBISA-N 472.383 4.605 50 10 JJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=C(C)c1ccc(C)cc1 1084019596 PTVNKSXIJVIQCH-UHFFFAOYSA-N 469.014 4.671 50 10 JJGE Cc1cc(C)c(OCC(=O)NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c(C)c1 1084165652 JDRDLFUHCDHQEE-UHFFFAOYSA-N 478.461 4.750 50 10 JJGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1C(=NNC(=O)c1cccnc1)CCC2 1772745803 LBPMIZLVCPFJAR-UHFFFAOYSA-N 456.424 4.725 50 10 JJGE O=C(c1cc(Br)ccc1I)N1C[C@@H](CCl)C2(CCC2)C1 1914492129 LOHJKBIZVITZRE-SNVBAGLBSA-N 468.560 4.535 50 10 JJGE O=S1(=O)CCCC[C@H]1[C@H](Br)c1sc(Br)cc1Br 1922935808 SJMSFBNXTXLGDX-CBAPKCEASA-N 467.042 4.676 50 10 JJGE CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Br)c1 1984687360 OABXHPDVYNFLCC-UHFFFAOYSA-N 461.219 4.943 50 10 JJGE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)NCC2CC(Br)C2)c1 2020169653 ZPZDQFPZJMNGMN-UHFFFAOYSA-N 462.182 4.699 50 10 JJGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@H](Cl)c1c(Br)sc(Br)c1Br 2054217075 FWTDQVYTOWSFSW-MZEQXDKDSA-N 499.471 4.606 50 10 JJGE FC(F)(F)c1cc(I)c(CBr)cc1I 2060237341 JLQPWYHJPGFXRP-UHFFFAOYSA-N 490.826 4.810 50 10 JJGE C[C@@]1(CCBr)CCN(C(=O)c2cc(Br)c(Br)s2)C1 2068150981 NGZQVWNYYYGNSN-GFCCVEGCSA-N 460.029 4.910 50 10 JJGE C[C@H](NC(=O)c1cc(Br)cc(Br)c1)[C@@H]1CCC[C@H]1Br 2111559067 VIFITJDTVHAXSZ-AQUOVQTQSA-N 454.000 4.894 50 10 JJGE Fc1cc2c(cc1I)nc(CCCl)n2C1CC(Br)C1 2126744082 AEFHUNSSBDYFGK-UHFFFAOYSA-N 457.512 4.660 50 10 JJGE FC(F)(F)c1cnc(N2[C@H]3CC[C@@H]2C[C@H](Br)C3)c(I)c1 2154911574 PDENRNWEHFCYTC-ILWJIGKKSA-N 461.063 4.600 50 10 JJGE CN(c1ncc(C(F)(F)F)cc1I)C1CCC(Br)CC1 2160156244 PFBQEUUJHGWPQK-UHFFFAOYSA-N 463.079 4.847 50 10 JJGE C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(Cl)c(CBr)c1 2179794632 JFMRGFRKXHLIKB-INIZCTEOSA-N 471.848 4.520 50 10 JJGE CCC[C@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@@H]1CBr 2205703592 NWNIAWKRWFEOND-RYUDHWBXSA-N 470.576 4.828 50 10 JJGE CC[C@H](C)[C@H](CI)NC(=O)c1cc(Br)c(F)cc1Cl 2270438121 NZMPZCCQLCYUGD-MADCSZMMSA-N 462.528 4.821 50 10 JJGE C[C@H](Br)C[C@@H]1CCCCN1C(=O)c1c(F)cccc1I 2282806505 MPZLKXVPFRANCQ-QWRGUYRKSA-N 454.121 4.599 50 10 JJGE C[C@H](Br)C[C@@H]1CCCN1C(=O)Cc1cc(Br)cc(Br)c1 2295307978 RGGVODQQQSOEMP-HZMBPMFUSA-N 468.027 4.919 50 10 JJGE CC1(C)[C@H](CBr)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2295338132 SACAEOPULDGYFM-NSHDSACASA-N 468.027 4.776 50 10 JJGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)cc1 2296542737 GWCACJKHYBWXMW-UHFFFAOYSA-N 450.498 4.958 50 10 JJGE C[C@@H]1CCCN(CC(C)(C)CI)[C@@H]1CCCNC(=O)OC(C)(C)C 2306819978 ZISHZSLLCSDAJE-HZPDHXFCSA-N 452.421 4.853 50 10 JJGE COc1cc(Br)c(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC 2313670803 XIZMDYPTEPDWTG-UHFFFAOYSA-N 466.675 4.574 50 10 JJGE CCOc1cc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OCc1ccccc1F 2328833131 GFYLKCXPXWIEAL-QHCPKHFHSA-N 487.572 4.803 50 10 JJGE COc1cc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc(OC)c1OC 2331320442 NZEKTMOHDDVNAA-UHFFFAOYSA-N 483.521 4.506 50 10 JJGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)NCc3ccco3)N(c3ccc(C)cc3)C2=O)cc1 935003 SHHHDWGMZPYKMV-QPQMVVSWSA-N 457.555 4.639 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 14028426 KIZCLCMJEDXVDJ-UHFFFAOYSA-N 459.546 4.973 50 10 JJGE CCCCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 14029493 BOIZZVLHHTYGNK-UHFFFAOYSA-N 466.365 4.742 50 10 JJGE O=C(N/N=C\c1ccccc1OC(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 33909969 WSELYWMXXMFNSI-CEUNXORHSA-N 463.493 4.922 50 10 JJGE C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(Cl)cc2Cl)c(OC)c1 34896126 LPZVTUPOBOINPZ-LDZFKAGLSA-N 457.313 4.830 50 10 JJGE COc1ccc(N/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)cc1Cl 217253692 FJTVWMJBTJMFMU-BENRWUELSA-N 467.694 4.720 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CCC[C@@H](CCBr)C1 232348196 KMVUCCIEWXZSFS-JTQLQIEISA-N 456.549 4.582 50 10 JJGE CCCCCOc1ccc(O[C@H](C)C(=O)NN=Cc2cc(OC)ccc2Br)cc1 252622310 NSEJOVIUQLEUQQ-MRXNPFEDSA-N 463.372 4.944 50 10 JJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)Cc3ccccc3)cc2OC)cc1 254294370 IONZUWULQKMDCR-UHFFFAOYSA-N 460.530 4.786 50 10 JJGE CCN(CC)c1ccc(/C=C2\CCC(C=NNC(=O)NC3CCCCC3)=C2N2CCOCC2)cc1 254616141 CYLQYVAJQKKGMX-KQEVRJLPSA-N 479.669 4.914 50 10 JJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cccc(OC)c3)cc2OC)cc1 254763379 FHFDFKIGTLRUIR-UHFFFAOYSA-N 476.529 4.866 50 10 JJGE O=C(N[C@@H]1CCC[C@@H](CCl)C1)c1cc(Br)ccc1I 302622616 QKMMDMAGCCKAAJ-MWLCHTKSSA-N 456.549 4.581 50 10 JJGE Oc1c(Br)cccc1[C@H]1CN(Cc2ccccc2)C[C@@H]1CI 394777223 FOTUCUBOHXAQJN-HOCLYGCPSA-N 472.164 4.805 50 10 JJGE C[C@H](Br)[C@H]1CCCCN1C(=O)c1ccc(I)c(Cl)c1 688779244 XOEKMCGEVKECSY-TVQRCGJNSA-N 456.549 4.723 50 10 JJGE Cn1ncc(Br)c1[C@@H](Br)c1c(Br)cc(F)c(F)c1F 693087337 YNSBHEHBTMVEAA-QMMMGPOBSA-N 462.889 4.847 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2CCC[C@H](Br)C2)cc1Br 694497412 PSIFGHGGPPLWFK-UWVGGRQHSA-N 490.055 4.504 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)c(-c2ccccc2)n1 726567732 HYFLDMPNAVDXJE-YBSZZVQYSA-N 486.373 4.806 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 1084016242 STKZLXVQTBAQNQ-OAHLLOKOSA-N 457.361 4.728 50 10 JJGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccccc1F 1084103794 RXTKKQFFUOMPOQ-HSZRJFAPSA-N 450.510 4.767 50 10 JJGE C=CCC[C@@H](NCC(=O)NNC(=O)c1cc(C)c(CC)s1)c1ccc(C(F)(F)F)cc1 1307617960 JKLNUDWHBUZPKH-QGZVFWFLSA-N 453.530 4.696 50 10 JJGE Cc1c(C(=O)N(C)c2ccccc2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747407 HLEMQQZTUGCEQF-UHFFFAOYSA-N 480.908 4.897 50 10 JJGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865698241 OBIXZGANSUGDFY-QFIPXVFZSA-N 462.937 4.527 50 10 JJGE CCOc1c(Br)cc(CNC[C@H]2C[C@@H](Br)C2)cc1Br 1887923430 GBZLMNXBMLTFNS-JGZJWPJOSA-N 456.016 4.873 50 10 JJGE CC(C)[C@@H](CCl)N(Cc1ccccc1)C(=O)c1cc(I)ccc1O 1915289143 QCZPQHTWLZTZRR-QGZVFWFLSA-N 457.739 4.903 50 10 JJGE O=C(NN(Cc1ccccc1)Cc1ccccc1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 1923811603 FHOCFUJJFNDYPR-UHFFFAOYSA-N 475.548 4.830 50 10 JJGE CC(C)(C)[C@H]1[C@H](Br)CCN1c1ncc(I)cc1Br 2069530841 AFLSLFSLQAHKMQ-MWLCHTKSSA-N 488.005 4.837 50 10 JJGE C[C@@H]1C[C@H](Cl)CCN(C(=O)c2cc(Br)ccc2I)C1 2103287236 PBCNNISIQTYFAX-MWLCHTKSSA-N 456.549 4.533 50 10 JJGE CN([C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)cs1 2123228884 FVZUSDYVHGEKCK-SJLPKXTDSA-N 458.443 4.647 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CCC[C@H](Cl)[C@H]1CC2 2154098171 CPBKYXDAUYIHGO-VHRBIJSZSA-N 468.560 4.818 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@@H](CCl)[C@@H](C(F)(F)F)C1 2163352738 HYTULJUHFWMQBT-RITPCOANSA-N 455.521 4.762 50 10 JJGE O=C(c1cc(Br)ccc1I)N1[C@@H](CCl)CCC12CCC2 2205773406 QIPNJVLDYXSSAF-LLVKDONJSA-N 468.560 4.820 50 10 JJGE Cc1cc(C(=O)N(C)[C@@H]2CCCCC[C@@H]2Br)ccc1I 2207105983 WAQGVWPEJQFETE-DZGCQCFKSA-N 450.158 4.768 50 10 JJGE C[C@@H]1C[C@H](Br)[C@@H](C)N(C(=O)c2c(Br)cccc2Br)C1 2227598471 IDJPCFZALKNYHL-LNLATYFQSA-N 454.000 4.846 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@](=O)(=NCCCCCCCBr)C2 2277455005 LNFGCFKEYSESOU-NIYFSFCBSA-N 451.471 4.973 50 10 JJGE O=C(c1scc(Br)c1Cl)N1C[C@@H](CBr)[C@H](C(F)(F)F)C1 2279183642 MQCLFQCJXJAIMM-PHDIDXHHSA-N 455.521 4.809 50 10 JJGE O=C(N[C@H](CBr)CC1CCCC1)c1c(F)cccc1I 2282810231 RJGQCPOMTLIZLY-NSHDSACASA-N 454.121 4.504 50 10 JJGE O=C(c1ccc(I)cc1)N1CCC(CCCCBr)CC1 2283122639 BKDNMZKYZNRZCK-UHFFFAOYSA-N 450.158 4.709 50 10 JJGE COCCn1c(C)cc(C=C(C#N)C(=O)OCc2csc(Nc3ccc(OC)cc3)n2)c1C 2297335840 UPHZKXLUEQTISC-UHFFFAOYSA-N 466.563 4.610 50 10 JJGE N#CC(=Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 2297551645 WSZFPKISOIFNRC-UHFFFAOYSA-N 492.831 4.921 50 10 JJGE CCN(C[C@](C)(CI)OC[C@@H]1C[C@@H]2CC[C@H]1C2)C(=O)OC(C)(C)C 2298751529 NFEVNHYTUYNMFZ-DRMAHVMPSA-N 451.389 4.890 50 10 JJGE N=c1[nH]c2ccc(CC(=O)NN=Cc3cccc(OCc4ccc(Cl)cc4)c3)cc2s1 2323602298 ZQPHSKYMZNBEED-UHFFFAOYSA-N 450.951 4.634 50 10 JJGE CCC[C@H](CCBr)CNC(=O)c1ccc(Cl)cc1I 2340053537 BQJMNDYJXOKAGM-SNVBAGLBSA-N 458.565 4.876 50 10 JJGE CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 9872652 QKKIASZNLCJKDM-QUCCMNQESA-N 473.573 4.989 50 10 JJGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 12573806 YYMWBBFISDKVQE-UHFFFAOYSA-N 482.433 4.786 50 10 JJGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1 38649500 IGYIBYNEOHLDCM-SANMLTNESA-N 485.496 4.921 50 10 JJGE O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12)NNC(=O)c1ccccc1F 39852755 SWQRILYRZIUJHF-UHFFFAOYSA-N 450.901 4.806 50 10 JJGE Cc1c(C(=O)NCCc2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812893 VPERCYHBUUASAK-VFCFBJKWSA-N 494.389 4.793 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 101340579 UIWWOEGZDPZHFL-CIAFOILYSA-N 457.417 4.786 50 10 JJGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1[C@H]2CC[C@H]1CC(Br)C2 160475440 UDLPMJGSZQVEHR-UWVGGRQHSA-N 478.033 4.835 50 10 JJGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNC(=O)c2cccc(C)c2)cc1 254579320 RNOAZTJDZOLUGM-UHFFFAOYSA-N 479.536 4.556 50 10 JJGE CCOc1cc(C=NNC(=O)c2cc(-c3ccc(OCc4ccc(C)cc4)cc3)n[nH]2)ccc1O 254817200 ZGGJNCPGCLZJNC-UHFFFAOYSA-N 470.529 4.832 50 10 JJGE O=C(NC1CCC(CBr)CC1)c1ccc(Br)cc1Br 302579619 DVIDPDVXFFLIQV-UHFFFAOYSA-N 454.000 4.895 50 10 JJGE C[C@H]1CC[C@@H](CBr)CN1C(=O)c1cc(Br)ccc1Br 688703824 DHPHEKNFGOUWCY-UWVGGRQHSA-N 454.000 4.847 50 10 JJGE COc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 1084624046 XSHCFYONRAGJAG-UHFFFAOYSA-N 472.328 4.670 50 10 JJGE O=C(CSc1ccc2c3c(cccc13)C(=O)c1ccccc1-2)NNC(=O)c1ccccc1F 1086832494 ZUSZVVOKMYFVAY-UHFFFAOYSA-N 456.498 4.744 50 10 JJGE C=C(Cl)CSc1nc(C)c(CC(=O)NNC(=O)c2cc3c(s2)CCCCC3)s1 1540347185 HIWGOSCDDXSLEM-UHFFFAOYSA-N 456.058 4.630 50 10 JJGE C=CCn1c(SCC(=O)NNc2ccc(F)cc2Cl)nnc1-c1ccc(Cl)cc1 1653171395 PCLOINUVUREXRT-UHFFFAOYSA-N 452.342 4.812 50 10 JJGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865684000 KUCZHZWCNOVIDR-HSZRJFAPSA-N 480.524 4.789 50 10 JJGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)c1 1865690370 PMRVOPQYQBAFRS-FQEVSTJZSA-N 465.351 4.814 50 10 JJGE CCCc1nn(CCC)c2c1[C@@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865696947 LVFRLSCFRNMRLF-SFHVURJKSA-N 475.387 4.634 50 10 JJGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)cc1OC 1865697146 ODGOAEGYPFZLKB-RUZDIDTESA-N 458.562 4.954 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706321 SZBXTYLSVUYKFZ-QHCPKHFHSA-N 497.486 4.872 50 10 JJGE Cc1ccc(-c2ccc(C(=O)NNC(=O)CCc3ccccc3Br)c(C)n2)cc1 1865757559 IZTJQQZCFMMJQK-UHFFFAOYSA-N 452.352 4.522 50 10 JJGE CCN(CC)C(=O)COc1ccc(/C=N\NC(=O)c2ccc(-c3ccc(C)c(C)c3)nc2C)cc1 1865761131 CTKCWDUOAJKNMR-RHANQZHGSA-N 472.589 4.685 50 10 JJGE Cc1ccccc1CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1867118889 SDUDZWWTJOLOTB-VWLOTQADSA-N 473.598 4.963 50 10 JJGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1nn(C)c(Cl)c1Br 2001991442 LWOMGPNBXPJAPU-ZDUSSCGKSA-N 477.628 4.898 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 2013362159 ABRMTKKBCMDKHD-VGOFRKELSA-N 475.721 4.662 50 10 JJGE CC[C@@H](C)[C@H](CBr)NC(=O)c1cc(I)ccc1Br 2081238746 JFCLACMXWGDMMQ-PELKAZGASA-N 488.989 4.593 50 10 JJGE CC[C@@H](C)[C@@H](CBr)NC(=O)c1cc(Br)ccc1I 2081243086 UGCXBNNOAOAFKQ-PRHODGIISA-N 488.989 4.593 50 10 JJGE O=S1(=O)C[C@@H]2CCC[C@@]2([C@H](Br)c2cc(Br)sc2Br)C1 2137227694 MSRBUDHHUQIGCG-HNBZJPLGSA-N 493.080 4.924 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N[C@H](C)[C@H](Br)C(C)C)cc1Br 2159246856 SQKOOUUPUMRWCT-NOZJJQNGSA-N 492.071 4.606 50 10 JJGE CC[C@@H](Br)CN(CC)S(=O)(=O)c1cc(Br)c(C)cc1Br 2162889840 WTJGILRGGRIBFU-SNVBAGLBSA-N 492.071 4.704 50 10 JJGE CC[C@@H](Br)[C@H]1CCCCN1C(=O)c1cccc(F)c1I 2170609994 OXIPJXUZGKMXRN-DGCLKSJQSA-N 454.121 4.599 50 10 JJGE O=C(N[C@H](CBr)CC1CCOCC1)c1cc(Br)c(Br)s1 2195480725 ARSMEBYOBUSYGV-VIFPVBQESA-N 490.055 4.583 50 10 JJGE O=C(c1ccc(Br)cc1I)N1[C@H](CCl)C[C@H]2CCC[C@@H]21 2207267256 FCEXXTLCAPRMTO-PUYPPJJSSA-N 468.560 4.676 50 10 JJGE CCN(C(=O)c1ccc(I)c(Br)c1)[C@H]1CCC[C@H]1Cl 2224416424 WTNZKGMBMXABFQ-YPMHNXCESA-N 456.549 4.676 50 10 JJGE F[C@H](COc1c(Br)cc(Br)cc1CBr)[C@@H]1CCOC1 2229949905 OSFCXKXXKBVLDE-PRHODGIISA-N 460.963 4.860 50 10 JJGE BrC[C@]12CCCO[C@@H]1CN(Cc1cccc(Br)c1Br)C2 2239163453 PUAAPLNFDOMGHX-HIFRSBDPSA-N 468.027 4.588 50 10 JJGE O=S1(=O)CCC([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)CC1 2288375660 GDWBDGFARLUSCD-LLVKDONJSA-N 452.542 4.595 50 10 JJGE CC[C@H]1[C@H](CBr)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2295307576 LLPJYZKIDBAQRK-FZMZJTMJSA-N 468.027 4.776 50 10 JJGE CNC(=O)C(C#N)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1 2296834989 KDPVOQVDZBEXIZ-KRWDZBQOSA-N 466.777 4.819 50 10 JJGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cccc(Br)c1F 2303549289 RZNCONKGGPBLQZ-AWEZNQCLSA-N 459.153 4.688 50 10 JJGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)cc1 2314522397 HSDGOCHFLKBROC-UHFFFAOYSA-N 483.549 4.957 50 10 JJGE CCCc1ccc(OCC(=O)Oc2cccc(C=C(C#N)C(=O)OCC)c2)c(Br)c1 2314770513 FFHRGJFQFBKLRH-UHFFFAOYSA-N 472.335 4.856 50 10 JJGE COc1cc(F)c(CO[C@@](C)(CI)CNC(=O)OC(C)(C)C)c(Cl)c1 2317107290 LYJUHCHFVPVCTC-KRWDZBQOSA-N 487.737 4.723 50 10 JJGE COc1cccc(C[C@H](Br)c2c(Br)c(Br)nn2C)c1 2338863617 MEBWUVTWJPRNBD-JTQLQIEISA-N 452.972 4.632 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1[C@H]2CC[C@H](C2)[C@H]1CBr 2360163861 SJFWGZQMIXPSOU-DDTOSNHZSA-N 466.011 4.529 50 10 JJGE CC(C)[C@H](NC(=O)OC(C)(C)C)c1csc(NC(=O)N2CCC(Br)CC2)n1 2362642552 DIUALBWOPROTRE-AWEZNQCLSA-N 461.426 4.756 50 10 JJGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 14667972 JJAXTNUKKBMXIT-UHFFFAOYSA-N 467.363 4.829 50 10 JJGE C/C(=N\NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccc(Br)cc1 27520026 JPJSITIZJWZPRH-VULFUBBASA-N 454.299 4.995 50 10 JJGE C=CCc1cc(/C=C(/C#N)C(=O)NC[C@H]2CCCO2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 33745865 VKHBRBWEMZWYMB-IGSWSUAKSA-N 491.544 4.503 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@H]1c1ccccc1F 38651898 CKTVLXZFDPLOBJ-HSZRJFAPSA-N 495.304 4.791 50 10 JJGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(Cl)c2)CCC3)c1 40813275 GZZZEJKUNHABOO-MTDXEUNCSA-N 481.936 4.981 50 10 JJGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814629 MWFAGNZWAWYSNM-ZTKZIYFRSA-N 498.495 4.663 50 10 JJGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1 58883622 IHJOMKYJTAVBIP-ZTKZIYFRSA-N 491.657 4.676 50 10 JJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC)C(=O)C(C#N)=C2C)cc1F 101332480 ISJLVMGYNAUSIC-FYJGNVAPSA-N 470.504 4.689 50 10 JJGE O=C(N/N=C1\CCCc2ccccc21)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 102979220 RIOGIWCODHLCRA-YYDJUVGSSA-N 498.402 4.720 50 10 JJGE COc1cc(F)c([C@H](Br)c2ccc(I)cc2)cc1OC 109884854 QLNVHIYAABLTRJ-OAHLLOKOSA-N 451.073 4.932 50 10 JJGE C[C@@H](CCl)CS(=O)(=O)Nc1c(Br)cc(Br)cc1Br 126972750 KJLSSMSCSYDIDL-LURJTMIESA-N 484.435 4.591 50 10 JJGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2)c(OC)c1 206407018 LSPVENGTOAVAPE-KQWNVCNZSA-N 470.525 4.780 50 10 JJGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2c(O)ccc3ccccc23)cc1 254387507 SVUUZLUQKHNIPT-DBPCCWQVSA-N 478.552 4.533 50 10 JJGE CCn1c(SCC(=O)NN=C(C)c2cccc(OC)c2)nnc1-c1ccc(C(C)(C)C)cc1 254524686 UEYATMDYCYWSOG-UHFFFAOYSA-N 465.623 4.904 50 10 JJGE CC(C)(C)C(=O)[C@H](Br)Cc1ccc(I)c(Br)c1 304196259 KOJQEHJJZUJILU-SNVBAGLBSA-N 473.974 4.975 50 10 JJGE O=C(CBr)c1ccc(I)c(C(F)(F)F)c1C(F)(F)F 514267404 OAKIHTXAPDQIGF-UHFFFAOYSA-N 460.937 4.906 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)NCc2cc(-c3ccccc3)on2)c(-c2ccc(Cl)cc2)n1 726776322 HBLKCKIQMGTZAC-DEDYPNTBSA-N 482.931 4.996 50 10 JJGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)OC 1083939269 QAUKVVREAAQQOW-WOJGMQOQSA-N 469.335 4.584 50 10 JJGE Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)CCCNc1ccc(Br)cc1 1083985392 OSBGIXMXFQYERP-UHFFFAOYSA-N 474.790 4.939 50 10 JJGE O=C(NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1cc(F)c(F)cc1Cl 1084275512 FTTWQWRYIRHFGB-UHFFFAOYSA-N 460.267 4.953 50 10 JJGE COc1cccc(OCC(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)c1 1858902347 LSPBHFPRFMUVDI-UHFFFAOYSA-N 463.515 4.574 50 10 JJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)c1 1865692140 JJPOTHBEFMKYJA-DEOSSOPVSA-N 464.525 4.834 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccncc2)C(C#N)=C(N)O3)cc1 1865702162 OJTCUWLCJMOODE-JOCHJYFZSA-N 469.932 4.874 50 10 JJGE CC[C@@](C)(NC(=O)Cc1nc(-c2ccc(C)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866651206 AMEJFKQERADBJK-RUZDIDTESA-N 462.575 4.998 50 10 JJGE CSCC[C@H](NC(=O)Cc1nc(-c2ccc(C)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866652870 OAXSGTNEONTGBF-NRFANRHFSA-N 494.642 4.951 50 10 JJGE CC[C@@H](NC(=O)c1cc(C2CC2)n2nc(C(C)(C)C)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867189264 LOQGMCUVNKXNMR-GOSISDBHSA-N 476.606 4.624 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)c(OC)c1 1872755615 WULOVUQQBWFKNY-MNDPQUGUSA-N 454.420 4.594 50 10 JJGE Cc1cccc(C(=O)NN(Cc2ccccc2)Cc2ccccc2)c1I 1923931780 HRTOFTOAWFUGPD-UHFFFAOYSA-N 456.327 4.947 50 10 JJGE CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CBr)c1 1984688323 URDZJMDFUUHCCI-UHFFFAOYSA-N 461.219 4.943 50 10 JJGE CCN(C[C@@](C)(CI)OCCCOC(C)(C)C)C(=O)OC(C)(C)C 2010930878 XWHXEKSNIGGMOJ-GOSISDBHSA-N 457.393 4.659 50 10 JJGE O=C(CBr)c1cc(OC(F)(F)F)c(C(F)(F)F)cc1I 2055151782 QXGWHSCTEQLOSK-UHFFFAOYSA-N 476.936 4.786 50 10 JJGE C[C@@H]1CN(C(=O)c2cccc(Br)c2Br)C[C@@H](C)C1Br 2092332920 LGPWGDQAFFPCOK-RKDXNWHRSA-N 454.000 4.703 50 10 JJGE O=C(NC[C@H](CBr)C(F)(F)F)c1cc(Br)cc(Br)c1 2105269822 JTFJJQYLACVGAS-ZETCQYMHSA-N 467.905 4.515 50 10 JJGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@H]2C[C@H]2CO1 2122885470 ZCFTZRDKEWTDRD-QRTLGDNMSA-N 454.984 4.910 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@H](Br)[C@@H]1C1CC1 2130608361 SPHNKFHXTOYORU-AAEUAGOBSA-N 451.984 4.600 50 10 JJGE O=S(=O)(N[C@@H](CCBr)C1CC1)c1c(Cl)cc(Br)cc1Cl 2146589437 SQSYPEXDVITQHR-NSHDSACASA-N 466.022 4.598 50 10 JJGE CC(C)(C)OC(=O)N1Cc2sc(NC(=O)N3CCC(Br)CC3)nc2C1(C)C 2162491013 VLANIVAFVFZDEV-UHFFFAOYSA-N 459.410 4.520 50 10 JJGE C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2I)[C@H]1CCCl 2207272299 NCSMXZLXKTYWJO-YGRLFVJLSA-N 470.576 4.923 50 10 JJGE CCc1cc(Br)ccc1C[C@H](Br)CN1C(=O)c2ccccc2C1=O 2209908187 GXIXLXPWVFWSGP-HNNXBMFYSA-N 451.158 4.614 50 10 JJGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Br)c(I)o2)c1C 2293430065 FYWXARONAGYWPW-UHFFFAOYSA-N 471.092 4.809 50 10 JJGE C[C@H]1C[C@H](Br)CCN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295309941 PWAJTYOUYRHZAW-CMPLNLGQSA-N 468.027 4.776 50 10 JJGE C[C@@H](Br)[C@H]1CCCCN1C(=O)Cc1cc(Br)cc(Br)c1 2295317812 RLORLGPQRIECTK-QMTHXVAHSA-N 468.027 4.919 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2CC[C@@H](Br)[C@H]2C1 2308161507 UNOKTJUJIDOEPY-GJMOJQLCSA-N 458.013 4.519 50 10 JJGE CCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NC(C)C)cc2OC)cc1OCC 2314738819 VAAQFVHSZOEVRU-UHFFFAOYSA-N 478.545 4.543 50 10 JJGE COCc1cc(Br)c([C@H](Br)c2c(Br)ncn2C)s1 2315636775 ZPPFQOWDXVFUEW-MRVPVSSYSA-N 459.001 4.637 50 10 JJGE COc1ccc(Cc2nc3ccc(C(=O)NN=Cc4ccccc4OCC(C)C)cc3[nH]2)cc1 2323720855 MNZAZCYUIBHTTP-UHFFFAOYSA-N 456.546 4.961 50 10 JJGE N#CC(=CNCCc1ccc(Cl)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609809 NTCKAECMYPFAHC-UHFFFAOYSA-N 485.031 4.813 50 10 JJGE CCOc1ccc(CCNC=C(C#N)C(=O)N[C@@H](C)c2cc(C)ccc2OCC)cc1OCC 2325074283 YZYQTCPTKOEZCN-FQEVSTJZSA-N 465.594 4.608 50 10 JJGE C[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@@]1(C)CBr 2325221829 IOKOVOBIZOFDOI-QMTHXVAHSA-N 487.017 4.907 50 10 JJGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)c1ccc(-c2ccccc2)cc1 13977932 HDCISTNGRLABMJ-UHFFFAOYSA-N 459.727 4.610 50 10 JJGE Cc1cccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)NCc3ccco3)c3ccccc23)c1C 33344880 GJCNDUHOECKJPQ-MOSHPQCFSA-N 452.514 4.713 50 10 JJGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)cc1 33634903 GEBTXFQSXLMAOZ-QNGOZBTKSA-N 471.538 4.750 50 10 JJGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1O)CCC2 40826393 NKVHLJAZEPKLDT-WPWMEQJKSA-N 451.910 4.978 50 10 JJGE CCOc1cc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1cccc(F)c1 58871147 NHJIMYOUVXTUSW-JFLMPSFJSA-N 452.482 4.585 50 10 JJGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(C)c(C)c1 101241944 RPGMZJAKFCPXQF-YWDBVWQESA-N 451.979 4.685 50 10 JJGE COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(OC)c2)c([N+](=O)[O-])c1 215648543 ZPCFINUMPUDWGE-UNOMPAQXSA-N 459.458 4.737 50 10 JJGE Cc1cccc(OCC(=O)NN=C2C(=O)N(Cc3ccc(OCCC(C)C)cc3)c3ccccc32)c1 245285668 YJHKFZPPYQBWER-UHFFFAOYSA-N 485.584 4.866 50 10 JJGE COc1ccc(C=NNC(=O)c2cc(Br)ccc2OC)cc1OC(=O)c1ccc(C)cc1 252595066 BYHKAFMXEVJHLV-UHFFFAOYSA-N 497.345 4.758 50 10 JJGE C[C@@H](Br)C[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 312435623 WFVBJSMCYGLALT-BDAKNGLRSA-N 465.660 4.881 50 10 JJGE C[C@@H](CC(CBr)(CBr)c1ccc(Br)cc1)CS(C)(=O)=O 706477193 GLXBPOQJQKYCHQ-NSHDSACASA-N 491.083 4.548 50 10 JJGE CC[C@H](Br)CCCNC(=O)c1ccc(I)c(Br)c1 721617794 YSKKBKIPRCCAJK-JTQLQIEISA-N 488.989 4.737 50 10 JJGE Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 726942442 FMNPRBXWMUHGMQ-HAHDFKILSA-N 480.572 4.704 50 10 JJGE Cc1cc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)ccc1N1CCSCC1 749866347 FEOKEQLNJJVKLT-OQKWZONESA-N 482.613 4.871 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(F)cc1 786605221 FVPOKTZXMQVDPG-PDGQHHTCSA-N 451.885 4.976 50 10 JJGE CCCOc1c(Br)cc(Br)cc1C=NNC(=O)c1ccc(Cl)nc1 915973117 FMAHOZWDQTZQPK-UHFFFAOYSA-N 475.568 4.813 50 10 JJGE COc1cc2ccccc2cc1C(=O)NN=Cc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 1084520567 XPKGUGSAYMAWPA-UHFFFAOYSA-N 474.538 4.688 50 10 JJGE Cc1ccccc1C(=O)N[C@@H]1Cc2ccccc2C1=NNC(=O)Nc1ccc(OC(F)(F)F)cc1 1088687352 OTBMTYSLNZOTTD-OAQYLSRUSA-N 482.462 4.774 50 10 JJGE C#CCN1CCC[C@@H](NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C1 1634554956 MXFKEZQYSBRSAM-UMSHPIDHSA-N 455.389 4.522 50 10 JJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)cc1OCC 1865691451 SDNMEVZCURYRDZ-QFIPXVFZSA-N 460.534 4.501 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1c[nH]c2ccccc12 1865700143 LVDRBHXZQQAFST-SFHVURJKSA-N 453.399 4.789 50 10 JJGE CCc1nn(CC(C)C)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701361 UAPNLZOQKGXBLE-OAHLLOKOSA-N 496.203 4.550 50 10 JJGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705825 GTCUOJYOGQOXFG-OAQYLSRUSA-N 463.925 4.890 50 10 JJGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)CI 1865947774 RBHOYPRXYBUSND-UHFFFAOYSA-N 494.148 4.728 50 10 JJGE COc1ccc([C@@H]2C[C@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(C)n2)cc1OC 1868480617 QOZDOFXQPGMNKU-CTNGQTDRSA-N 477.590 4.821 50 10 JJGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccccc4C3=O)n2)c1 1872754610 AKKLQHUHPLOMRR-VZCXRCSSSA-N 475.526 4.696 50 10 JJGE Cn1cc([C@H](Br)c2sc(Cl)cc2I)nc1Br 1900924842 QTXOTTWVZOPRBC-ZETCQYMHSA-N 496.393 4.986 50 10 JJGE CCN(C[C@](C)(CBr)OCCOCCOCc1ccccc1)C(=O)OC(C)(C)C 1910530005 GQLPGADYANXMEV-QFIPXVFZSA-N 474.436 4.647 50 10 JJGE CCn1cc(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)nc1Br 1915267231 CAVBXXDDPJMVNK-MRXNPFEDSA-N 457.210 4.727 50 10 JJGE Cc1nc(Cl)ccc1-n1nc(CBr)c(I)c1C(F)(F)F 2078931471 QHMPBHXOFVTRNS-UHFFFAOYSA-N 480.453 4.747 50 10 JJGE C[C@H]1CC[C@H](CBr)N(C(=O)c2c(Br)cccc2Br)C1 2110612709 PBRVWVSANOIBAY-VHSXEESVSA-N 454.000 4.847 50 10 JJGE CCOCCOCCC(CBr)(CBr)c1ccccc1Br 2143825348 CPXYHFUFGUWQPI-UHFFFAOYSA-N 473.043 4.920 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1cc(Cl)ccc1I 2204560873 CQHGJHZOBGMIFI-TWOBJEBXSA-N 468.560 4.627 50 10 JJGE CC1(C)C[C@H](NC(=O)c2c(F)cccc2I)C[C@H](Br)C1 2282791844 KFALQFAFUMCYLH-VHSXEESVSA-N 454.121 4.502 50 10 JJGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CO[C@@H]2COC[C@@H]21 2288343948 DLBNDYXXGQBDJU-LIUHEQGWSA-N 476.937 4.587 50 10 JJGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@@H]2CCCO2)c1 2314476078 IHXDUEFPEFGDJB-SANMLTNESA-N 470.573 4.920 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1 2314640785 ZJQFJTOOQLPIOM-MHZLTWQESA-N 468.509 4.931 50 10 JJGE Cc1ccc(C(C)C)c(OCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)c1 2314754830 DOEBDOYDAAGLRQ-UHFFFAOYSA-N 458.514 4.919 50 10 JJGE C[C@H](Br)[C@@H](NCc1ccc(Cl)c(I)c1)C(F)(F)F 2315548076 CLOCROYNEVYEAE-QUBYGPBYSA-N 456.471 4.749 50 10 JJGE CC(=O)N(C(=O)C(C#N)=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(N)cc1 2324178698 ZZJAUSOVUIDGPU-UHFFFAOYSA-N 456.346 4.705 50 10 JJGE C[C@@H]1[C@H](Br)CCN(C(=O)c2ccc(Cl)cc2I)[C@@H]1C 2344518957 BVPYFMONGLEQMV-YGOYTEALSA-N 456.549 4.579 50 10 JJGE CC(C)[C@@H]1C[C@@H](Br)CN1C(=O)c1ccc(Cl)cc1I 2344773249 ZTQXCZONJMRESD-RNCFNFMXSA-N 456.549 4.579 50 10 JJGE O=C(N[C@H]1C[C@@H](CBr)C12CCC2)c1csc(Br)c1Br 2351635211 PSNRANGGXYXNIA-CBAPKCEASA-N 472.040 4.957 50 10 JJGE COc1cc(-c2cc(C(=O)NN=Cc3c[nH]c4ccccc34)n[nH]2)ccc1OCc1ccccc1 2367840 QLHMLQBKEQYXEE-UHFFFAOYSA-N 465.513 4.910 50 10 JJGE CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(CCc4ccccc4)C(=O)C(C#N)=C3C)o2)cc1 20038427 USVMPJRNVIKDGV-JLPGSUDCSA-N 450.494 4.984 50 10 JJGE Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC3CCCCC3)c(Oc3ccccc3Cl)nc12 33583973 AWALNAPOOOWFPF-SAPNQHFASA-N 462.937 4.805 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)c(OC)c1 38657149 FNOILAIECHJZHE-QHCPKHFHSA-N 462.889 4.795 50 10 JJGE Cc1cc(Oc2ncnc(NNC(=O)c3ccc(Br)cc3)c2N)cc(C)c1Cl 40784533 PHIVGIFWVSSZFW-UHFFFAOYSA-N 462.735 4.641 50 10 JJGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1F)CCC2 40812503 ZJYRINPNFABBAJ-ZTKZIYFRSA-N 477.492 4.627 50 10 JJGE Cc1c(C(=O)NC2CCCCC2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823231 XPYUQUGIJRPVMY-XKJRVUDJSA-N 485.400 4.640 50 10 JJGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)OCC)c3)o2)C1=O 103676692 NNZYOWYOQOFAQF-ATVHPVEESA-N 450.878 4.555 50 10 JJGE CCCOc1ccccc1/C=C\C(=O)Oc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1 206963967 VFTPXIITWSZOHF-ARHHCWRZSA-N 456.498 4.911 50 10 JJGE COc1ccc(CCCC(=O)NN=Cc2ccc(OCc3ccccc3C#N)c(OC)c2)cc1C 254287616 MJABPJSDZJBYLF-UHFFFAOYSA-N 471.557 4.936 50 10 JJGE O=C(NN=CC1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)c1ccc(Br)cc1 254347805 KOSDTXCXBFVERW-BEKIUASKSA-N 466.379 4.628 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CCC(CCCBr)CC1 401086666 VPGQXSLCONAFEQ-UHFFFAOYSA-N 470.576 4.972 50 10 JJGE C[C@@H](Cl)[C@H]1CCCN(C(=O)c2cc(I)ccc2Br)C1 689044763 VHLWDZYNUNNYKA-ZJUUUORDSA-N 456.549 4.533 50 10 JJGE O=C(c1scc(Br)c1Br)N1CCC(CCBr)CC1 707834905 MJEJJZJGZXTMBR-UHFFFAOYSA-N 460.029 4.910 50 10 JJGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1ccc(F)c(F)c1 1084071579 OBHKJTXXDSYHHK-UHFFFAOYSA-N 492.555 4.750 50 10 JJGE COc1cccc(C(C)=NNC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)c1 1084332972 GKIHVNXTPRSNEV-UHFFFAOYSA-N 485.613 4.694 50 10 JJGE COc1cc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1 1084487537 LKOJTVLIYGKVPM-UHFFFAOYSA-N 472.328 4.670 50 10 JJGE O=C(NN=Cc1cccc(Br)c1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 1084637583 NKXSDLUJORUHIS-UHFFFAOYSA-N 491.433 4.531 50 10 JJGE CC(=O)N(CCC(=O)NNc1c(Cl)cc(Br)cc1Cl)Cc1ccccc1 1360942369 NEZSAJWLZYQHHK-UHFFFAOYSA-N 459.171 4.638 50 10 JJGE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 1865705469 WNRGMUWBBXTOKS-VWLOTQADSA-N 462.509 4.927 50 10 JJGE COc1ccc(-c2nc(C=CC(=O)NNC(=O)CC34CC5CC(CC(C5)C3)C4)cs2)cc1 2040488569 UKXSSKNOURMNCE-UHFFFAOYSA-N 451.592 4.586 50 10 JJGE C[C@@H]1CC[C@@H](CBr)N(C(=O)c2csc(Br)c2Br)C1 2048055139 CZCSQTNVCSQNLT-SFYZADRCSA-N 460.029 4.909 50 10 JJGE O=C(CBr)c1c(OC(F)(F)F)ccc(C(F)F)c1I 2060392595 RSAHBGNUXOJIEY-UHFFFAOYSA-N 458.946 4.705 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1cc(Br)sc1Br 2139708174 JQXAYIGNRHGQKL-YIKMNZTOSA-N 472.040 4.955 50 10 JJGE C[C@H]1CC[C@@H](CCl)CN1C(=O)c1ccc(Br)cc1I 2142289692 SJGFJQNDHMWTTP-UWVGGRQHSA-N 456.549 4.533 50 10 JJGE Cc1nc2c(cc1Br)nc(CCl)n2[C@@H]1CCOC[C@@H]1OCc1ccccc1 2153125197 SBNSPXNBSXTNFS-MSOLQXFVSA-N 450.764 4.788 50 10 JJGE Cc1c(Br)cnc2c1nc(CCl)n2[C@@H]1CCOC[C@H]1OCc1ccccc1 2184922720 OTNMVJPPZZIKEQ-IAGOWNOFSA-N 450.764 4.788 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)Cc1c(F)c(F)c(Br)c(F)c1F 2243479847 DHDJLCNVDMUFMJ-ZETCQYMHSA-N 495.064 4.608 50 10 JJGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)Cc3ccc(OC)c(OC)c3)c(OC)c2)cc1 2320507112 YWZJEEROZWYKGM-UHFFFAOYSA-N 459.498 4.933 50 10 JJGE Brc1cc(CN2C[C@@H](Br)CC23CCC3)ccc1I 2325218609 QLYSJUVCMYHBRY-NSHDSACASA-N 485.001 4.946 50 10 JJGE CCOC(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3cccc(Br)c3)sc2c1 2329699978 KIVKYNRBIPZXTQ-UHFFFAOYSA-N 456.321 4.781 50 10 JJGE CC1(C)[C@H](CBr)CCN1C(=O)c1ccc(Cl)cc1I 2340062620 BMXXCDYCVJWRAQ-VIFPVBQESA-N 456.549 4.580 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1[C@H](CBr)C[C@@H]2CCC[C@H]21 2365597513 HLPUVMQBOXZZGE-NURSFMCSSA-N 468.560 4.723 50 10 JJGE Cc1cccc(-n2c(SCC(=O)NNC(=O)c3ccc(F)cc3)nnc2-c2ccc(Cl)cc2)c1 8931381 LZIIFTNOMBORFK-UHFFFAOYSA-N 495.967 4.589 50 10 JJGE CCCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(Cl)cc1Br 14032712 KUMLHJSFUPZDEY-UHFFFAOYSA-N 483.790 4.902 50 10 JJGE O=C(NNC(=O)c1ccccc1OCc1ccccc1)c1ccccc1OCCOc1ccccc1 14040620 IEXYMINVMPEVDE-UHFFFAOYSA-N 482.536 4.798 50 10 JJGE CN(C)S(=O)(=O)c1ccc(C(=O)Oc2cccc(/C=C(/C#N)c3cccc(Cl)c3)c2)cc1 31902476 QWVPEQHABNIQJX-MOSHPQCFSA-N 466.946 4.874 50 10 JJGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OC)cc1 38650032 MVRHJWSCLXMAKL-VWLOTQADSA-N 454.482 4.697 50 10 JJGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(SC)cc2)cc1 38682334 GXTXOBFQTMVWAC-RUZDIDTESA-N 474.538 4.620 50 10 JJGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)c1 38701054 FQMBJOOBIIACRI-AREMUKBSSA-N 492.487 4.795 50 10 JJGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1ccccc1C#N 58892084 DHSCATJUAZDBEW-ZMIIAFDNSA-N 483.568 4.838 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCCOc1ccc(C)c(C)c1 101381763 MFWRSABSAZPVGD-JLPGSUDCSA-N 456.542 4.993 50 10 JJGE O=c1[nH]c2ccc([C@H](Cl)c3cc(I)ccc3Br)cc2[nH]1 236041082 RSHIVKQKWMQPPV-ZDUSSCGKSA-N 463.500 4.552 50 10 JJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccccc2F)cc1OC 254312030 PRINHIYAUBTGFU-UHFFFAOYSA-N 472.472 4.979 50 10 JJGE CC(=NNC(=O)c1ccncc1)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c1 254350945 PVMRHPPZBIRVQP-QGZVFWFLSA-N 450.926 4.603 50 10 JJGE ClCCc1nc2cnccc2n1-c1cc(I)ccc1Br 312608097 PVSDKFAZUFTYON-UHFFFAOYSA-N 462.516 4.569 50 10 JJGE Cn1cc(CCCOc2c(Br)cc(Br)cc2CBr)cn1 314285823 KDAVZSHTKMGELL-UHFFFAOYSA-N 466.999 4.852 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2ccc([N+](=O)[O-])cc2F)[C@@H](CI)C1 725415525 LOYXCHAQUPJGKD-YOEHRIQHSA-N 484.265 4.521 50 10 JJGE O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)NC1CCN(C(=O)CC(F)(F)F)CC1 727029416 DXJOSLVBYTXMIF-AWEZNQCLSA-N 477.858 4.971 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc(-n3ccnc3)cc2)c(-c2ccc(Cl)cc2)n1 881081958 IBDMJQMHLWKXME-RGEXLXHISA-N 467.920 4.849 50 10 JJGE COc1cc(Cl)c(C=NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1OC 1084069956 PXUWLYPSTCXNEJ-UHFFFAOYSA-N 458.729 4.533 50 10 JJGE Cc1cc(C(=O)Oc2cccc(C=NNC(=O)c3cc4ccccc4cc3O)c2)ccc1[N+](=O)[O-] 1084144100 ZVDOJAUJUACMMM-UHFFFAOYSA-N 469.453 4.745 50 10 JJGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=CC(Cl)(Cl)Cl 1084421685 TZKDPRJIJXYRKA-UHFFFAOYSA-N 497.839 4.794 50 10 JJGE C=CCn1c(SCC(=O)NNc2c(F)cccc2Cl)nnc1-c1ccc(Cl)cc1 1537686105 UXVKJPOLSPSNIB-UHFFFAOYSA-N 452.342 4.812 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc3ccccc3c2)ccc1OCCc1ccccc1 1772753523 NNUKIAPTAAMZIU-UHFFFAOYSA-N 454.526 4.999 50 10 JJGE C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 1873793578 QVRSOEZIURPBTM-DSKMXOTJSA-N 466.365 4.936 50 10 JJGE O=C1c2ccccc2C(=O)N1CCc1nccn1-c1ccc(CBr)cc1C(F)(F)F 1913030395 KPUCPNMMMVMBIB-UHFFFAOYSA-N 478.268 4.625 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@@H](Br)C12CCC2 1914446046 BSBCOIXHKQTRAT-GFCCVEGCSA-N 451.984 4.744 50 10 JJGE BrCc1ccc(N2CC[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cc1Br 2129053462 NHHHSGGUTJWJKB-RTWAWAEBSA-N 480.244 4.824 50 10 JJGE C=CC[C@](C)(CBr)CNC(=O)c1cc(Br)ccc1Br 2137192984 NNEHJWWEMUOYBD-CQSZACIVSA-N 454.000 4.919 50 10 JJGE Clc1cc(CN2C[C@H]3[C@@H](Br)CCC[C@H]3C2)ccc1I 2142948545 BOQKIQIWSNNNSV-XQQFMLRXSA-N 454.577 4.940 50 10 JJGE CO[C@H]1C[C@@H](Oc2c(Br)cc(Br)cc2CBr)C[C@H]1OC 2187172921 SKLRIVHUQMKNFT-LMKPVCQUSA-N 472.999 4.678 50 10 JJGE Cc1cc(C(=O)N(C)[C@@H]2CCCCC[C@H]2Br)ccc1I 2207105987 WAQGVWPEJQFETE-UKRRQHHQSA-N 450.158 4.768 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1CCCCCI 2214705203 ONRVDXCFNLZLNI-IAGOWNOFSA-N 450.405 4.846 50 10 JJGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(Br)c1 2217392774 DCXWVFCMULZJGO-ZDUSSCGKSA-N 479.209 4.953 50 10 JJGE COc1ccc([C@@H](Br)c2nn(C)c(Br)c2C)cc1I 2269543285 LUZVGAWUAZEERD-LLVKDONJSA-N 499.972 4.589 50 10 JJGE O=C(N[C@]1(CCl)C[C@H]2CC[C@H]1C2)c1cc(Br)ccc1I 2283914609 WLWCZMYIJXUMLH-YHAQOWFVSA-N 468.560 4.581 50 10 JJGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)Nc1ccc(F)cc1 2314532793 MDPWOUBACRMIMF-UHFFFAOYSA-N 454.461 4.788 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 2314620754 UIWWOEGZDPZHFL-UHFFFAOYSA-N 457.417 4.786 50 10 JJGE CCCCCCCOc1ccc(C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 2314620804 VJPZSSBUNCKBQH-UHFFFAOYSA-N 452.551 4.581 50 10 JJGE CCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)OCC)cc1 2314729021 RWAHSBSQHSIAIX-UHFFFAOYSA-N 470.547 4.744 50 10 JJGE Clc1cc(I)c([C@H](Br)[C@@H]2CCn3ccnc3C2)s1 2316605006 DRAMDGSTXAKINW-RDDDGLTNSA-N 457.562 4.901 50 10 JJGE ClCc1nc(OCc2cc(I)ccc2Br)ncc1Cl 2341551622 FKUFCKCJHAUZPQ-UHFFFAOYSA-N 473.923 4.815 50 10 JJGE O=C(NC1CCCCCC1)[C@@H](c1ccc(F)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)CCl 3038723 CQVJERHUHPHHDP-XMMPIXPASA-N 474.960 4.702 50 10 JJGE O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C\c1c(O)ccc2ccccc12 20072649 OPCZICHBWKVXRE-OYKKKHCWSA-N 454.324 4.567 50 10 JJGE CCOc1ccc(NCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N(CC(C)C)CC(C)C)cc1 20075340 DENZGLDEPLOUQB-MZJWZYIUSA-N 469.586 4.674 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)cc1OC 38659639 JWWQRJCEHZLBGT-DEOSSOPVSA-N 460.461 4.670 50 10 JJGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)c1 38684542 SYDPXSDUYAVQMQ-XMMPIXPASA-N 469.453 4.597 50 10 JJGE O=C(COc1ccccc1)N/N=C\c1ccc(Sc2cccc3cccnc23)c([N+](=O)[O-])c1 59392015 UNUGBEFYECEBLX-YSMPRRRNSA-N 458.499 4.823 50 10 JJGE CCOCCCN(C(=O)CCl)[C@@H](C(=O)NC1CCCCCC1)c1ccc(OC(C)C)c(OC)c1 97914908 RSPYIZRKBMMZKP-RUZDIDTESA-N 497.076 4.857 50 10 JJGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C1=O 214254604 FUDSZFMJZIKABQ-XHFXOGKZSA-N 466.541 4.939 50 10 JJGE CCOc1cc(/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCC(C)C 214389439 BHJOVDPNMGWPDJ-FBHDLOMBSA-N 488.540 4.641 50 10 JJGE CCOc1cc(C=NNC(=O)c2cc3ccccc3cc2O)ccc1OC(=O)c1ccc(OC)cc1 254384648 CNPXQTYHCKNVDW-UHFFFAOYSA-N 484.508 4.936 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccccc2OC)cc1 254631717 PTYNMVZXJQHIHV-UHFFFAOYSA-N 498.535 4.995 50 10 JJGE C[C@@H]1CCN(S(=O)(=O)c2cc(CCl)sc2Br)CCN1Cc1ccccc1 382648677 SOGNFYMJZUBEMT-CQSZACIVSA-N 477.877 4.535 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CC[C@H]2CC[C@H](Br)[C@H]1C2 721563426 FGXBMNDAQCQAFW-LJWDBELGSA-N 468.560 4.723 50 10 JJGE COC(=O)c1ccccc1-c1ccc(C=NNC(=O)c2ccccc2NC(=O)c2ccccc2)o1 1081103611 RUZCKPSJOBEBFX-UHFFFAOYSA-N 467.481 4.749 50 10 JJGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)[C@H](C)c2ccc(CC(C)C)cc2)c1C 1083898319 NFUWEEVHCLTSNU-QGZVFWFLSA-N 477.565 4.858 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1cccc(C)c1 1084329675 MRQNDINRQVCTSV-VCHYOVAHSA-N 490.341 4.573 50 10 JJGE C#C[C@@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C)C1CCOCC1 1529522366 UWWCVFMXJDBOEL-GSERBOKHSA-N 456.373 4.853 50 10 JJGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(C(=O)O)cc1)C(C#N)=C(N)O2 1865709238 ROTVFBKAEHUPKQ-IBGZPJMESA-N 469.328 4.717 50 10 JJGE CCc1ccc(-c2ccc(C(=O)NNC(=O)CCc3ccccc3Br)c(C)n2)cc1 1865758813 SICQICZUHHUNFA-UHFFFAOYSA-N 466.379 4.776 50 10 JJGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C[C@@H](CBr)c2ccccc2)C1 1999507183 GIQCLTFQSBWTRX-JOCHJYFZSA-N 489.454 4.649 50 10 JJGE Cc1nn(C)c(Br)c1C(=O)N(Cc1ccccc1)[C@H](CBr)C(C)C 2013206622 ZBMKFNIYQDWWIZ-OAHLLOKOSA-N 457.210 4.553 50 10 JJGE COc1cc(C=C(C#N)S(=O)(=O)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 2053542080 WKCKKRRCDIERDA-UHFFFAOYSA-N 450.472 4.521 50 10 JJGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2Br)CC[C@@H]1CBr 2109036235 ZOIOITKUMFMVEB-NXEZZACHSA-N 454.000 4.705 50 10 JJGE CN(C(=O)c1ccc(Br)cc1I)C1(CCCl)CCC1 2142280216 APTLHASZAKVGDK-UHFFFAOYSA-N 456.549 4.677 50 10 JJGE CCCN1CCC[C@@H]([C@@H](Cl)c2csc(Br)c2Br)S1(=O)=O 2150342039 OYKHYQZKKCRJEQ-ONGXEEELSA-N 465.660 4.757 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC2(CBr)CCC1CC2 2178887003 AUMXAUHOTWDOJJ-UHFFFAOYSA-N 466.011 4.991 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@@H]1C[C@@H](CCl)C2 2184577127 HVBCCLAUMANJGY-WLLOZRIZSA-N 468.560 4.676 50 10 JJGE CCS(=O)(=O)C[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2220158795 XIHSVYPHMIRFDD-SNVBAGLBSA-N 463.029 4.699 50 10 JJGE C[C@@H]1CN(C(=O)c2ccc(Cl)c(I)c2)[C@H](C)C[C@@H]1Br 2268344846 MHODLRPPKCYOQW-KKZNHRDASA-N 456.549 4.579 50 10 JJGE O=C(N[C@]1(CBr)C[C@H]2CC[C@H]1C2)c1csc(Br)c1Br 2268604495 AFCUMNJJETWMNP-UPFKWVMWSA-N 472.040 4.957 50 10 JJGE Cc1ccc(-n2ccnc2CCN2C(=O)c3ccccc3C2=O)c(CBr)c1Cl 2313878713 KIUQDWGHTBKUSH-UHFFFAOYSA-N 458.743 4.568 50 10 JJGE CNC(=O)C(C#N)=C1S[C@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(OC)cc1 2314593639 QJDORFDOLFARQZ-GOSISDBHSA-N 495.910 4.540 50 10 JJGE CC[C@H](C)NC(=O)c1cc2ccc(OC(=O)C(C#N)=Cc3ccc(C(C)C)cc3)cc2oc1=O 2314750954 GTSSUDSYFGNWGR-KRWDZBQOSA-N 458.514 4.957 50 10 JJGE COc1ccc(C)cc1NC(=O)C(C#N)=CN1CCN(C(c2ccccc2)c2ccccc2)CC1 2325361090 DRAYEAPGJFNFAZ-UHFFFAOYSA-N 466.585 4.757 50 10 JJGE Cc1nc(Br)c([C@@H](Br)[C@H](C)c2ccncc2Br)n1C 2337270981 RAUHNMYWDHCGMT-HQJQHLMTSA-N 451.988 4.888 50 10 JJGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1ccc(F)c(F)c1F 2338720379 QKWODWXPPLFESN-LURJTMIESA-N 462.889 4.847 50 10 JJGE C[C@@H]1CC[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)[C@@H](OCc2ccccc2)C1 2349646044 LMVMAXMUXKMOMQ-WWEVIYMKSA-N 498.711 4.711 50 10 JJGE O=C(N[C@H]1C[C@@H](CBr)C12CCC2)c1cc(Cl)ccc1I 2379720443 PDLJHIIBKRGKCG-ZANVPECISA-N 468.560 4.628 50 10 JJGE CCn1nc(Br)c(C[C@H](CBr)Cc2ccc(Br)cc2)n1 2379919579 IZEPMNYIAMDZSF-LLVKDONJSA-N 466.015 4.619 50 10 JJGE COC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C(C)C)c(C)c2)c(OC)c1 2609752 GPKYZXXOKMJMAQ-XSFVSMFZSA-N 451.519 4.972 50 10 JJGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1 14643013 NQNSOLSEIRKYAK-KRWDZBQOSA-N 467.363 4.961 50 10 JJGE O=C(NNc1ncnc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-])c1ccccc1Cl 40646581 ZDSWULCZAKJKRD-UHFFFAOYSA-N 453.673 4.846 50 10 JJGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1 102863411 UXNNPFRSELQLAI-QFXGEWDLSA-N 458.587 4.853 50 10 JJGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN/C=C2\C=Nc3ccccc32)cc1 136203193 OZUVGFNFRGZDMM-BYUYTYKJSA-N 479.584 4.682 50 10 JJGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OCC)cc1 206687391 DTTYNBOOUBUMTA-NDWUGUBKSA-N 486.524 4.919 50 10 JJGE Cc1nnc(SCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)n1-c1ccccc1 254378183 NAMILRDHCMCSJZ-UHFFFAOYSA-N 493.596 4.671 50 10 JJGE Cc1ccc(N(CC(=O)NN=Cc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1C 254381300 KNLJLYBGOXBYRZ-UHFFFAOYSA-N 489.519 4.668 50 10 JJGE FC(F)c1nc(-c2ncc(Br)cc2Br)ncc1CBr 305904972 DWASTEFFVNJQIW-UHFFFAOYSA-N 457.898 4.896 50 10 JJGE COc1cccc(F)c1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382684068 GBDFXGIFLVWAOF-JKSUJKDBSA-N 469.294 4.622 50 10 JJGE C[C@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@@H](C)[C@@H]1Br 688134411 NVDFFPXKTOZQHI-MTBHXBHISA-N 460.029 4.765 50 10 JJGE O=C(NC1(CBr)CCCCCCC1)c1ccccc1I 713448465 ANGMRCKEYKFFNZ-UHFFFAOYSA-N 450.158 4.899 50 10 JJGE C[C@H]1C[C@@H]([C@@H](Br)c2cc(I)cc3c2OCC3)C[C@@H](C)O1 724425088 RVXKSNMWYXTGKW-GOMXZESMSA-N 451.142 4.866 50 10 JJGE O=C(N[C@H](CCBr)C1CCCCC1)c1csc(I)c1 725058772 HKZCODJUAHROTD-GFCCVEGCSA-N 456.187 4.816 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc(F)cc2)c(-c2ccc(Cl)cc2)n1 782093945 BSILBZPJPHMPAU-LDADJPATSA-N 462.868 4.589 50 10 JJGE COc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)c1 1772751337 OKWMHHOMXNCFCU-UHFFFAOYSA-N 468.513 4.868 50 10 JJGE N#C/C(=C\c1cccc(Br)c1)C(=O)NC[C@H](c1ccccc1)S(=O)(=O)c1ccccc1 1866130897 ROKNKHBVHWCBFP-POEBIKTISA-N 495.398 4.687 50 10 JJGE CC[C@@](C)(NC(=O)Cc1nc(-c2ccc(OC)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866677524 FRTXGVHWJJVLLF-RUZDIDTESA-N 478.574 4.698 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@]2(CCC[C@@H]2Br)C1 1918949641 YSJCQQNSDGBCNJ-SWLSCSKDSA-N 466.011 4.991 50 10 JJGE O=C(N[C@H](CBr)CC1CCCCC1)c1cccc(I)c1 1926778597 SRNOKCNTWZEJBO-HNNXBMFYSA-N 450.158 4.755 50 10 JJGE CCOc1c(Br)cc(Br)cc1CNN(C)C(=O)OCc1ccccc1 1928214576 GGOFGUISEXFPEZ-UHFFFAOYSA-N 472.177 4.884 50 10 JJGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CCCl)cc1)Cc1ccccc1 1946820822 CGRBRYGPQVYYHC-UHFFFAOYSA-N 457.039 4.791 50 10 JJGE C[C@H](NCCSSCCNC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)OC(C)(C)C 1985350820 WOXTYJQQQJNZQW-DLBZAZTESA-N 463.710 4.660 50 10 JJGE CC[C@H](C)[C@@H](CI)NC(=O)c1cc(Br)c(Br)s1 2023038204 SRJZZYBZRPHMIJ-POYBYMJQSA-N 495.018 4.853 50 10 JJGE C[C@H]1CC[C@@H](CBr)CN1C(=O)c1csc(Br)c1Br 2032958919 PGYGKCTZXFUCKL-YUMQZZPRSA-N 460.029 4.909 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCCN(C(=O)OC(C)(C)C)CCC1(F)F 2076316963 MRSQWRFUUWRINK-MRXNPFEDSA-N 499.690 4.907 50 10 JJGE C[C@H]1C[C@H](Cl)CCN(C(=O)c2cc(I)ccc2Br)C1 2103283381 BZAZFLBRWQCLFO-VHSXEESVSA-N 456.549 4.533 50 10 JJGE CC1(C)CC[C@H](CCl)N1C(=O)c1ccc(I)c(Br)c1 2140854750 XGSQXVLHNPRJRI-SNVBAGLBSA-N 456.549 4.676 50 10 JJGE CN(C(=O)c1cc(Br)cc(Br)c1)[C@@H](CCBr)C(F)(F)F 2178515551 MTSAKXWMWBWYTJ-JTQLQIEISA-N 481.932 5.000 50 10 JJGE O=C(c1c(Br)cccc1Br)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Br)C2 2190669313 BMUGAVHDJXFDHD-IRDCDUOOSA-N 469.974 4.690 50 10 JJGE Cc1ccc(I)c(C(=O)N[C@H](CCBr)C2CCCC2)c1 2240901561 QNNJQKWKEYRHGZ-OAHLLOKOSA-N 450.158 4.673 50 10 JJGE Cc1cccc(C[C@@H]2SC(=C(C#N)C(=O)NCCc3ccccc3)N(c3ccc(F)cc3)C2=O)c1 2293039147 INLNTABMIMQIFQ-VWLOTQADSA-N 485.584 4.919 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=CC=Cc3ccccc3)n2-c2ccccc2)cc1 2293520729 ZYVJJWFTZJFKKK-UHFFFAOYSA-N 469.570 4.850 50 10 JJGE COc1cc(C=NNC(=O)c2ccc(-c3ccc(C)cc3)nc2C)cc(Br)c1O 2321239109 HDUDNTOSODFBIN-UHFFFAOYSA-N 454.324 4.606 50 10 JJGE C[C@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)CC1=O 2331330825 JAHHYKFLDXUQLL-VQIMIIECSA-N 473.554 4.984 50 10 JJGE CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]32)C1 2333224390 CSKDQVBRIWZGLL-HRFMKDBOSA-N 456.364 4.865 50 10 JJGE O=C(NNC(=O)c1ccccc1OCCOc1ccccc1)c1ccc(-c2ccccc2)cc1 14040549 FYJSBEUZTOGSCN-UHFFFAOYSA-N 452.510 4.886 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)c(OC)c1 38656999 KTVGGPMIXDRGRQ-SANMLTNESA-N 486.524 4.928 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1 38685843 RCBXLKNHGPJWNO-IVCQMTBJSA-N 474.488 4.815 50 10 JJGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1 38687142 PBTFMHMZEFMTCW-UIOOFZCWSA-N 482.536 4.948 50 10 JJGE O=C(NNc1ncnc(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-])c1ccc(Cl)cc1 40657868 NUCYVFRYGPDLSD-UHFFFAOYSA-N 488.213 4.606 50 10 JJGE COc1cccc(O[C@H](C)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)c1 40960952 HDPLGRDRCKNZNO-CIRUFVMISA-N 483.362 4.954 50 10 JJGE C/C(=N\NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccccc1O 102512858 QWXOYHZRGPCAJQ-CIAFOILYSA-N 465.025 4.822 50 10 JJGE CN1/C(=C/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)C(C)(C)c2ccccc21 103311765 JNFJCQDGQMLXFU-IVYNUYEBSA-N 480.615 4.576 50 10 JJGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2cccc(C(C)C)c2)c(OC)c1 207142572 PBNLHKVUHKNDQM-BKUYFWCQSA-N 450.535 4.626 50 10 JJGE COc1ccccc1N[C@H](C)C(=O)NN=Cc1ccccc1OCc1cccc(Br)c1 251524026 BPRUALHCBVHCOB-QGZVFWFLSA-N 482.378 4.987 50 10 JJGE aggregator O=C(CNC(=O)c1ccccc1Br)NN=Cc1c2ccccc2cc2ccccc12 252609831 HVRRDBAFOVTXFV-UHFFFAOYSA-N 460.331 4.636 50 10 JJGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(C)c(C)c2C)c2ccc(C)cc2)cc1 252626882 RHNTVSCHNBADIO-UHFFFAOYSA-N 493.629 4.665 50 10 JJGE COc1ccc(C=NNC(=O)c2ccccc2O)cc1COc1ccc(C(=O)OCC(C)C)cc1 254524548 SARMVBHAXCQKGZ-UHFFFAOYSA-N 476.529 4.557 50 10 JJGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=CC3=CC[C@H]4C[C@H]3C4(C)C)cc2)cc1 254808837 PUTMZEMQPVKZET-WMZHIEFXSA-N 467.591 4.594 50 10 JJGE O=C(N[C@H]1CCC[C@@H](CBr)C1)c1ccc(Br)cc1Br 311391094 CZRXDXTZEKPMLT-KOLCDFICSA-N 454.000 4.895 50 10 JJGE O=C(N[C@H]1CCC[C@@H](CBr)C1)c1cc(Br)cc(Br)c1 311456753 DSMJIMVOJMRTCU-RNCFNFMXSA-N 454.000 4.895 50 10 JJGE CC(C)(C)C[C@H](CCl)NC(=O)c1cc(I)ccc1Br 393456851 JMWBYVOWBHIYBZ-SNVBAGLBSA-N 458.565 4.827 50 10 JJGE Cc1oc(C=NNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1Br 1083846945 MIQKNGXQRJAFPZ-HSZRJFAPSA-N 498.402 4.889 50 10 JJGE Cc1ccc(OCC(=O)NN=Cc2cccc(OCc3ccccc3)c2)c(Br)c1 1084043621 LGOZMFKYYCUGJT-UHFFFAOYSA-N 453.336 4.866 50 10 JJGE COCc1cc(C)nc(OCC(=O)NN=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)c1C#N 1084304040 WXILIMPGIJSDRY-UHFFFAOYSA-N 473.316 4.504 50 10 JJGE CCCOc1ccc(C=NNC(=O)COc2ccc(Br)cc2Br)cc1 1772754629 MBHVGQQZCDVTIX-UHFFFAOYSA-N 470.161 4.530 50 10 JJGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1Cl 1865693123 LJXDBWVJWBXFDW-OAQYLSRUSA-N 450.926 4.850 50 10 JJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865701234 PPVFMWZFJFAMLQ-IBGZPJMESA-N 471.344 4.977 50 10 JJGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865707686 DCGKXIFQEBFQAR-NRFANRHFSA-N 468.916 4.522 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865713025 OSDCKAKSOCOHDD-XMMPIXPASA-N 482.515 4.973 50 10 JJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2cc(-c3ccccc3)on2)cc1 1866822552 AIZGGOLKSARCJT-JOCHJYFZSA-N 484.537 4.600 50 10 JJGE Cc1ccccc1COc1ccccc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C 1873795002 MTRAWVXYFUWZNV-PSZYXBCASA-N 453.583 4.964 50 10 JJGE O=C(N[C@H](CBr)CC1CCCCC1)c1ccccc1I 1926775687 KISSBUDDQWAFSX-ZDUSSCGKSA-N 450.158 4.755 50 10 JJGE C[C@H]1C[C@H](CBr)CCN1C(=O)c1cc(Br)sc1Br 2052361675 WLVJHVPXCVWMLK-JGVFFNPUSA-N 460.029 4.909 50 10 JJGE CN(C(=O)c1cc(Br)sc1Br)[C@H](CCBr)C(F)F 2058233798 LDYRXGKYFGMLME-ZCFIWIBFSA-N 469.971 4.764 50 10 JJGE CCC(CC)(CBr)NC(=O)c1ccc(Br)cc1I 2086147214 KQDCGIRJIWNVBP-UHFFFAOYSA-N 488.989 4.737 50 10 JJGE Cn1cc(Br)c(C[C@H](CBr)Cc2ccc(Br)cc2)n1 2087325521 OWDYCMIREBKKTQ-LLVKDONJSA-N 451.000 4.741 50 10 JJGE Cc1ccccc1C(CBr)(CBr)Cc1nn(C)cc1Br 2143635097 RHMYOXVJAIXHIE-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE CCCN1CCC[C@H]([C@H](Br)c2ccccc2OCc2ccccc2)S1(=O)=O 2145774010 DGVXCVVOUACIGU-NHCUHLMSSA-N 452.414 4.906 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CC2(CC[C@@H]1CBr)CC2 2154165197 AEXSLVOPUUJGRW-LLVKDONJSA-N 468.560 4.724 50 10 JJGE Fc1cc2c(cc1I)nc(CCl)n2C[C@@]1(Br)CC1(F)F 2202507100 UUEPTDJEHJUPHK-NSHDSACASA-N 479.465 4.692 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1cccc(Br)c1Br 2204578889 MHVFDARSJNNYPP-RBJBARPLSA-N 466.011 4.894 50 10 JJGE CC(C)(C)[C@H](Br)CNC(=O)Cc1cc(Br)cc(Br)c1 2277913846 BXRHYOMHXRJMEI-GFCCVEGCSA-N 456.016 4.680 50 10 JJGE FC(F)(CBr)CCNCc1ccc(I)c(Br)c1 2306228212 PLTFHCILTCXODH-UHFFFAOYSA-N 482.932 4.564 50 10 JJGE Cc1ccc2c(O)nc(C(C#N)=Cc3cc([N+](=O)[O-])ccc3OCC(=O)Nc3ccccc3)nc2c1 2314487604 GIIFDCAOAHHYPZ-UHFFFAOYSA-N 481.468 4.634 50 10 JJGE CNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C)c(C)c1 2314592719 AHSJNOPEVPSVAM-IBGZPJMESA-N 460.386 4.783 50 10 JJGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 2314617774 AKVQRXSSYPWHBG-XMMPIXPASA-N 492.579 4.927 50 10 JJGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)cc1OC 2314729104 WEQRFMTXPQBPCP-UHFFFAOYSA-N 494.544 4.773 50 10 JJGE C[C@@H]1[C@H](Br)CCN(C(=O)c2csc(Br)c2Br)[C@@H]1C 2321281427 BBRLXPLMGMCQBZ-LKEWCRSYSA-N 460.029 4.907 50 10 JJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2cc(Br)sc2Br)[C@@H]1C 2321284636 HITCQJRGNVDOEJ-OOZYFLPDSA-N 460.029 4.907 50 10 JJGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CNCc1ccccc1Br 2325311279 XFLMVSSIMKXWPM-UHFFFAOYSA-N 456.340 4.542 50 10 JJGE Clc1ccc(I)cc1CN1CCS[C@H](CCBr)C1 2327402566 HSMQBNJLZGSIIZ-GFCCVEGCSA-N 460.606 4.647 50 10 JJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1 9229485 QWUAZJCEVGUETR-UBKPWBPPSA-N 486.528 4.619 50 10 JJGE CCOc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Br 14770353 RLXCYQQFRTVVRQ-UHFFFAOYSA-N 490.181 4.775 50 10 JJGE O=C(N/N=C/c1cc(Br)ccc1O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 27520899 XXPHSTQMCYJPDH-BRJLIKDPSA-N 494.172 4.848 50 10 JJGE CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc1 34792618 CZJFWVGFARWBJQ-ABSINIAXSA-N 470.573 4.776 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1OC 38659454 ZCRRYJWINRLJHG-VWLOTQADSA-N 472.497 4.540 50 10 JJGE COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)c1 39858812 OMLNVYVNAPDQHP-ZHZULCJRSA-N 480.524 4.966 50 10 JJGE CC(=NNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1)c1cccc(Br)c1 252627608 RXTAQVIXFUPAJR-IXKTZPFVSA-N 462.347 4.760 50 10 JJGE CCC(=NNC(=O)CNc1c(Br)cc(Br)cc1Br)C(C)C 254799678 HQSFPENVFKUIKH-UHFFFAOYSA-N 484.030 4.924 50 10 JJGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C(C)C)cc3)nc3ccccc3c2=O)cc1 254825783 OVWHZCGPAOXJBS-UHFFFAOYSA-N 486.597 4.760 50 10 JJGE CC(C)N(CCOCCBr)C(=O)c1cc(Br)c(Br)s1 388753944 FDDTZXBDNOZRPR-UHFFFAOYSA-N 478.044 4.535 50 10 JJGE FC(F)(F)c1cnc(N2CCCCC[C@@H]2CBr)c(I)c1 686110528 CAHFRHPXYVIFQO-SNVBAGLBSA-N 463.079 4.849 50 10 JJGE C[C@]1(CCl)CCCN(C(=O)c2cc(Br)ccc2I)C1 688123987 QGKTZFVVRHPEAW-CQSZACIVSA-N 456.549 4.535 50 10 JJGE O=C(NCc1ccccc1Oc1cccc(F)c1)NNC(=O)c1ccc(Br)cc1 1251713723 QSSIWTGWCDRHJM-UHFFFAOYSA-N 458.287 4.525 50 10 JJGE CC(=O)c1c(C)[nH]c(C(=O)NNc2c(Br)cccc2Br)c1C(C)C 1617859276 XHCDUPSWPSSFAI-UHFFFAOYSA-N 457.166 4.931 50 10 JJGE COc1cccc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1OCc1c(Cl)cccc1Cl 1873794377 GJUMXJXWDDQVGQ-IETDBYTCSA-N 496.391 4.944 50 10 JJGE Brc1cc(Br)c(OC[C@@H]2C[C@H]2Br)c(CNC2CC2)c1 1887832693 ITIRAKSRIASGDK-JOYOIKCWSA-N 454.000 4.626 50 10 JJGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1CC(C)(C)CI 1904654329 WJOBUGCDSFCRBD-OALUTQOASA-N 472.411 4.959 50 10 JJGE CN(C[C@@H]1C[C@@H]1Br)C(=O)c1ccc(Br)c(NC(=O)OC(C)(C)C)c1 1910142156 DPMUQAOPURELLA-AAEUAGOBSA-N 462.182 4.652 50 10 JJGE CC[C@H](C)[C@H](Br)CNC(=O)c1ccc(I)c(Br)c1 2029970722 JJDBJOIOTSDDAT-GZMMTYOYSA-N 488.989 4.593 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CC[C@H](Br)[C@H]1C1CC1 2067018093 WAFDVBYGVAKAOZ-WCBMZHEXSA-N 458.013 4.661 50 10 JJGE O=C(N[C@H]1C[C@@H]([C@@H](F)CBr)C1)c1csc(Br)c1Br 2078361931 GTTPWCYGGFAGJY-BBVRLYRLSA-N 463.992 4.515 50 10 JJGE C[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2Cl)[C@H](C)CN1Cc1ccccc1 2179792617 IOFAKEPQTLNGCH-HZPDHXFCSA-N 471.848 4.518 50 10 JJGE CC(C)(C)[C@H]1[C@H](Br)CCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2185112177 ZWZQISSAGZHEHU-GMSGAONNSA-N 465.660 4.737 50 10 JJGE BrC[C@@H]1C[C@@H]2OCCN(Cc3cccc(Br)c3Br)[C@@H]2C1 2199761126 AVYYMTNCWCYDME-GDLCADMTSA-N 468.027 4.586 50 10 JJGE Cc1c(Br)csc1C(=O)N(C)C[C@H](Br)COCc1ccccc1 2210635474 KEFDOCLEVWEFKE-AWEZNQCLSA-N 461.219 4.871 50 10 JJGE BrCCC[C@@H]1CCCN(c2ncc(I)cc2Br)C1 2218750980 SSCPOVUIMSNQJN-SNVBAGLBSA-N 488.005 4.840 50 10 JJGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C[C@H](Br)C1 2241638078 SETINJWEUUNPLY-WKILWMFISA-N 471.395 4.593 50 10 JJGE COc1cc(OC)c([C@H](Br)c2csc(I)c2)cc1OC 2289382476 CDLJBKHTXOQHEK-CQSZACIVSA-N 469.138 4.863 50 10 JJGE CCOc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OC 2297296059 AOJNEMXJJXPJEB-UHFFFAOYSA-N 459.287 4.947 50 10 JJGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(F)cc2)c(C)c1 2314531736 DPVWYPJDACINJY-UHFFFAOYSA-N 454.461 4.788 50 10 JJGE COc1cc(C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314617795 AXFGIKNUCVKMDE-UHFFFAOYSA-N 488.584 4.990 50 10 JJGE CC(C)(CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1I)Cc1ccccc1 2316845402 KXRNCEKVZVPWIN-IRXDYDNUSA-N 459.368 4.695 50 10 JJGE O=S(=O)(N[C@H](CCCl)COCc1ccccc1)c1c(Cl)cccc1Br 2320659943 KDNHLFWQWCPZQD-CQSZACIVSA-N 467.212 4.595 50 10 JJGE CCOc1cc(OCC)c([N+](=O)[O-])cc1C=NNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 2323153287 UGEVATBVUGGXOC-UHFFFAOYSA-N 450.495 4.516 50 10 JJGE FC(F)(F)C[C@H](CCl)NCc1ccc(I)c(Br)c1 2325225833 JLVBOVYBIOBTRR-MRVPVSSYSA-N 456.471 4.703 50 10 JJGE COCc1cc(Br)c([C@@H](Br)c2c(Br)nc(C)n2C)s1 2337281298 OWVHWUYIELOKBA-VIFPVBQESA-N 473.028 4.946 50 10 JJGE CCCO[C@@H]1[C@@H](Br)C[C@@H]1OCc1cc(I)ccc1Cl 2352249792 YRMGSQUNCISMTH-FPMFFAJLSA-N 459.549 4.792 50 10 JJGE CC1CC(CBr)(CN2C[C@@H]3CC(F)(F)CC[C@]3(NC(=O)OC(C)(C)C)C2)C1 2370173995 CYPOGKBTLNPDMH-ZVKBKPGUSA-N 451.396 4.812 50 10 JJGE CC1(C)CC(CBr)(CN2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)C1 2371132901 IFYMSFHULWUCHR-KBPBESRZSA-N 457.375 4.823 50 10 JJGE O=NN(CCCl)C(=O)Nc1ccc(Oc2ccc(NC(=O)N(CCCl)N=O)cc2)cc1 4933727 FBGDEAXYSCTNKD-UHFFFAOYSA-N 469.285 4.987 50 10 JJGE O=C(COc1ccc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1)Nc1ccccc1 8451674 WOXJOPYZWLWFPQ-UHFFFAOYSA-N 492.329 4.977 50 10 JJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CCCC)cc2)cc1 14029188 XIHDLSTYJBRLNA-UHFFFAOYSA-N 498.649 4.724 50 10 JJGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 38654968 RBVGABCEGIIDAU-SANMLTNESA-N 485.496 4.921 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1OCC 38679069 AUISJDFNCRECPI-HHHXNRCGSA-N 486.524 4.687 50 10 JJGE Cc1ccc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])cc1Cl 40591036 QAMLGWIZNHWYRN-UHFFFAOYSA-N 477.706 4.610 50 10 JJGE COc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813347 NSTACZPTCZCUHN-OVVQPSECSA-N 451.910 4.973 50 10 JJGE N#C/C(=C\c1c[nH]c2ccccc12)C(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2 45162862 KXPQJHWADLBGQW-FXFXYLOPSA-N 474.586 4.563 50 10 JJGE O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1ccc(Cl)cc1 59167433 UJLJLKWNOPTTDV-QLYXXIJNSA-N 482.765 4.826 50 10 JJGE CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)CCl)cc1OC 97914660 XGVAOXNQOGLSBZ-HSZRJFAPSA-N 479.042 4.913 50 10 JJGE O=C1Cc2cc([C@H](Br)c3cccc(I)c3)c(Cl)cc2N1 109873148 ZKZHDQICIZKPAI-OAHLLOKOSA-N 462.512 4.924 50 10 JJGE CCn1c(=O)oc2cc([C@@H](Br)c3cccc(I)c3)ccc21 109880499 VSWHECIXVYXZCG-HNNXBMFYSA-N 458.093 4.703 50 10 JJGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(C)cc2)c(OC)c1 207143515 YILCEKGOFWCQAH-PGMHBOJBSA-N 450.535 4.592 50 10 JJGE CN(C(=O)c1cc(Br)ccc1I)[C@@H]1CCCC[C@H]1Cl 234295170 WUMHJVJJDHTAJV-DGCLKSJQSA-N 456.549 4.676 50 10 JJGE O=C(NCCCCCCI)c1cc(Cl)ccc1I 236048531 UWCKOQBGZBTXJH-UHFFFAOYSA-N 491.538 4.670 50 10 JJGE O=C(NN=Cc1cc(Br)ccc1O)/C(=C\c1ccccc1)NC(=O)c1ccccc1Cl 252621901 NJONNBOIFGQGPQ-GPCCHUJTSA-N 498.764 4.729 50 10 JJGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2ccccc2C)cc1 254792535 WSTMXRVRMIAMEE-UHFFFAOYSA-N 465.509 4.765 50 10 JJGE O=C(Cn1cnc2sccc2c1=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 255225305 VJGPJWYRSKEWMA-UHFFFAOYSA-N 456.449 4.544 50 10 JJGE Cn1ncc([C@@H](Br)c2cc(F)c(Br)cc2F)c1I 379205195 JQWWIIVHKGHATD-JTQLQIEISA-N 491.899 4.550 50 10 JJGE C[C@H](CCCCBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 398603001 VCDUYKNDNGGJMD-MRVPVSSYSA-N 468.038 4.988 50 10 JJGE CN(C(=O)c1cc(I)ccc1Br)[C@@H](CCl)C(C)(C)C 689247092 LYTJPNZGGGSBPR-LBPRGKRZSA-N 458.565 4.779 50 10 JJGE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1c(Cl)cccc1Br 1161586301 CAOAZOWOCANTBF-LBPRGKRZSA-N 453.164 4.582 50 10 JJGE CCc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc1 1772747117 INYIQACLMRGQIA-UHFFFAOYSA-N 475.501 4.677 50 10 JJGE O=C(NNS(=O)(=O)c1ccc(Br)cc1)c1ccc(-c2ccc3ccccc3c2)s1 1860405162 FGZOLVUJYBRVTO-UHFFFAOYSA-N 487.400 4.954 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)cc1O 1865681863 YSLOKSVZTMEXDA-QFIPXVFZSA-N 470.916 4.881 50 10 JJGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714300 GSXBLPMHBJRVDK-IBGZPJMESA-N 486.315 4.964 50 10 JJGE Cc1ccc(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1[N+](=O)[O-] 1865759316 UEZKUHOUVRSGRB-UHFFFAOYSA-N 459.289 4.655 50 10 JJGE N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866129030 YSJTUNTUERXFHJ-NTCAYCPXSA-N 457.283 4.770 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 1872746193 XDXJNRHNENPZQH-JZJYNLBNSA-N 490.497 4.596 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@H](Br)Cc1ccc(Cl)c(Br)c1F 1905372012 QXNUWKXABWXIGN-SNVBAGLBSA-N 475.539 4.844 50 10 JJGE O=C(NCC1CCC(CBr)CC1)c1cc(Cl)ccc1I 1922697442 QBTFPTSZNDNPSQ-UHFFFAOYSA-N 470.576 4.876 50 10 JJGE CN(C[C@H]1CCC[C@H]1Br)C(=O)c1csc(Br)c1Br 2032955728 DNXRGRVTDWSBMK-VXNVDRBHSA-N 460.029 4.909 50 10 JJGE CC[C@@H]1[C@@H](CBr)CCN1C(=O)c1csc(Br)c1Br 2032959139 VEXFGUXNHRAEOC-VXNVDRBHSA-N 460.029 4.909 50 10 JJGE CC(C)[C@H](Br)CN(C)C(=O)c1ccc(Br)cc1I 2086149646 QFVKETRXWSPOSL-LLVKDONJSA-N 488.989 4.545 50 10 JJGE Cc1ccc(COc2c(Br)cc(CBr)cc2Br)nn1 2089437592 GTIIKQDCEDEGOB-UHFFFAOYSA-N 450.956 4.784 50 10 JJGE O=C(NC1CCC(CBr)CC1)c1c(Br)cccc1Br 2094088906 QJTKAVPDNAMRBG-UHFFFAOYSA-N 454.000 4.895 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1[C@H]2CC[C@@H]1C[C@H](Br)C2 2098700306 VZDBTTURXJXQIR-JGPRNRPPSA-N 451.984 4.742 50 10 JJGE Cc1cc(Br)c(CBr)c(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1 2116837721 ZSLBCAWPWKPQKF-NHCUHLMSSA-N 480.244 4.742 50 10 JJGE Cc1c(Br)ccc([C@H](Br)C2CCS(=O)(=O)CC2)c1Br 2138866724 VEMPTZXMQVHAKX-CYBMUJFWSA-N 475.040 4.781 50 10 JJGE CC[C@@H]1CN(C(=O)c2cccc(Br)c2Br)C[C@H]1CBr 2140786348 PHBSIPYWTQXRDY-NXEZZACHSA-N 454.000 4.705 50 10 JJGE COc1c(C)cc(Br)cc1[C@H](Br)c1cn(C)nc1Br 2141645631 KRFDVYVCORHYAY-NSHDSACASA-N 452.972 4.746 50 10 JJGE Cc1cccc(C(=O)N[C@H]2CCCC[C@@H]2CCBr)c1I 2146717995 FPDDCKGSLYUDFV-OCCSQVGLSA-N 450.158 4.673 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CC[C@H](CCl)C12CCC2 2190347852 RPZDANZZOSFXJS-SNVBAGLBSA-N 468.560 4.677 50 10 JJGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)Cc1cccc(Br)c1 2213760218 BTIVIQLIKURQAR-KRWDZBQOSA-N 475.246 4.955 50 10 JJGE Cc1c(Br)sc([C@@H](Cl)c2nn(C)nc2Br)c1Br 2214373302 QOCOYSZSYUVZDZ-YFKPBYRVSA-N 464.408 4.801 50 10 JJGE Cc1ccccc1CCO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2263390056 XHDIWASVXLVYGL-FQEVSTJZSA-N 459.368 4.759 50 10 JJGE C[C@@H]1CC[C@H](CBr)N(C(=O)c2ccc(Cl)c(I)c2)C1 2268340230 KWJYUWSWXAQRQD-MWLCHTKSSA-N 456.549 4.580 50 10 JJGE Cc1c(Br)ccc([C@@H](Br)C2CC(S(C)(=O)=O)C2)c1Br 2269761811 NCICDKPXAGLYKZ-RPTIHFLNSA-N 475.040 4.779 50 10 JJGE C[C@@H](Cl)CN(C(=O)c1cc(I)ccc1Br)C1CCC1 2272427313 ZMOHBSWXCWYUMT-SECBINFHSA-N 456.549 4.676 50 10 JJGE N#CC(=CNc1ccccc1C(N)=O)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2295934390 OZJMQRYHXRBHKZ-UHFFFAOYSA-N 493.342 4.754 50 10 JJGE COc1ccc(CCO[C@](C)(CBr)CNC(=O)OC(C)(C)C)c(Br)c1 2317133733 VSSNCJJZJBGNHT-GOSISDBHSA-N 481.225 4.695 50 10 JJGE CCCOc1c(Cl)cc(C=NNC(=O)c2cc(-c3cccs3)nc(O)n2)cc1Cl 2323701248 VZNANNZGGIQRSS-UHFFFAOYSA-N 451.335 4.770 50 10 JJGE Brc1cc(CN2C[C@H]3[C@@H](Br)CC[C@H]3C2)ccc1I 2325208359 VQWNMVIAJCTJIF-TUAOUCFPSA-N 485.001 4.659 50 10 JJGE C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 2328818653 BZSNSTJVJSXZMZ-KRWDZBQOSA-N 465.525 4.921 50 10 JJGE COc1ccccc1-c1csc(C(C#N)=C(O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 2331282414 RFAPZUVBACMWOV-UHFFFAOYSA-N 490.497 4.596 50 10 JJGE FC(F)(CBr)C(F)(F)CNCc1ccc(Cl)c(I)c1 2337221576 QLYDDCMRBGMTFU-UHFFFAOYSA-N 474.461 4.700 50 10 JJGE CN([C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12)S(=O)(=O)c1cc(CBr)cs1 2357090849 CSQJIJGRVDHBCR-VJANTYMQSA-N 470.454 4.647 50 10 JJGE CC[C@H](NCCSSCCNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363828421 FAVABCSPTXLARL-FQEVSTJZSA-N 496.548 4.933 50 10 JJGE Cc1cccc(N(C)Cc2c(Br)c(Br)nn2C)c1CBr 2364375675 CALWDCZVDBOCKD-UHFFFAOYSA-N 466.015 4.785 50 10 JJGE Cc1ccc(NCc2nnc(S[C@@H](C)C(=O)NN=Cc3ccc(F)cc3)n2-c2ccccc2)cc1 8576088 KFNVAFXIQUTRGM-IBGZPJMESA-N 488.592 4.958 50 10 JJGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 12577106 VPRBTIFDSHINTR-UHFFFAOYSA-N 486.783 4.681 50 10 JJGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(O)cc2)CCC3)ccc1Cl 40812124 DSEUFVFSIYFLFM-LGUFXXKBSA-N 452.894 4.945 50 10 JJGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1ccccc1O 58988000 CWHLMYQGIFWZQC-VFCFBJKWSA-N 485.613 4.781 50 10 JJGE CC1=C(C(=O)N/N=C/c2ccc(Cl)cc2Cl)[C@H](c2ccc(Br)cc2)NC(=O)N1 59385519 IXVGRAJECBNFGV-OYCFWJGQSA-N 482.165 4.534 50 10 JJGE CN1C(=O)CCc2cc([C@H](Br)c3ccc(I)cc3)ccc21 62807030 LGKJOJQZZYSKIN-QGZVFWFLSA-N 456.121 4.685 50 10 JJGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCCC[C@H]1CBr 147393041 PLCKEIHNMYFUJA-VIFPVBQESA-N 466.022 4.694 50 10 JJGE C[C@@H](N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)[C@H]1C[C@H]2CC[C@H]1C2 253321411 UTQCVMLLJMWEHS-WXVCSEPOSA-N 468.645 4.742 50 10 JJGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(Br)o1 254489853 JDRYSMXWTTZHLO-UHFFFAOYSA-N 453.271 4.798 50 10 JJGE aggregator CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NN=Cc2cccc3ccccc23)cc1 254591590 OAYNDBGWFFFISS-UHFFFAOYSA-N 457.555 4.570 50 10 JJGE O=C(N[C@H](CBr)C1CCCC1)c1cc(Br)cc(Br)c1 395414116 DTGNBUDWYIZPMJ-CYBMUJFWSA-N 454.000 4.895 50 10 JJGE C[C@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@H](C)C1Br 688074621 FOIAPQNFDYGOLC-IUCAKERBSA-N 454.000 4.703 50 10 JJGE O=C(N[C@@H](CBr)CC(F)(F)F)c1scc(Br)c1Br 717730501 ZPMNUMFDRGPWFR-SCSAIBSYSA-N 473.934 4.719 50 10 JJGE Cc1ccc(OCC(=O)NN=C2C(=O)N(C/C=C\c3ccccc3)c3ccccc32)cc1Cl 1083993167 ZSUVXIZSVQDLAU-ZKHSWEJASA-N 459.933 4.608 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccccc1Cl 1084440830 CJSKWDALRPSICE-UHFFFAOYSA-N 473.758 4.599 50 10 JJGE C#C[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C)C1CCOCC1 1461708044 AVPUPMNKWBJUBG-YMFQVDJJSA-N 456.373 4.853 50 10 JJGE Cc1c(C(=O)NNC(C)(C)C)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748031 HRXGQVNUYPMZJO-UHFFFAOYSA-N 472.589 4.610 50 10 JJGE C[C@@H]1CN(C(=O)c2scc(Br)c2Br)CC[C@H]1CBr 2046673222 SBMPZLWPQDFCDV-SFYZADRCSA-N 460.029 4.766 50 10 JJGE BrCc1ccc(Br)c(Br)c1I 2054855272 LZSZHSJEIGYSCO-UHFFFAOYSA-N 454.725 4.711 50 10 JJGE O=C(CBr)c1c(I)cc(C(F)F)cc1OC(F)(F)F 2060383547 BEBKSVKMGCWEJF-UHFFFAOYSA-N 458.946 4.705 50 10 JJGE CC1(C)CC(CCl)(NC(=O)c2cc(I)ccc2Br)C1 2107257398 PDTSQMPHEWGTJA-UHFFFAOYSA-N 456.549 4.581 50 10 JJGE O=C(c1cccc(Br)c1Br)N1[C@H]2CC[C@@H](C2)[C@H]1CBr 2122179187 JOVHHEZYFPSJMD-HOTUBEGUSA-N 451.984 4.600 50 10 JJGE O=C(c1csc(Br)c1Br)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Br)C2 2134105080 NLQDXRQVOFMBCQ-RXHUMLQZSA-N 476.003 4.752 50 10 JJGE CC(C)[C@H](Br)CN(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2167644280 SHZMHBAQENYBQY-SECBINFHSA-N 468.038 4.796 50 10 JJGE Fc1cc(Br)cc(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)c1CCl 2170696415 DKUZVBLSGNLFRK-LEWJYISDSA-N 453.783 4.807 50 10 JJGE C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1cc(CBr)ccc1Cl 2179793361 SRLYGJCCQDDSEH-INIZCTEOSA-N 471.848 4.520 50 10 JJGE Cc1csc(CBr)c1S(=O)(=O)N(C)Cc1csc(Br)c1 2179826061 OQCVAWJVOJPUFN-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE CC1CC(CBr)(CN=[S@](=O)(C(C)C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 2265305193 ZEDGRNORXGQCIV-MTFGVUGVSA-N 451.471 4.683 50 10 JJGE BrC[C@@H]1CC[C@@H]2CN(Cc3cc(Br)ccc3Br)C[C@H]2O1 2289331140 OLODTMLTXFTBDP-RIEGTJTDSA-N 468.027 4.586 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@@H](CBr)C12CC2 2295313484 KKUUYJHARCGXET-NSHDSACASA-N 466.011 4.530 50 10 JJGE CCCOc1ccccc1C=CC(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1 2314771123 VFTPXIITWSZOHF-UHFFFAOYSA-N 456.498 4.911 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cc(C)c(Cl)c(C)c2)c(OC)c1 2314790162 YPJZHOJOJKGIJI-UHFFFAOYSA-N 470.953 4.773 50 10 JJGE CCOc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc(Cl)c1 2322974814 GZSUIPZONAIKMO-UHFFFAOYSA-N 453.882 4.990 50 10 JJGE CCn1nc(Br)c(C[C@@H](CBr)c2cccc(Br)c2)n1 2351801091 LSGKPVONVNCJBT-JTQLQIEISA-N 451.988 4.544 50 10 JJGE COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1OC 2768459 BZSWWVUEAJITQL-HZHRSRAPSA-N 472.541 4.557 50 10 JJGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)c3cc(Br)ccc3O)cc2)cc1C 8705459 TXTZRPPXXALJNE-UHFFFAOYSA-N 496.361 4.553 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2cc(Cl)cc(Cl)c2)c(Br)c1 10505069 YGFBIPNGXKVAJN-UHFFFAOYSA-N 474.182 4.893 50 10 JJGE CC(C)c1ccccc1OCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1Br 14642083 MBWMPFSJIOFLPS-UHFFFAOYSA-N 497.389 4.845 50 10 JJGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 14644495 BOFYIYOFAJOEAD-KGLIPLIRSA-N 491.769 4.638 50 10 JJGE Cc1c(C(=O)N2CCCCCC2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813450 ZSYXEPUMYQPELY-KOEQRZSOSA-N 472.929 4.636 50 10 JJGE COc1c(C(=O)N/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)ccc2ccccc12 59156587 OBGRIKIYOBLSLO-LQKURTRISA-N 454.482 4.890 50 10 JJGE Cc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(Cc2ccc3c(c2)OCO3)C(=O)CCl)cc1 97914728 XGNDUBYGSHKAEI-JBWFSBJDSA-N 470.997 4.727 50 10 JJGE CC(C)(C)C[C@@H](Br)CNC(=O)c1ccc(I)c(Cl)c1 226228854 XXHOXXOYONFUPS-SNVBAGLBSA-N 458.565 4.874 50 10 JJGE Cc1ccc(OCC(=O)NN=C2C(=O)N(Cc3ccc(OCCC(C)C)cc3)c3ccccc32)cc1 245265343 GFTCYCUGYXREHO-UHFFFAOYSA-N 485.584 4.866 50 10 JJGE Cc1cc(C)c(OCC(=O)NN=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(Br)c1 252611698 ILSJJNAEUVBBEW-UHFFFAOYSA-N 472.295 4.763 50 10 JJGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=Cc3c(C)nn(C)c3C)[nH]n2)cc1 254824382 TWXWNMIGGRUALX-UHFFFAOYSA-N 450.587 4.930 50 10 JJGE CCOc1cc(C=NNC(=O)COc2ccc3ccccc3c2)ccc1OC(=O)c1ccccc1 254872637 QGGCHHOMEHWQHY-UHFFFAOYSA-N 468.509 4.987 50 10 JJGE Cc1cc([C@H](Br)c2cnn(C)c2I)sc1Br 379143105 BQSUFTWRHQXXAA-MRVPVSSYSA-N 475.975 4.641 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1 725434165 AKAWZGXFTFSQES-NRFANRHFSA-N 470.909 4.661 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCO[C@@H](c3ccccc3)C2)c(-c2ccc(Cl)cc2)n1 914604913 CDNQLOCUMVBPEY-HVUZKSCUSA-N 471.948 4.624 50 10 JJGE COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(OC3CCCC3)c(OC)c2)c1C 916073742 FUIBISIRIQVNID-SYVPYPDPSA-N 465.594 4.866 50 10 JJGE O=C(NN=Cc1ccc(OCc2ccccc2F)cc1)C(O)(c1ccccc1)c1ccccc1 1083897923 NYASJRRRCTXBND-UHFFFAOYSA-N 454.501 4.791 50 10 JJGE O=C(NN=C(CSc1nc2ccccc2o1)c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 1084411512 RMKFYQNMQXSEHK-UHFFFAOYSA-N 477.458 4.571 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@H](c2ccc([N+](=O)[O-])cc2Br)C1 1614643487 REHSTCGZONTKMT-ZWNOBZJWSA-N 464.154 4.703 50 10 JJGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4cccc5cccnc45)c(C)c32)cc1 1772745931 NOCSMNVQFPNYMX-UHFFFAOYSA-N 469.497 4.834 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681475 ODXLKQJXAPFZDL-QFIPXVFZSA-N 486.915 4.831 50 10 JJGE CCC[C@H](NC(=O)Cc1nc(-c2ccc(C)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866651578 NXBSJFRETFNPTR-NRFANRHFSA-N 462.575 4.998 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]1C2 2010826078 WDAHJFLDHQFPBU-KSZLIROESA-N 475.721 4.660 50 10 JJGE CSCC[C@@H](Cl)CCNC(=O)c1cc(I)ccc1Br 2090381637 GYNHSUBOUINSQX-VIFPVBQESA-N 476.605 4.534 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@H](Br)C2(CC2)C1 2093181290 TYABXXNFSVJFHI-LBPRGKRZSA-N 451.984 4.601 50 10 JJGE CC[C@@H]1[C@H](CBr)CCN1C(=O)c1c(Br)cccc1Br 2094090549 INDYOIALHIDIOV-JOYOIKCWSA-N 454.000 4.847 50 10 JJGE CC1(C)C[C@@H](CBr)N(C(=O)c2ccc(I)c(Cl)c2)C1 2094749062 GGYJZNFUSCKFQK-JTQLQIEISA-N 456.549 4.580 50 10 JJGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)N1CCCC[C@H]1CBr 2123231525 FSYFGBBHNOAMSO-WMZOPIPTSA-N 457.459 4.806 50 10 JJGE C[C@@H]1C[C@H](Cl)CCN(C(=O)c2ccc(Br)cc2I)C1 2142284957 JRTRZXCFRAAGML-MWLCHTKSSA-N 456.549 4.533 50 10 JJGE CC1(C)CCC[C@@]1(CCl)NC(=O)c1ccc(I)c(Br)c1 2150539892 DXBYVZLYUQTGRQ-HNNXBMFYSA-N 470.576 4.971 50 10 JJGE CS(=O)(=O)C1([C@H](Br)c2scc(C(F)(F)F)c2Br)CCC1 2166699498 OLJGDANNXYAUEZ-SECBINFHSA-N 456.143 4.933 50 10 JJGE O=C(c1csc(Br)c1Br)N1CC[C@](CCl)(C(F)(F)F)C1 2167675247 NBTIEEWAOKSCKS-SNVBAGLBSA-N 455.521 4.907 50 10 JJGE CC(C)(C)OC(=O)N1CCC12CCS(=O)(=NCc1ccc(CBr)cc1)CC2 2182853699 DZDLAJSSFGAYPG-UHFFFAOYSA-N 457.434 4.723 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1[C@H]2CC[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 2249340139 BWUUUKBBCWJGIZ-USTZCAOPSA-N 475.721 4.564 50 10 JJGE CCc1ncc2nc(CCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2n1 2271096455 LGUNIRMRTUUNLW-UHFFFAOYSA-N 461.997 4.599 50 10 JJGE O=C(NC1(CCBr)CCCCC1)c1c(F)cccc1I 2282812815 VLTUAHDURSNHLF-UHFFFAOYSA-N 454.121 4.648 50 10 JJGE CCOC(=O)C(C#N)=C1S[C@@H](Cc2ccccc2C)C(=O)N1c1ccc(Br)cc1 2293039189 NEONALXJMRCECY-IBGZPJMESA-N 471.376 4.747 50 10 JJGE C[C@@H]1[C@@H](Br)CCCN1Cc1ccc(I)c(Br)c1 2306222030 OXGNJEORZFGONO-KOLCDFICSA-N 472.990 4.802 50 10 JJGE CCO[C@@H]1[C@H](Br)C[C@H]1OCc1cc(I)ccc1Br 2319215035 VPXXFJMMGKWOQG-JHJVBQTASA-N 489.973 4.511 50 10 JJGE O=S1(=O)CC[C@@H]([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)C1 2335369849 WIASRFAQUPGOLR-ANLVUFKYSA-N 454.970 4.766 50 10 JJGE FC(F)(CBr)[C@@H]1CCN(Cc2ccc(Cl)cc2I)C1 2341011838 NPIHOXXFBOBOHD-SNVBAGLBSA-N 464.519 4.797 50 10 JJGE CC(C)(C)N1C[C@@H](Cl)[C@H](Cc2ccc(I)c(Br)c2)C1 2349833557 GBWKZTKJWZVDIZ-DGCLKSJQSA-N 456.593 4.934 50 10 JJGE CC(C)(C)OC(=O)Nc1cccc([S@@](C)(=O)=NC[C@@]2(CBr)CC2(F)F)c1 2351885496 KPRAMSBAJBWSRP-YHAMSUFESA-N 453.349 4.911 50 10 JJGE COc1ccc2nc(N(/N=C/c3ccc(C)cc3)C(=O)c3cccc(N4C(=O)CCC4=O)c3)sc2c1 9629309 MWGVCHLNTKMEAJ-LQKURTRISA-N 498.564 4.948 50 10 JJGE CCOc1cc(/C=C(\C#N)c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1ccc(OC)cc1 34988356 RXCQPBCDIDZIGY-XMHGGMMESA-N 496.523 4.824 50 10 JJGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1 38682163 YZAVFFGEZNRQGP-VWLOTQADSA-N 458.539 4.920 50 10 JJGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2F)CCC3)cc1 40812425 YQZFGAOLNDMDGX-ZTKZIYFRSA-N 477.492 4.627 50 10 JJGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1ccccc1 58887992 CVKJBDOWHRROQZ-YYTHZRLUSA-N 458.558 4.967 50 10 JJGE O=S(=O)(N[C@H]1c2ccccc2C[C@H]1Br)c1cc(Cl)c(Br)s1 137000387 TVZPATAXSLPLQX-SKDRFNHKSA-N 471.623 4.503 50 10 JJGE CCC(CC)N(CCBr)C(=O)c1cc(Cl)ccc1I 232895700 OIMZXQWZTVUUTC-UHFFFAOYSA-N 458.565 4.970 50 10 JJGE CN(C)c1ccc(C=NNC(=O)c2cc(-c3ccc(OCCc4ccccc4)cc3)n[nH]2)cc1 254867368 HWADLPFFTHKJGH-UHFFFAOYSA-N 453.546 4.528 50 10 JJGE Cc1cc([C@@H](Br)c2cnn(C)c2I)sc1Br 379143106 BQSUFTWRHQXXAA-QMMMGPOBSA-N 475.975 4.641 50 10 JJGE CC(C)n1ncnc1COc1c(Br)cc(Br)cc1CBr 380094712 LVAIEQFHEKCFQN-UHFFFAOYSA-N 467.987 4.858 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2c(F)cccc2Br)C1 382693274 QWDMFZPQLNCLRW-MNOVXSKESA-N 484.147 4.974 50 10 JJGE COc1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)C(=O)N(c2c(C)cccc2C)C3=O)cc1 1866126958 ZYLNQKRGIJBSEZ-CPNJWEJPSA-N 451.482 4.658 50 10 JJGE Clc1ccc(CO[C@@H]2CCC[C@H]2I)c(I)c1 1901605804 RJVLHMOZDWEEJS-ZYHUDNBSSA-N 462.496 4.817 50 10 JJGE COc1cc(C)c([C@H](Br)c2cnn(C)c2Br)cc1Br 1901674617 KXHQNZHBUSSWGS-LBPRGKRZSA-N 452.972 4.746 50 10 JJGE Cc1cc(Br)c(C(=O)NC[C@@H]2C[C@@H]2Br)cc1NC(=O)OC(C)(C)C 1910124193 GGEMSMKLWNDVBU-JQWIXIFHSA-N 462.182 4.618 50 10 JJGE FC(F)(F)c1cnc(N2CC[C@@H](Br)C23CCC3)c(I)c1 1914408120 GHERTFMSYIZWQM-SNVBAGLBSA-N 461.063 4.601 50 10 JJGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(I)c(O)c1 1915129931 FEMFHIDUEYMCQR-ZDUSSCGKSA-N 488.163 4.813 50 10 JJGE O=C(Nc1c(Br)cc(Br)cc1Br)[C@@H]1C[C@@H]1Br 1991404136 ROQYGHAPGVADRU-RITPCOANSA-N 476.788 4.696 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2Br)[C@H](C)C[C@@H]1Br 2093110434 BXUDPPJPRVWHQC-KKFJDGPESA-N 454.000 4.846 50 10 JJGE COc1cc(C)c(Br)cc1[C@H](Br)c1cc(Br)n(C)n1 2094081860 HYMFAWQJIIXBAP-ZDUSSCGKSA-N 452.972 4.746 50 10 JJGE O=C(NC1(CCCCl)CCC1)c1cc(Br)ccc1I 2140852722 OMIMJWICLJLFKU-UHFFFAOYSA-N 456.549 4.725 50 10 JJGE CN(C1(CBr)CCCCC1)S(=O)(=O)c1cc(Cl)c(Br)s1 2170293383 WONJQPGJLWMGQQ-UHFFFAOYSA-N 465.660 4.882 50 10 JJGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1cc(CBr)n(C(C)C)c1 2179857629 CAJHNDPAKOSVGF-UHFFFAOYSA-N 457.434 4.581 50 10 JJGE CC1CC(CBr)(CN=[S@@](C)(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C1 2265306475 SFCAFVXLYGXEFF-URWKRSBDSA-N 453.487 4.835 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CCCCC[C@@H]1CBr 2295315312 JVIXWERCVJKCAT-CQSZACIVSA-N 468.027 4.920 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2Br)cc(Br)c1O 2297331548 RZINPNOZQAZGKE-UHFFFAOYSA-N 466.129 4.862 50 10 JJGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cccc(Br)c1F 2303545483 RZNCONKGGPBLQZ-AWEZNQCLSA-N 459.153 4.688 50 10 JJGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)Nc1cccc(C)c1 2314532563 LEFNXJUJCPSHQO-UHFFFAOYSA-N 466.497 4.658 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)c(OC)c1 2314634590 LIYBVBUYQQLBJH-SANMLTNESA-N 454.482 4.541 50 10 JJGE Brc1cc(CN2[C@H]3CC[C@H](Br)[C@H]2CC3)ccc1I 2325211614 KKLPHNIZMURJPD-COPLHBTASA-N 485.001 4.944 50 10 JJGE COC(=O)c1c(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)sc(C(C)=CC#N)c1C 2331557683 ZXDSXWGOMBKTIS-UHFFFAOYSA-N 491.569 4.951 50 10 JJGE Cc1cccc(C(=O)NCC(C)(C)[C@H](Br)C(C)C)c1I 2366006232 BPUCSHMPOAPAIQ-CQSZACIVSA-N 452.174 4.775 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C[C@]3(CBr)CC3(F)F)CC2)C1 2379981976 RXXWSMSKZSZDRA-QFBILLFUSA-N 451.396 4.766 50 10 JJGE CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 14658943 ZHHKRVOKBJQERS-UHFFFAOYSA-N 463.372 4.736 50 10 JJGE O=C(NNC(=O)c1ccccc1OCc1ccc(F)cc1)c1cccc(OCc2cscn2)c1 16706799 JOBBPQIZVVOEED-UHFFFAOYSA-N 477.517 4.515 50 10 JJGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCCCn3ccnc3)oc12 33515870 GUYCDEBSDGGXSM-QNGOZBTKSA-N 492.539 4.604 50 10 JJGE Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NCCc2ccccc2)ccc1Cl 33863043 SNMWCWCVYIWRCT-SILNSSARSA-N 484.943 4.715 50 10 JJGE Cc1ccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)NCc3ccco3)c3ccccc23)c(C)c1 33932891 QGYCFQQRROKDKU-MOSHPQCFSA-N 452.514 4.713 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)c1OC 38659019 AGQXQRUDXYGRTN-XMMPIXPASA-N 476.916 4.723 50 10 JJGE Cc1c(Cl)cccc1Nc1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-] 40588515 CETDDXIETONIEQ-UHFFFAOYSA-N 477.706 4.610 50 10 JJGE CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2)cc1OC 40970131 YBJHCEFNBCCLMQ-JSLBFUATSA-N 492.572 4.553 50 10 JJGE O=C(CSCc1ccccc1Cl)N/N=C1\C(=O)N(Cc2ccccc2F)c2ccccc21 59147617 LVBKHKNSOWNZSN-NFFVHWSESA-N 467.953 4.780 50 10 JJGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc1 59680327 QRRIHOCPRFTXBH-OGLMXYFKSA-N 453.498 4.680 50 10 JJGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)cc1 102682989 GWCACJKHYBWXMW-HKWRFOASSA-N 450.498 4.958 50 10 JJGE CN(C(=O)c1cc(I)ccc1Br)[C@@H]1CCCC[C@H]1Cl 234295360 JMTWWVKBTNGYBW-CHWSQXEVSA-N 456.549 4.676 50 10 JJGE CCCOc1ccc(Br)cc1C=NNC(=O)c1cc(Br)ccc1OC 254624013 NAFAMNRWWKHMOD-UHFFFAOYSA-N 470.161 4.773 50 10 JJGE CCn1c(SCC(=O)NN=C(C)c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(C(C)(C)C)cc1 254760474 YUOAWQGQNIRWLN-UHFFFAOYSA-N 480.594 4.803 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H](Br)C(C)(C)C)cc1Br 324310382 ZAIOSFWRUIOKFM-GFCCVEGCSA-N 492.071 4.608 50 10 JJGE CCOc1ccc([C@@H](Br)c2cnn(C)c2Br)cc1Br 379219647 SBXUGPOVCUVOGR-GFCCVEGCSA-N 452.972 4.828 50 10 JJGE CCN(C[C@@](C)(CI)OC(C(F)(F)F)C(F)(F)F)C(=O)OC(C)(C)C 384704736 JDULKNVBGFTBBQ-GFCCVEGCSA-N 493.226 4.947 50 10 JJGE C[C@@H]1[C@H](Cl)C[C@H]2CC[C@H]1N2C(=O)c1cc(Br)ccc1I 686175490 GIBHVDFTEXNEFT-ZJIMWXPPSA-N 468.560 4.674 50 10 JJGE C[C@H](CC(CBr)(CBr)c1ccc(Br)cc1)CS(C)(=O)=O 706477188 GLXBPOQJQKYCHQ-LLVKDONJSA-N 491.083 4.548 50 10 JJGE Cc1cccc(COc2ccc([C@H](C)NC(=O)NNC(=O)c3cn(C)c4ccccc34)cc2)c1 727840904 DXPAWUMOKZJOTJ-IBGZPJMESA-N 456.546 4.771 50 10 JJGE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C=NNC(=O)COc1ccc(C2CCCCC2)cc1 1083944454 SZHXLDKGMMUHFC-UHFFFAOYSA-N 475.549 4.974 50 10 JJGE CC(C)(C)c1ccc(OCCCC(=O)NN=Cc2ccccc2[N+](=O)[O-])c(Br)c1 1772755787 SFCJPYRBAPVLJS-UHFFFAOYSA-N 462.344 4.964 50 10 JJGE COc1cc(C=NNC(=O)CSc2nc3ccccc3o2)ccc1OCCc1ccccc1 1772760599 XKEIBMPYSAAOLD-UHFFFAOYSA-N 461.543 4.700 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1O 1865682725 WMLGVNXICAVLEK-QHCPKHFHSA-N 450.498 4.531 50 10 JJGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(C(=O)O)cc1)C(C#N)=C(N)O2 1865709239 ROTVFBKAEHUPKQ-LJQANCHMSA-N 469.328 4.717 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1ccc([N+](=O)[O-])cc1 1865712508 AHUSWBYGGFRULU-HNNXBMFYSA-N 461.787 4.671 50 10 JJGE COc1cccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c1 1872743977 BNHTZCHVNPPXBX-JZJYNLBNSA-N 490.497 4.596 50 10 JJGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1CCN(C(=O)OC(C)(C)C)CCC1(F)F 1882089429 ZLPUPERQGXARIA-CHWSQXEVSA-N 457.356 4.557 50 10 JJGE O=C(N[C@@H](CCBr)C(F)(F)F)c1cc(Br)sc1Br 1918521272 ZBPGZGUSAAYROF-YFKPBYRVSA-N 473.934 4.719 50 10 JJGE O=C1[C@@H](Br)CCCN1c1cc(Br)c(Br)c(Br)c1 1946445848 RQWRFTXPUNGRIK-ZETCQYMHSA-N 490.815 4.864 50 10 JJGE C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)NCCSSCCNC(=O)OC(C)(C)C 1985347444 SDLBIBZVUXVWGE-IAGOWNOFSA-N 463.710 4.660 50 10 JJGE C[C@H](NCCSSCCNC(=O)OC(C)(C)C)c1ccc(I)cc1 2010825217 HTVXKIQOMCSRLG-ZDUSSCGKSA-N 482.453 4.848 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCCN(C(=O)OC(C)(C)C)C12CCC2 2020574976 LMJXSABDXQYKJH-KRWDZBQOSA-N 475.721 4.804 50 10 JJGE O=C1C(Cl)=C(Cl)C(=NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](Cl)C1(Cl)Cl 2053493274 LMAAQFHDBBYMDP-SNVBAGLBSA-N 455.961 4.523 50 10 JJGE O=C(CBr)c1ccc(C(F)F)c(Br)c1I 2054782404 ZOERJKUKZXEANT-UHFFFAOYSA-N 453.846 4.569 50 10 JJGE C[C@H]1CCN(C(=O)c2cccc(Br)c2Br)C[C@@H]1CBr 2092332932 LKTMEIXDZTWRIP-UWVGGRQHSA-N 454.000 4.705 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CCC(F)(CBr)CC1 2101312312 NPOAPVBGURLCHC-UHFFFAOYSA-N 457.963 4.551 50 10 JJGE CC[C@H](Br)CN(C(=O)c1cc(Cl)ccc1I)C1CC1 2107406235 HGURABGMYBYSMV-VIFPVBQESA-N 456.549 4.723 50 10 JJGE Cc1cc(Br)c(CBr)c(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)c1 2116837723 ZSLBCAWPWKPQKF-SFTDATJTSA-N 480.244 4.742 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](Cl)CC2(CCC2)C1 2151350006 UTVGZJVYSZGTPL-NSHDSACASA-N 468.560 4.677 50 10 JJGE CC(C)[C@@H](Br)[C@H](C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2159243903 HNTRIMPYLGWUOI-WRWORJQWSA-N 468.038 4.842 50 10 JJGE CN(C[C@@H](Br)C1CCCC1)S(=O)(=O)c1cc(Cl)c(Br)s1 2167653538 YNWRUBDITNLAKA-SECBINFHSA-N 465.660 4.738 50 10 JJGE Cc1nn(C)c([C@H](Br)c2cc(Br)c3c(c2)CCO3)c1Br 2192373244 BRSITLMVABZUSK-GFCCVEGCSA-N 464.983 4.673 50 10 JJGE CC1(C)C[C@](C)(CBr)CN1C(=O)c1ccc(I)c(Cl)c1 2199537585 CWNSRMFQZYRXBI-OAHLLOKOSA-N 470.576 4.970 50 10 JJGE Cn1ncc(Br)c1-n1c(CCl)nc2cc(Br)c(Br)cc21 2234064697 GJVQHOGUYTXLEY-UHFFFAOYSA-N 483.389 4.785 50 10 JJGE BrC[C@@H]1CC[C@H]2CN(Cc3ccc(Br)cc3Br)C[C@@H]2O1 2289185934 JUPKFNFKPHYOTR-WHOFXGATSA-N 468.027 4.586 50 10 JJGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(CC)cc1 2314593353 LQOWNDAJTCSDHL-NRFANRHFSA-N 496.430 4.740 50 10 JJGE COc1ccc(C=CC(=O)Nc2cccc(C(=O)Nc3ccc(SC#N)cc3)n2)cc1OC 2318781165 FHDOJDKFVXVDJN-UHFFFAOYSA-N 460.515 4.576 50 10 JJGE Cn1cc(I)c(C[C@H](CBr)c2ccc(Br)cc2)n1 2319151750 KDBQXHHURSHEBZ-SNVBAGLBSA-N 483.973 4.508 50 10 JJGE CCCCCOc1ccc(/C=C2/C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1OCC 38606597 AVGGDDCNMKQODI-LTGZKZEYSA-N 454.567 4.673 50 10 JJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1OC 38680900 JVLDJFSIIIPXGL-NDEPHWFRSA-N 498.535 4.771 50 10 JJGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1 38700433 GFKGJHWNGNJRSI-RUZDIDTESA-N 464.477 4.793 50 10 JJGE COc1ccc(C(=O)NNc2ncnc(Nc3ccc(Cl)c(C(F)(F)F)c3)c2[N+](=O)[O-])cc1 40658871 NKTZFZRSFWGPPS-UHFFFAOYSA-N 482.806 4.566 50 10 JJGE Cc1c(C(=O)NCc2ccccn2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813523 NEOXZTUOTSZCHB-JBASAIQMSA-N 452.514 4.537 50 10 JJGE CCOC(=O)c1c(NC(=O)N/N=C/c2ccc(OC)c(Br)c2)sc2c1CC[C@@H](C)C2 40845449 YRFZWOIEXRLFRT-MIDUAYCOSA-N 494.411 4.976 50 10 JJGE COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1I 59335254 HZKQRFJIIQCGCR-QPEQYQDCSA-N 497.130 4.916 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cc(F)ccc2F)C1 382709548 WVUUJPDZRNEPHI-RHSMWYFYSA-N 457.258 4.752 50 10 JJGE Cc1cccc(C(=O)N2CCC(CCCBr)CC2)c1I 401045587 GJVUYLKZKSLVCL-UHFFFAOYSA-N 450.158 4.627 50 10 JJGE CC[C@@H](c1ccc(OC)cc1)[C@H](c1ccc(OC)cc1)N(/N=C/c1ccccc1[N+](=O)[O-])C(=O)CN 585668974 HMNHULGZHRREIY-KEFLRBFESA-N 490.560 4.668 50 10 JJGE ClCCCCCc1cn(-c2ccc(I)cc2Br)nn1 686284769 HFEPYLFIGHICPJ-UHFFFAOYSA-N 454.537 4.586 50 10 JJGE C[C@@H]1CC[C@@H](CBr)CN1C(=O)c1cc(Br)cc(Br)c1 688706987 VDIHQJFPANWFPQ-ZJUUUORDSA-N 454.000 4.847 50 10 JJGE O=C(COc1ccc(C=NNC(=O)C(c2ccccc2)c2ccccc2)cc1)NCc1ccccc1 725432239 KQCJBLKXZIUHGP-UHFFFAOYSA-N 477.564 4.664 50 10 JJGE Cc1cc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)ccc1N1CCSCC1 749866348 FEOKEQLNJJVKLT-XLNRJJMWSA-N 482.613 4.871 50 10 JJGE Cc1cc(Cl)ccc1NC(=O)COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1 1858680929 TYQNUAQXLQTEJN-UHFFFAOYSA-N 456.842 4.580 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1O 1865682869 ZGJCEHDFOXYNRY-QGZVFWFLSA-N 476.842 4.536 50 10 JJGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)c(OC)c1 1865687515 SVVYTPCLUXNNRB-LJQANCHMSA-N 470.451 4.728 50 10 JJGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1ccccc1Cl 1865694324 WNRVIFPVTWISTR-HXUWFJFHSA-N 450.926 4.714 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1865708579 BOTVCJXFDRLXQV-MRXNPFEDSA-N 474.826 4.520 50 10 JJGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c(C)c1 1872748515 AVLUAHYGGCUWEG-JZJYNLBNSA-N 474.498 4.814 50 10 JJGE O=C(N[C@H]1C[C@@H]([C@H](F)CBr)C1)c1scc(Br)c1Br 2078359706 CMDGHUOHLPRPNZ-GKROBHDKSA-N 463.992 4.515 50 10 JJGE CCN(C(=O)c1ccc(Br)cc1I)C(C)(C)CBr 2086151529 OYWNDDRJUXLZEW-UHFFFAOYSA-N 488.989 4.689 50 10 JJGE Cc1c(F)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)CC(F)(F)F 2123267977 JOVQTTXSQLURQI-UHFFFAOYSA-N 454.283 4.782 50 10 JJGE O=S(=O)(c1cc(Cl)cc(CBr)c1Cl)N(Cc1ccccc1)[C@H]1CCOC1 2123268663 FWFZDHONBDDKOQ-INIZCTEOSA-N 479.223 4.868 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@H](Br)[C@@H]2CC[C@@H]21 2133723428 POTLZWVZRLVQRF-AUTRQRHGSA-N 451.984 4.600 50 10 JJGE Cc1cc(CCl)cc(S(=O)(=O)N(C)[C@H]2CC[C@@H]2OCc2ccccc2)c1Br 2156443013 PEEUTRFNZYFTRT-ROUUACIJSA-N 472.832 4.865 50 10 JJGE Brc1ccccc1[C@H](CI)OC[C@@H]1C[C@@]12CCCOC2 2198375909 CFKIFMBWCMLNAN-VBNZEHGJSA-N 451.142 4.759 50 10 JJGE C[C@H](CC1CCN(CCCCCI)CC1)N(C)C(=O)OC(C)(C)C 2214705832 WTBJFCGTEOAZSJ-MRXNPFEDSA-N 452.421 4.949 50 10 JJGE Cc1ccc(C(=O)N[C@]2(CBr)CCCC2(C)C)cc1I 2232839537 WUFYLQOFKMZBRZ-INIZCTEOSA-N 450.158 4.673 50 10 JJGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NCC1CC(Br)C1 2241638371 XRCMROFBRJVAMA-UHFFFAOYSA-N 471.395 4.595 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1O 2313518222 VVXJJLKOVBJKFX-UHFFFAOYSA-N 462.287 4.558 50 10 JJGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)C(C#N)=C2C)c1 2314617542 BNKYPYRZAIMVMJ-UHFFFAOYSA-N 452.514 4.550 50 10 JJGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2COCCO2)c1Br 2315448976 JBQJVWCRGQSNNB-CBAPKCEASA-N 467.354 4.856 50 10 JJGE O=S(=O)(CCCCCCCl)c1cc(I)ccc1Br 2316467507 GWDDURNPSYLXQM-UHFFFAOYSA-N 465.578 4.627 50 10 JJGE COc1ccccc1-c1csc(C(C#N)=C(O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n1 2331282397 PMXOPEZJQNSBRB-UHFFFAOYSA-N 490.497 4.596 50 10 JJGE C[C@@H]1C[C@@H](Br)[C@@H](C)N(C(=O)c2ccc(Cl)cc2I)C1 2340060299 ASRAOVGRKJUTHX-KBVBSXBZSA-N 456.549 4.579 50 10 JJGE CCC[C@H](Br)c1cn(Cc2ccc(I)c(Br)c2)nn1 2349921014 OQSTUBDOFYRXAA-JTQLQIEISA-N 498.988 4.930 50 10 JJGE Clc1ccc(I)cc1CN1C[C@H]2CCC[C@]2(CBr)C1 2352410179 MJEDRENAUVDQEH-DOMZBBRYSA-N 454.577 4.942 50 10 JJGE CC(C)(C)OC(=O)NCC[C@H]1CCN(C(=O)CCCCBr)[C@@H](C(F)(F)F)C1 2362896923 GMUCCBAEDXUCPU-UONOGXRCSA-N 459.347 4.636 50 10 JJGE CC1(C)COC[C@H]1CO[C@@](C)(CI)c1ccccc1Br 2364410410 ZSJXJVGUOKRXRS-LRDDRELGSA-N 453.158 4.789 50 10 JJGE O=C(COc1ccc(Cl)cc1Cl)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 12502406 SIVIASQFMADKGK-UHFFFAOYSA-N 488.805 4.576 50 10 JJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(OCCc4ccccc4)cc3)cc2)c1 14041587 KKSCPHDQKIRJNV-UHFFFAOYSA-N 493.563 4.944 50 10 JJGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2OC)cc1 38658877 LYMJYYOTPOGMFA-VWLOTQADSA-N 484.508 4.706 50 10 JJGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c1C 39858793 FGUBMTBNRDMAIZ-JXAWBTAJSA-N 454.461 4.788 50 10 JJGE CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(Br)cc1CC 40959930 JQZODCURXDDMMH-SSDVNMTOSA-N 484.188 4.702 50 10 JJGE CN1Cc2cc([C@H](Br)c3ccc(I)cc3)ccc2NC1=O 123295259 GWBGZNSJGACJLM-OAHLLOKOSA-N 457.109 4.753 50 10 JJGE O=S(=O)(c1cc(Br)ccc1Br)N1CCCCC[C@H]1CBr 157725148 UJCJKEQZUYUAST-NSHDSACASA-N 490.055 4.540 50 10 JJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 217098787 HYDRLQDTJPBZGD-ROMGYVFFSA-N 494.595 4.616 50 10 JJGE O=C(NC[C@H]1CCCC[C@H]1Br)c1cc(Br)sc1Br 232486209 RPBLCLAUGOYBJK-VXNVDRBHSA-N 460.029 4.957 50 10 JJGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3cccc(F)c3)nnc2-c2ccccc2)cc1 254517720 FSOOPBMLOMKAFX-UHFFFAOYSA-N 475.549 4.715 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccccc3)n2-c2ccc(C)cc2)cc1 254521296 RUCUDPATRUWCOD-UHFFFAOYSA-N 471.586 4.884 50 10 JJGE Cc1ccccc1COc1ccc(Br)cc1C=NNC(=O)c1cc(O)cc(O)c1 254669131 PDYDIYVIZDTMGP-UHFFFAOYSA-N 455.308 4.512 50 10 JJGE COc1cc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)ccc1C 394683465 DKNGEEWYGJEEKI-RBUKOAKNSA-N 465.331 4.791 50 10 JJGE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(NC(=O)Nc3ccc(SC#N)cc3)c2)CC1 586718000 ROBZHMRPHJGEKL-UHFFFAOYSA-N 481.578 4.597 50 10 JJGE C[C@H]1CCCN(C(=O)c2cc(I)ccc2Br)[C@H]1CCl 688668609 VCXNEDKCCQHWCG-ZANVPECISA-N 456.549 4.533 50 10 JJGE Fc1ccc(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)c(CBr)c1Cl 705736570 YVNQFEWTKXEYGD-VQTJNVASSA-N 453.783 4.854 50 10 JJGE CC(=NNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(-c2ccccc2)cc1 1083936088 AABBQUONYMCTRO-UHFFFAOYSA-N 475.614 4.603 50 10 JJGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865692763 PDMRKVMKPBVHFY-XMMPIXPASA-N 482.540 4.832 50 10 JJGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Cl)c(O)c(OC)c1 1865707490 XXFRVTDPHHVCIH-IBGZPJMESA-N 466.925 4.554 50 10 JJGE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865715061 UPWCJQQJGMDVKH-LJQANCHMSA-N 455.743 4.874 50 10 JJGE N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1I 1866127424 HGVMLHUUSPIVBU-YRNVUSSQSA-N 471.067 4.738 50 10 JJGE CC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(C(=O)NCc4ccccc4)cc3)o2)cc1 1873496337 MTELKFAQRAKMMW-FDAWAROLSA-N 495.535 4.608 50 10 JJGE CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(F)cc2)cc1 1873795210 CBXLQZLCKHNDBK-OGLMXYFKSA-N 471.529 4.580 50 10 JJGE CC(C)(C)OC(=O)N[C@@H](CBr)[C@H]1CCN(C(=O)OC(C)(C)C)CCC1(F)F 1882089430 ZLPUPERQGXARIA-OLZOCXBDSA-N 457.356 4.557 50 10 JJGE CC1(C)[C@H](Br)C[C@H]1Oc1cc(Br)cc(I)c1 1901016738 QYGPEHJXINGTSY-GHMZBOCLSA-N 459.947 4.995 50 10 JJGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1ccc(Br)cc1CCl 1912991789 CCSZSCJDHVBTNU-UHFFFAOYSA-N 458.743 4.602 50 10 JJGE CC1(C)[C@H](CBr)CCN1C(=O)c1scc(Br)c1Br 2034141834 YVMKMSMXKMCICD-ZETCQYMHSA-N 460.029 4.909 50 10 JJGE C[C@H](Br)C(C)(C)CNC(=O)c1ccc(Br)cc1I 2086147276 LKKZCHKWBMXFSC-QMMMGPOBSA-N 488.989 4.593 50 10 JJGE CC1(C)C[C@H](CBr)N(C(=O)c2cc(Cl)ccc2I)C1 2094753083 XZSXKMCQAWGYNS-SNVBAGLBSA-N 456.549 4.580 50 10 JJGE CC1(CCl)CCN(C(=O)c2ccc(Br)cc2I)CC1 2142286504 DHXRLGLWVUKADU-UHFFFAOYSA-N 456.549 4.535 50 10 JJGE CCn1ncc(Br)c1[C@@H](Cl)c1cc(I)cc2c1OCC2 2150668905 PNMMGBOZVCZKMA-LBPRGKRZSA-N 467.532 4.533 50 10 JJGE C[C@@H]1C[C@@H](CBr)CN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2156539161 NNTBUISXLGXFMC-SFYZADRCSA-N 466.022 4.550 50 10 JJGE O=S(=O)(c1cc(Cl)cc(CBr)c1Cl)N1CC=C(Br)CC1 2179864011 VGKMMNZXUNNAIK-UHFFFAOYSA-N 464.006 4.562 50 10 JJGE C[C@@H]1C[C@H](NCCSSCCNC(=O)OC(C)(C)C)[C@@H](C)N(C(=O)OC(C)(C)C)C1 2211277189 CSURYDVPJVIHEM-ZACQAIPSSA-N 463.710 4.516 50 10 JJGE Cc1c(Br)sc([C@H](Cl)c2nn(C)nc2Br)c1Br 2214373301 QOCOYSZSYUVZDZ-RXMQYKEDSA-N 464.408 4.801 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1CCCCCI 2214705202 ONRVDXCFNLZLNI-DLBZAZTESA-N 450.405 4.846 50 10 JJGE C[C@@H]1C[C@H](Br)[C@@H](C)N(C(=O)c2csc(Br)c2Br)C1 2220346519 ZBEYDWCGNLESCA-BHNWBGBOSA-N 460.029 4.907 50 10 JJGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 2227670307 OGPCXYLOSTUIHN-ZDUSSCGKSA-N 452.292 4.560 50 10 JJGE F[C@H](COc1c(Br)cc(Br)cc1CBr)[C@H]1CCOC1 2229949906 OSFCXKXXKBVLDE-QPUJVOFHSA-N 460.963 4.860 50 10 JJGE C[C@@H](Cl)c1nc(I)c(CCc2ccccc2)c(I)n1 2271190450 ATMUUEUGQAGNHL-SECBINFHSA-N 498.533 4.771 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CCC(CCl)(C(F)F)CC1 2289948340 AYSVAVZDGHFXJP-UHFFFAOYSA-N 451.558 4.999 50 10 JJGE N#CC(=Cc1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)NCCc1c[nH]c2ccccc12 2294581313 FAXRIZWWUXYYEA-UHFFFAOYSA-N 465.509 4.711 50 10 JJGE N#CC(C(=O)NCc1ccco1)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2296507105 TWWQXVUZPWNEQW-OAQYLSRUSA-N 463.946 4.676 50 10 JJGE CCCc1nn2c(=O)cc(COc3ccc(C=C(C#N)c4nc5ccccc5[nH]4)cc3)nc2s1 2297350784 TZXDLWHBNULRPD-UHFFFAOYSA-N 468.542 4.623 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(I)c1OCC 2313518477 FNCGCRQQSZDITP-UHFFFAOYSA-N 462.287 4.634 50 10 JJGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NC2CCCC2)c1 2314436789 FAWMPLYJDNGEHF-UHFFFAOYSA-N 456.546 4.884 50 10 JJGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(C(C)C)cc2)C(=O)N1c1ccc(OC)cc1 2314593030 GFDFCGALUDPWKO-QHCPKHFHSA-N 461.587 4.547 50 10 JJGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 2314616615 FRLFSZVRDDIRIQ-UHFFFAOYSA-N 493.523 4.982 50 10 JJGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCCC)c(OC)c2)c(OC)c1 2314738595 RJFYZBPZZDRYEQ-UHFFFAOYSA-N 478.545 4.545 50 10 JJGE CCOC(=O)c1sc(NC(=O)C(C#N)=Cc2ccc(OC)c(OC)c2)nc1-c1ccccc1 2329708975 QSVZKXZCDWSYQS-UHFFFAOYSA-N 463.515 4.550 50 10 JJGE BrC[C@@H]1C[C@@H]2C[C@H](C1)CN(c1ncc(Br)cc1Br)C2 2343299637 JPPRLCGXACYBHM-RTCCRHLQSA-N 453.016 4.854 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CC[C@@H]2CC[C@@H](Br)[C@H]1C2 2355760364 FGXBMNDAQCQAFW-MRCXROJRSA-N 468.560 4.723 50 10 JJGE C[C@H]1CC2CC(CO[C@@H](CI)c3ccc(Br)cc3)(C2)O1 2368120753 LXLRJMBAVUKQAY-UUGHVDCASA-N 451.142 4.899 50 10 JJGE O=S(=O)(Nc1cc(Br)ccc1Br)c1ccc(CCCl)cc1 37843517 JJUYWNCFBHIVTK-UHFFFAOYSA-N 453.583 4.794 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1 38650378 XKHVEOOCKIAWFZ-SANMLTNESA-N 456.498 4.515 50 10 JJGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)c1 38680340 ZRWDYJYREHBHMW-QHCPKHFHSA-N 464.880 4.990 50 10 JJGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)c1 38701245 FMIBUKOZAQFXGC-KAYWLYCHSA-N 498.535 4.829 50 10 JJGE COc1ccc(-c2cccc(C(=O)N/N=C/c3cc([N+](=O)[O-])cc(Br)c3O)c2)cc1 39715714 UKGYKWRXNXURNZ-FSJBWODESA-N 470.279 4.502 50 10 JJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2)c(OC)c1 40853347 XSWPKEYBZJPYOD-PXLXIMEGSA-N 457.482 4.817 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)N/N=C2\C(=O)N(Cc3ccccc3F)c3ccccc32)cc1 59167347 LHQSUTYVSTYDDQ-JVCXMKTPSA-N 459.521 4.569 50 10 JJGE COc1cccc(/C(CSc2nc3ccccc3o2)=N\NC(=O)c2cccc([N+](=O)[O-])c2)c1 59460594 OYMDMMFEBUACOH-QQTULTPQSA-N 462.487 4.671 50 10 JJGE CCCOc1ccc(C=NNC(=O)c2cccc(NN=Cc3ccc(OCCC)cc3O)c2)c(O)c1 254452545 SJMDYOYTGKSGFL-UHFFFAOYSA-N 490.560 4.885 50 10 JJGE COc1ccc(-n2c(SCC(=O)NN=C/C=C\c3ccco3)nnc2-c2ccc(C)cc2)cc1 254822496 HJUDQPVKPSRLOT-WYCVUTMGSA-N 473.558 4.752 50 10 JJGE O=C(NCCCCCCI)c1scc(Br)c1Br 707788889 FVRLNTVTDWEWCT-UHFFFAOYSA-N 495.018 4.998 50 10 JJGE Cc1ccc([C@@H](Br)c2cnn(C)c2I)c(C)c1Br 719585399 WJTOYRUCBRTGHW-GFCCVEGCSA-N 483.973 4.888 50 10 JJGE O=C(NN=Cc1c(O)ccc2ccccc12)[C@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1083929432 ODHVFQMUWUHFOU-LJQANCHMSA-N 472.423 4.592 50 10 JJGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)c4cccnc4)cc3[C@@H]3C=CC[C@@H]32)cc1 1084488485 XTXRNNHMEGUMHE-UMFSSWHCSA-N 466.541 4.849 50 10 JJGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccccc1 1084597775 FGOUQKGCAGZOCO-UHFFFAOYSA-N 460.559 4.783 50 10 JJGE CCCCCCc1cc2cc(/C(C)=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c(O)oc-2cc1=O 1088710179 ZGSDOXZXKGOARA-MFKUBSTISA-N 451.479 4.635 50 10 JJGE Cc1c(C(=O)N2CCCC[C@@H]2C)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744148 QUFASNVOYMRGFI-AWEZNQCLSA-N 472.383 4.836 50 10 JJGE CCOc1ccc(Br)cc1C=NNC(=O)COc1c(C)cc(Br)cc1C 1772753623 VUZBBCSVYSDNTL-UHFFFAOYSA-N 484.188 4.756 50 10 JJGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cccc(OC)c2OC)cc1 1865701408 UZSAEQPELJMUJI-HSZRJFAPSA-N 480.524 4.783 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1ccccc1C(=O)O 1865704198 PURSARWMHSNZBO-IBGZPJMESA-N 476.414 4.961 50 10 JJGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(CN3CCOCC3)CC2)n1 1868342208 NXGRPEAPBXKKGJ-UHFFFAOYSA-N 466.655 4.639 50 10 JJGE Cc1ccc(I)c(C(=O)NN(Cc2ccccc2)Cc2ccccc2)c1 1923938593 NBWXLLFHJHEEDB-UHFFFAOYSA-N 456.327 4.947 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2CCCC(C)(C)O2)C1 2065757142 UNIZCAKWSPWQOT-DNVCBOLYSA-N 467.388 4.555 50 10 JJGE CC[C@@H](C)[C@@H](CI)NC(=O)c1cc(Br)cc(Br)c1 2081236878 SYIMHSBBEPPGMU-PRHODGIISA-N 488.989 4.791 50 10 JJGE O=C(N[C@@H]1CCC[C@H]1CCCl)c1cc(Br)ccc1I 2090559306 JHTIKFSRPQEEPZ-TVQRCGJNSA-N 456.549 4.581 50 10 JJGE O=C(N[C@@H](CCl)c1cccs1)c1ccc(I)c(Br)c1 2119044732 RVZZLNKOKKGNAT-NSHDSACASA-N 470.557 4.825 50 10 JJGE CC(C)[C@H]1[C@@H](Cl)CCN1C(=O)c1cc(Br)ccc1I 2126095017 SEMQGTMAMYEOBV-AAEUAGOBSA-N 456.549 4.532 50 10 JJGE C[C@H](Br)CCCc1cn(-c2ccc(Cl)cc2I)nn1 2132765286 UOAWSLFBNOUIAU-VIFPVBQESA-N 454.537 4.631 50 10 JJGE CC1(C)CN(C(=O)c2ccc(Br)cc2I)CC[C@H]1Cl 2142285776 USQVLTRHBWXBOC-GFCCVEGCSA-N 456.549 4.533 50 10 JJGE CC[C@H](CCCBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 2154041931 LTZMNXBDMWELMY-SNVBAGLBSA-N 492.071 4.752 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CCC([C@H](F)CBr)CC1 2163247662 VHZINCCMACFFKL-GFCCVEGCSA-N 471.990 4.797 50 10 JJGE N#Cc1cccc(COc2c(Br)cc(Br)cc2CBr)n1 2182299112 REWZQNSSKOKEKC-UHFFFAOYSA-N 460.951 4.952 50 10 JJGE C[C@H]1[C@@H](C(F)(F)F)N(Cc2ccc(CBr)cc2)CCN1C(=O)OC(C)(C)C 2182844567 FXINNTNLUYUXQB-BBRMVZONSA-N 451.327 4.954 50 10 JJGE C[C@H](Br)[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2193585056 SXWLPRXXUDEIHE-CPCISQLKSA-N 466.022 4.692 50 10 JJGE CC(C)(C)OC(=O)N[C@@H]1CCN(CCCCCI)[C@H](C(F)(F)F)C1 2247410760 IIXKEWOEZKVLDG-OLZOCXBDSA-N 464.310 4.512 50 10 JJGE CS(=O)(=O)C1CC([C@H](Br)c2cc(Br)c(Br)s2)C1 2248997367 JHCHDKWXBKEWOR-BIFUPNIPSA-N 467.042 4.532 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(F)cc1 2313730510 YNDOJSZDNDWZHL-UHFFFAOYSA-N 474.488 4.755 50 10 JJGE CC(C)[C@H](CBr)N(C)C(=O)c1cc(Br)ccc1I 2318852295 MCMXCBCPQSXLHE-LBPRGKRZSA-N 488.989 4.545 50 10 JJGE CC(C)[C@H](CBr)N(C)C(=O)c1ccc(Br)cc1I 2318854092 BPAVFRAQJOJODF-LBPRGKRZSA-N 488.989 4.545 50 10 JJGE COc1ccc(Cc2nc3ccc(C(=O)NN=Cc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1 2323720597 MKBXURCZWGEVOT-UHFFFAOYSA-N 452.436 4.945 50 10 JJGE Cc1ccccc1COc1ccc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1 2328822720 GHSYLWNWOVBMQG-QHCPKHFHSA-N 453.583 4.964 50 10 JJGE C[C@@H]1[C@H](Br)CCN(C(=O)c2c(Br)cccc2Br)[C@@H]1C 2344514107 SNVNQGJEWKNUNM-IVZWLZJFSA-N 454.000 4.846 50 10 JJGE C=CCn1c(SCC(=O)N/N=C/c2ccccc2)nc2scc(-c3ccccc3)c2c1=O 9041527 ZZFMNFSASKNCMD-AFUMVMLFSA-N 460.584 4.553 50 10 JJGE COc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)c3nnc4n3CCCCC4)cc2OC)cc1 34799565 UOFOOHOYIPFJIX-JDOZLOAYSA-N 495.539 4.598 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1OC 38659434 KCFQVMFASRNCAY-RUZDIDTESA-N 456.498 4.840 50 10 JJGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1 38682357 SCZJTLWSAGAYDJ-XMMPIXPASA-N 489.509 4.519 50 10 JJGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)c1 38684383 MGRSOQXOBLNHCR-SANMLTNESA-N 456.498 4.678 50 10 JJGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)c1 38684921 YSETVENEJIYNLJ-PUAOIOHZSA-N 474.488 4.815 50 10 JJGE O=C(N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1ccccc1Br 40846340 FYWABKNJGQZNJQ-QQTULTPQSA-N 468.738 4.783 50 10 JJGE CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc(Br)c1O 40961572 JMSMXUCPMGDUKN-KIQCMGJBSA-N 463.372 4.769 50 10 JJGE O=C(N/N=C(/CSc1nc2ccccc2[nH]1)c1ccc(Br)cc1)c1ccccc1O 59460768 OTLSDGHWYSHXFQ-XHPQRKPJSA-N 481.375 4.957 50 10 JJGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)N[C@@H](C)CC)c(=O)oc3c2)cc1 206546262 LVOPJQYGMATYCU-IZQLPPHKSA-N 474.513 4.623 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C\c1ccc(C)cc1 206690898 HJACKINSZLNBEU-CQWOQECRSA-N 456.498 4.829 50 10 JJGE O=C(N[C@@H](CBr)c1ccccc1)c1cc(Cl)ccc1I 236066805 AYVYZQNNUBVHOA-AWEZNQCLSA-N 464.528 4.811 50 10 JJGE CCOc1ccccc1C=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 254796689 FBFLFBYVQRGHDK-UHFFFAOYSA-N 471.586 4.884 50 10 JJGE Cn1cccc1C=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 254798883 SSNLBASLTFNUFF-UHFFFAOYSA-N 472.618 4.813 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2cc(Br)ccc2O)C1 394737251 TWOZEPVWCGYBEP-ZWNOBZJWSA-N 482.156 4.540 50 10 JJGE Cc1cccc(C(=O)NN=Cc2ccc(OCc3ccccc3C#N)c(I)c2)c1 1084258137 KDWIYMFVHACSEZ-UHFFFAOYSA-N 495.320 4.814 50 10 JJGE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NN(C)c2ccccc2)c1 1457775467 RJTWKZLPLDQYQL-UHFFFAOYSA-N 455.967 4.503 50 10 JJGE C#CCOc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCC)cc3)c2C)cc1 1526039084 LSPRWOXKSOIHJY-ULJHMMPZSA-N 453.542 4.728 50 10 JJGE N#C/C(=C\c1cccc(Br)c1)C(=O)NC[C@@H](c1ccccc1)S(=O)(=O)c1ccccc1 1866130898 ROKNKHBVHWCBFP-YSSBIZNGSA-N 495.398 4.687 50 10 JJGE CSCC[C@@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(SC#N)cc1 1866575247 KSZLLDGOYMRSTQ-OAQYLSRUSA-N 452.605 4.550 50 10 JJGE CCC[C@@H](NC(=O)[C@H](Cc1ccncc1)c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866704609 YXVBEACYGLZFEF-DNQXCXABSA-N 458.587 4.905 50 10 JJGE CCCC[C@H](NC(=O)c1nc(C(F)(F)F)n2ccccc12)C(=O)Nc1ccc(SC#N)cc1 1867285647 BPGDSHKXMDYHPM-INIZCTEOSA-N 475.496 4.854 50 10 JJGE C[C@@H](Br)C[C@@H](C)NCc1ccc(I)c(Br)c1 1904336988 CBCWFLUUPHBPKT-RKDXNWHRSA-N 460.979 4.705 50 10 JJGE O=C(c1cc(I)sn1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1909914038 BHUQQXHYZZBXQP-AWEZNQCLSA-N 491.192 4.564 50 10 JJGE O=C(N[C@H](CCBr)C(F)(F)F)c1scc(Br)c1Br 1918577392 UNIWQFLNOCDGSJ-RXMQYKEDSA-N 473.934 4.719 50 10 JJGE CC1(C)CC[C@H](Br)[C@@H](CNC(=O)c2ccccc2I)C1 1927050421 LQWYYZLOFQTRNF-YPMHNXCESA-N 450.158 4.611 50 10 JJGE O=C(N[C@@H]1CCC[C@H]1CCBr)c1cc(Br)sc1Br 2030108878 BFKXILUHIHMWOY-IONNQARKSA-N 460.029 4.957 50 10 JJGE COc1cc(C)c([C@@H](Br)c2cc(I)sn2)cc1OC 2120031414 IWMIKTDYKUOBIX-CYBMUJFWSA-N 454.127 4.558 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@H](Br)[C@H]2CC[C@H]21 2133722556 JYEBKQYIBYXDBY-UBHAPETDSA-N 451.984 4.600 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1cc(Br)sc1Br 2139708171 JQXAYIGNRHGQKL-MFDQJXRNSA-N 472.040 4.955 50 10 JJGE O=S(=O)(N[C@H](CBr)CC1CC1)c1c(Cl)cc(Br)cc1Cl 2146590497 FQBMQJFZRWOGFK-VIFPVBQESA-N 466.022 4.598 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@@H]2C[C@@H](Br)CC[C@H]21 2150493572 BLTONQWRXOLXBV-GBIKHYSHSA-N 466.011 4.990 50 10 JJGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCCCC(F)(F)C(F)(F)F 2217218080 XPDBVRWVSXYOKJ-GFCCVEGCSA-N 475.236 4.699 50 10 JJGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(Br)c1 2217392638 LAKKTRRCNRNZPB-UHFFFAOYSA-N 479.209 4.953 50 10 JJGE O=S1(=O)CC([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)C1 2217617842 KCXKQBHIHHSKGQ-QMMMGPOBSA-N 457.398 4.890 50 10 JJGE C[C@H]1[C@@H](Cl)C[C@@H](C)CN1C(=O)c1ccc(I)c(Br)c1 2227600920 ODYIMDWNGINSPS-PTRXPTGYSA-N 456.549 4.532 50 10 JJGE C[C@@H](Br)CN(C(=O)c1ccc(I)c(Cl)c1)C1CCC1 2272431026 KVCIPRUJXRXFNV-SECBINFHSA-N 456.549 4.723 50 10 JJGE O=S1(=O)CCC[C@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288499365 SQVIPRFFEFYIOT-QUBYGPBYSA-N 496.993 4.751 50 10 JJGE CC1(C)[C@@H](NC(=O)Cc2cc(Br)cc(Br)c2)CC[C@H]1Br 2295313429 JSHQMFLFJBFJNB-OLZOCXBDSA-N 468.027 4.822 50 10 JJGE Cn1nc(Br)c(Br)c1[C@@H](Br)Cc1ccncc1Cl 2316718592 VIXCSNCKSPDIJX-ZETCQYMHSA-N 458.379 4.672 50 10 JJGE CN1CCN(c2ccc(NC=C(C#N)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)CC1 2318463116 WZAVNLXTPXUXMC-UHFFFAOYSA-N 463.891 4.569 50 10 JJGE COc1ccc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1OCc1ccc(Cl)cc1 2328799171 ODJWTPYZUKNSKG-FQEVSTJZSA-N 487.984 4.777 50 10 JJGE CC[C@@]1(C)[C@H](Br)CCN1C(=O)c1ccc(Cl)c(I)c1 2336757068 SLVOLDSVJZQDBS-OCCSQVGLSA-N 456.549 4.723 50 10 JJGE C[C@H](O[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1I)c1cccc(OC2CC2)c1 2342606248 CVNBSQSOPQPKOX-VHSSKADRSA-N 473.351 4.728 50 10 JJGE C/C(=N/NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1cc(Cl)cc(Cl)c1O 9540583 HZROVCHKJPCVOD-JJFYIABZSA-N 484.386 4.715 50 10 JJGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 14033124 ULDPNLIJCOZWMR-LJQANCHMSA-N 493.629 4.902 50 10 JJGE O=C(COc1ccc(Br)cc1)NNC(=O)OCCCc1ccc(Cl)cc1Cl 20478687 CBUZISMBWDGMNR-UHFFFAOYSA-N 476.154 4.525 50 10 JJGE O=C(NCc1ccc(CCl)cc1)c1cc(I)ccc1Br 236024669 LZGQMFBHIJKEFZ-UHFFFAOYSA-N 464.528 4.723 50 10 JJGE O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NN=Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 254290708 CPDRLVSAFBXIOU-QHCPKHFHSA-N 479.367 4.966 50 10 JJGE Cc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1 254722038 VGTFSLKKHXHFET-UHFFFAOYSA-N 467.319 4.506 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2C[C@@H]3CCCC[C@@H]3O2)C1 379132318 PNLXKYSSCHIBIT-OGNFBWPZSA-N 479.399 4.555 50 10 JJGE CC[C@H](Br)CCCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 398575229 PLAQDOPQOXXAHA-QMMMGPOBSA-N 468.038 4.988 50 10 JJGE C[C@]1(CCl)CCCN(C(=O)c2cc(I)ccc2Br)C1 688122694 DLLFIBAKDRCVBC-CQSZACIVSA-N 456.549 4.535 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@@H](CCl)[C@H](C(F)(F)F)C1 709821830 HYTULJUHFWMQBT-PHDIDXHHSA-N 455.521 4.762 50 10 JJGE CC[C@@H](C[C@@H](C)Br)NC(=O)c1cc(Br)ccc1I 716935727 DGFGMNDXVSOLOW-SCZZXKLOSA-N 488.989 4.736 50 10 JJGE CC(C)c1ccc(S(=O)(=O)c2ccc(NNC(=O)[C@@H]3Cc4ccccc4S3)cc2)cc1 821886289 AGCORWOBVPBPKJ-QHCPKHFHSA-N 452.601 4.803 50 10 JJGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(C(C)C)cc2)cc1 1083920281 HNSMFTOJRDZZNH-UHFFFAOYSA-N 477.630 4.502 50 10 JJGE COc1ccc2c(C)cc3nnc(SCC(=O)N/N=C4\C[C@H]5CC[C@@]4(C)C5(C)C)n3c2c1 1087755204 YXUMQJLWCJPXGH-XLYXHKRTSA-N 451.596 4.610 50 10 JJGE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C 1264281088 SBOONPSSXDKRPA-WSDLNYQXSA-N 450.535 4.797 50 10 JJGE COc1ccccc1/C(C#N)=C/c1cccc(OC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 1615179638 XIGGNFLSJRLMIV-OQKWZONESA-N 488.565 4.763 50 10 JJGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1C(=NNC(N)=O)CCC2 1772750036 JMRRWKJQIPGDAN-UHFFFAOYSA-N 452.898 4.995 50 10 JJGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)c3cncc(Br)c3)cc2)cc1 1858907249 QYMDCWHRGOPGNP-UHFFFAOYSA-N 483.347 4.958 50 10 JJGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)c1 1865689724 CZAZUKTYBFUDQC-GOSISDBHSA-N 458.415 4.706 50 10 JJGE CCOC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1NC(=O)/C(C#N)=C/c1ccc(C)cc1 1866127106 IUGCIMXNDFHQKK-QGOAFFKASA-N 493.361 4.974 50 10 JJGE O=C1N(c2cc(Br)c(Br)c(Br)c2)CC1(CCl)CCl 2035960239 RJHIXSQQPQEDSG-UHFFFAOYSA-N 480.809 4.785 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNc1cccc(Br)c1[N+](=O)[O-] 2061267248 ABDULZHPCOVTLS-UHFFFAOYSA-N 452.396 4.675 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C2CCC1(CBr)CC2 2092341561 BVUUYTWOVRDSIM-UHFFFAOYSA-N 451.984 4.744 50 10 JJGE O=C(N[C@@H](CBr)CC(F)(F)F)c1c(Br)cccc1Br 2094091768 XPRQXSOJWXQHRM-ZCFIWIBFSA-N 467.905 4.657 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CCC(CCBr)CC1 2094093100 MTWMRCZWSYSXDF-UHFFFAOYSA-N 454.000 4.849 50 10 JJGE COC[C@](C)(CC(CBr)(CBr)c1ccc(Br)cc1)OC 2198247224 AEEAYGFYRWDKCU-AWEZNQCLSA-N 473.043 4.918 50 10 JJGE Cc1cc(C(=O)NCC[C@@H]2CCCC[C@H]2Br)ccc1I 2207112306 XQDNDIFKDFFMJO-GXTWGEPZSA-N 450.158 4.673 50 10 JJGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCS(=O)(=O)C2)c(C)c1Br 2227350589 IEQRQHBSLKSYQV-ZANVPECISA-N 475.040 4.699 50 10 JJGE C[C@H]1[C@@H](Br)C[C@@H](C)CN1c1ncc(C(F)(F)F)cc1I 2235881178 AGNMCIOUEKQKDB-WEDXCCLWSA-N 463.079 4.703 50 10 JJGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1[C@H]2CCC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2241741490 NPRAUBNZTJGGLM-DRRXZNNHSA-N 461.441 4.994 50 10 JJGE C[C@H]1CC[C@@H](Br)CN1C(=O)Cc1cc(Br)cc(Br)c1 2277936907 PXSLKZOEAYJJOY-GXSJLCMTSA-N 454.000 4.529 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CC2(CCC2)C[C@@H]1CBr 2283651236 DPAWTXBESDFCIS-LLVKDONJSA-N 468.560 4.724 50 10 JJGE N#CC(=Cc1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)NCc1ccco1 2296722574 RYHBXRUCKUJGEQ-UHFFFAOYSA-N 481.295 4.610 50 10 JJGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 2314610631 KOLBKZKKBSCADH-UHFFFAOYSA-N 454.505 4.988 50 10 JJGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OC)cc1 2314634265 SIGBFZWIMBLFJN-AREMUKBSSA-N 454.482 4.541 50 10 JJGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OC 2320506713 PWZXYIJVINOWHC-UHFFFAOYSA-N 460.442 4.904 50 10 JJGE Cc1sc(C)c(S(=O)(=O)N[C@@H](CCCl)COCc2ccccc2)c1Br 2320663560 CWZAEBMBEZQFLU-HNNXBMFYSA-N 466.850 4.620 50 10 JJGE CCOc1ccc(CCNC=C(C#N)C(=O)N2CCC(Cc3ccccc3)CC2)cc1OCC 2324765336 DYRGBMKPTQOZRX-UHFFFAOYSA-N 461.606 4.505 50 10 JJGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2328799229 NHOQZHNRJRZTIE-NRFANRHFSA-N 459.974 4.918 50 10 JJGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OCc2ccc(F)cc2)c1 2328822707 BNJFFTHSAUIXIG-QFIPXVFZSA-N 457.546 4.794 50 10 JJGE O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1cc(Cl)cc(Cl)c1 10384287 GJSHAKCWZQIYJM-UHFFFAOYSA-N 468.134 4.749 50 10 JJGE CCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14032124 FTUSBJPPZMRSFQ-UHFFFAOYSA-N 477.399 4.766 50 10 JJGE N#C/C(=C/C1=C(N2CCOCC2)/C(=C\c2cccc([N+](=O)[O-])c2)CC1)C(=O)Nc1ccccc1F 33538353 UZIJVCHJJSDCHH-NLCYHYBPSA-N 474.492 4.586 50 10 JJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)cc1OC 38681149 ALZRBGVVADGYLO-RUZDIDTESA-N 472.472 4.836 50 10 JJGE N#C/C(=C\c1ccc(OC(=O)COc2cc(Cl)ccc2Cl)cc1)C(=O)NCc1ccco1 40929852 BJEFKZDHMJHKGN-MHWRWJLKSA-N 471.296 4.794 50 10 JJGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 58891232 QLPNOQGYGVLFKE-OSYJHYBZSA-N 456.502 4.562 50 10 JJGE CCCc1ccc(OCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OCC)cc1 206731584 AOSCFFNHPVLCSX-JCMHNJIXSA-N 488.540 4.839 50 10 JJGE Cc1cc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)no1 256019226 PUXPATJKRGUFNO-BIGNPOOSSA-N 485.014 4.607 50 10 JJGE O=C(NN=Cc1ccc(Cl)cc1Cl)[C@H]1C[C@@H]1C(=O)NN=Cc1ccc(Cl)cc1Cl 1083893719 YZFSNXMNEFOEED-GJZGRUSLSA-N 472.159 4.537 50 10 JJGE COc1cc(C=NNC(=O)c2ccccc2O)ccc1OCc1ccc(Br)cc1 1084300283 JNCOTVNGGRKVTG-UHFFFAOYSA-N 455.308 4.506 50 10 JJGE O=C(NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1cccc(Br)c1 1084624475 LLEWZRNYDUNUMS-UHFFFAOYSA-N 468.738 4.783 50 10 JJGE C#C[C@@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C)C1CCOCC1 1529522365 UWWCVFMXJDBOEL-BHSBJAHRSA-N 456.373 4.853 50 10 JJGE C/C(=C\C(=O)NNC(=O)[C@H](C)Oc1c(C)cc(Cl)cc1C)c1cccc(C(F)(F)F)c1 1540335683 HSIRAMGGDUYKMB-PABFRNLHSA-N 454.876 4.994 50 10 JJGE O=[N+]([O-])c1cc(Cl)ccc1[C@@H]1CN(Cc2ccccc2)C[C@H]1CI 1614629965 NMESQCPXFKJFRD-RHSMWYFYSA-N 456.711 4.899 50 10 JJGE C=CCC[C@H](NC(=O)NNC(=O)c1cncn1-c1ccccc1)c1ccc(C(F)(F)F)cc1 1685816917 CDWIZBJBWUUXLX-IBGZPJMESA-N 457.456 4.543 50 10 JJGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751545 FQJHPPWGIQTHNG-OAHLLOKOSA-N 475.520 4.885 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)ccc1O 1865681800 XFQFVRXXRDZKNO-GOSISDBHSA-N 490.869 4.926 50 10 JJGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706056 MMTDHSAABJWUHF-FQEVSTJZSA-N 467.888 4.803 50 10 JJGE COc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccc(C)c(C)c3)nc2C)c(C(C)(C)C)c1 1865756164 JMNOLJFHBXTLLC-UHFFFAOYSA-N 475.589 4.820 50 10 JJGE COc1cccc(-c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)no2)c1 1867146300 DZDOBYKEKQVQTA-QHCPKHFHSA-N 498.564 4.903 50 10 JJGE C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 1873794695 VPERDEKLLOOZAY-DSKMXOTJSA-N 466.365 4.936 50 10 JJGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1cc(I)sn1 1884459610 OBIRJRIILCEPSE-UHFFFAOYSA-N 479.181 4.564 50 10 JJGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC(Br)C1 1886115877 HCVUGDKTBDMMOQ-SDPWCEJBSA-N 485.422 4.982 50 10 JJGE C[C@H]1C[C@@H](Br)[C@H](C)CN1C(=O)c1cc(Br)sc1Br 2032202464 PIWJQOTURIJSGM-BKPPORCPSA-N 460.029 4.907 50 10 JJGE COCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Br 2059314791 QFWYDJRCPGMSIE-UHFFFAOYSA-N 491.245 4.571 50 10 JJGE O=C(c1cccc(Br)c1Br)N1[C@H]2CC[C@@H]1C[C@H](Br)C2 2098695692 TVJCNIMHDZCLSG-ILWJIGKKSA-N 451.984 4.742 50 10 JJGE C[C@@H]1C[C@H](CCl)CCN1C(=O)c1ccc(I)c(Br)c1 2115847618 MVKMXMBGWVRFMN-NXEZZACHSA-N 456.549 4.533 50 10 JJGE O=C(N[C@H](CBr)c1cscn1)c1c(Br)cccc1Br 2119039971 POYTUNUBJYCYPO-SECBINFHSA-N 468.996 4.534 50 10 JJGE CC1(C)CC[C@@H](CCl)N1C(=O)c1cc(I)ccc1Br 2140845506 UZYXLOJCIULYRU-JTQLQIEISA-N 456.549 4.676 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1[C@H](CBr)C[C@H]2CCC[C@H]21 2164656155 KISJIHKLWDZIJV-OLUVUFQESA-N 466.011 4.990 50 10 JJGE O=C(c1cc(I)ccc1Br)N1C[C@H](Cl)CCC12CCC2 2174540510 OVYNEKALXFZSTC-SNVBAGLBSA-N 468.560 4.820 50 10 JJGE Cc1cc(CBr)cc(S(=O)(=O)N(C)[C@H]2CC[C@H]2OCc2ccccc2)c1C 2179854872 ZHMXDSGSIJYFAZ-VQTJNVASSA-N 452.414 4.567 50 10 JJGE Cc1nccc2c1nc(CCl)n2-c1ccc(I)cc1Br 2183320506 PALLSIAVPJWXNM-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE O=C(NC[C@]1(CBr)C[C@H]1C(F)(F)F)c1cc(Br)sc1Br 2192581419 PUCRJQWNGJAALX-LHLIQPBNSA-N 499.972 4.966 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1c(Br)cccc1Br 2204578304 KATFKKPAUOYVFX-NGERZBJRSA-N 466.011 4.894 50 10 JJGE Cc1cc(C(=O)NC2(CBr)CCC(C)CC2)ccc1I 2207103043 APDLFNJPAXIRPZ-UHFFFAOYSA-N 450.158 4.673 50 10 JJGE O=C(NC[C@@]12CCC[C@]1(CBr)C2)c1cccc(Br)c1Br 2208032145 GMUDYCODWZXHLB-CABCVRRESA-N 466.011 4.897 50 10 JJGE ClC[C@@]12CCCC[C@H]1CN(c1ncc(I)cc1Br)C2 2230625895 VXZOQHMVAHJIQY-IINYFYTJSA-N 455.565 4.684 50 10 JJGE Cc1c(Br)cccc1CO[C@@](C)(CI)CNC(=O)OC(C)(C)C 2243594797 USBCNWFXMNQSBT-KRWDZBQOSA-N 498.199 4.993 50 10 JJGE CS(=O)(=O)C1CC([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)C1 2285271891 QJONZHPXJXITCP-SHOFKNTGSA-N 452.542 4.640 50 10 JJGE ClCc1nc2cnc(C3CC3)nc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2286629991 HUUXBYVJBVDFAC-UHFFFAOYSA-N 474.008 4.914 50 10 JJGE Brc1cccc([C@@H](CI)OC2(C3CCCC3)COC2)c1 2288566034 HTRXCZVLQDMYJQ-OAHLLOKOSA-N 451.142 4.901 50 10 JJGE Brc1cc(I)cnc1N1CC[C@H]2CC[C@H](Br)[C@@H]1C2 2310757661 VBLQGOBUXHEBRO-QRTLGDNMSA-N 485.989 4.591 50 10 JJGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OC 2313518688 OOGZGCKGBSIMGS-UHFFFAOYSA-N 468.678 4.507 50 10 JJGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc(C)cc1C(C)(C)C 2314737371 CFOYBZIZWBAGRQ-UHFFFAOYSA-N 464.562 4.717 50 10 JJGE COc1c(Cl)cc(CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Br)cc1Cl 2317894248 WFVMOPYOQOBSRW-BXUZGUMPSA-N 455.176 4.901 50 10 JJGE CC[C@]1(C)[C@H](Br)CCN1C(=O)c1ccc(Cl)c(I)c1 2336757069 SLVOLDSVJZQDBS-TZMCWYRMSA-N 456.549 4.723 50 10 JJGE COc1ccc(Br)cc1[C@@H](Br)c1c(Br)nc(C)n1C 2337320297 XLNNQRMCUBOLCV-LLVKDONJSA-N 452.972 4.746 50 10 JJGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc1 14037222 ZIHIIVKIMSYFQF-UHFFFAOYSA-N 475.614 4.579 50 10 JJGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCn2ccnc2)cc1 33934611 CVYIZJPUKVAMTH-OQKWZONESA-N 482.613 4.961 50 10 JJGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)c1 38684868 ZVYZMRKUTOAIMI-SANMLTNESA-N 456.498 4.596 50 10 JJGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(OC)c2)cc1 39858648 HOOAWFVYVIXPNL-CYVLTUHYSA-N 466.497 4.603 50 10 JJGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C)c(C)c1 101241985 MVKRGFOGYZRWNO-SSXUBFHHSA-N 496.430 4.794 50 10 JJGE COc1cc(Br)cc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)c1O 169891205 MEJHVCJOGKQGHY-RQSOKRQSSA-N 456.340 4.533 50 10 JJGE COc1cc(C=NNC(=O)CNc2ccc3ccccc3c2)ccc1COc1ccc([N+](=O)[O-])cc1 254618053 WILBKFWSSXKJEW-UHFFFAOYSA-N 484.512 4.898 50 10 JJGE COc1ccc(-c2cc(C(=O)NN=Cc3ccc(N(C)C)cc3)c3ccccc3n2)cc1OC 254711469 YYBABXCIXXOXDE-UHFFFAOYSA-N 454.530 4.749 50 10 JJGE CCOc1ccc(NC(=O)C(=O)NN=Cc2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1 254714168 SWKQQIOOUXREQM-UHFFFAOYSA-N 495.535 4.855 50 10 JJGE CC1(C)CN(C(=O)c2ccc(Br)cc2Br)CC[C@H]1Br 306090404 LMWUBFXDGPSVTN-GFCCVEGCSA-N 454.000 4.847 50 10 JJGE C[C@H]1[C@@H](CI)[C@@H](I)C[C@@H](C)N1Cc1ccccc1 306978331 BXBKPOFWLMUDRN-OSRDXIQISA-N 469.148 4.524 50 10 JJGE C[C@@H](Br)C[C@@H](C)CNC(=O)c1cc(Br)ccc1I 397820052 GWJYFWOBXJDDFQ-RKDXNWHRSA-N 488.989 4.593 50 10 JJGE C[C@@H](CCCCBr)NC(=O)c1cc(I)ccc1Br 398782562 MSJYAOVDVOWLMR-VIFPVBQESA-N 488.989 4.737 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)NCc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1Cl 725435198 WFXNNOAYPOAIGP-UHFFFAOYSA-N 477.779 4.821 50 10 JJGE O=C(NN=Cc1cc(Cl)cc([N+](=O)[O-])c1O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 1082753724 CZSCQLKMPOACDZ-UHFFFAOYSA-N 473.272 4.623 50 10 JJGE C=CCOc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1Br 1084218940 HMMOKKYJQCQXBC-GOSISDBHSA-N 496.199 4.740 50 10 JJGE C=CCOc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1Br 1084218941 HMMOKKYJQCQXBC-SFHVURJKSA-N 496.199 4.740 50 10 JJGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 1084274788 OXJLEEKESKLDFH-UFWORHAWSA-N 477.904 4.998 50 10 JJGE O=C(NN=Cc1ccccc1OCc1cccc(Br)c1)c1cccc(N2CCCC2=O)c1 1084441617 WVAQOFCEWZERIN-UHFFFAOYSA-N 492.373 4.919 50 10 JJGE O=C(NN=C(CSc1nc2ccccc2o1)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 1084597113 YMKHPXHTFBUCRU-UHFFFAOYSA-N 450.451 4.802 50 10 JJGE O=C(NN=C(CSc1nc2ccccc2[nH]1)c1cccc(Br)c1)c1ccccc1O 1084633993 SLSLHSMFUQVKCC-UHFFFAOYSA-N 481.375 4.957 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)c1O 1865684744 XFRXTTPVPMMHLS-INIZCTEOSA-N 476.842 4.536 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)cc1OCC 1865689186 MBIIBRLMLKCJKY-HSZRJFAPSA-N 462.525 4.648 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)c1OC 1865701223 PHOLBLBVNYRUAZ-QGZVFWFLSA-N 490.869 4.839 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1cccc([N+](=O)[O-])c1 1865706271 RWEHQRGFFLBBPL-MRXNPFEDSA-N 493.804 4.869 50 10 JJGE COc1ccc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc1OCc1ccc(Cl)cc1Cl 1873793600 RVEJTFNWHDRJGR-IETDBYTCSA-N 496.391 4.944 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCC(C)(C)C(F)(F)F)C1 1945433818 KPUGTJXNIXDWSJ-HNNXBMFYSA-N 465.294 4.796 50 10 JJGE C[C@H](NCCSSCCNC(=O)OC(C)(C)C)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 2023588274 ABFHKFBOVHMPRQ-OKZBNKHCSA-N 477.737 4.954 50 10 JJGE C[C@H]1CC[C@@H](CBr)N(C(=O)c2csc(Br)c2Br)C1 2048055140 CZCSQTNVCSQNLT-YUMQZZPRSA-N 460.029 4.909 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@@H]2CC[C@@]2(CBr)C1 2078144325 AJKWYIHNFQZVAR-JVXZTZIISA-N 458.013 4.520 50 10 JJGE Fc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)c(F)c1 2079243004 KNWCNAPJRREFEY-UHFFFAOYSA-N 481.000 4.728 50 10 JJGE CCc1ccc(CBr)cc1S(=O)(=O)N(C)C1CC(OCc2ccccc2)C1 2179857769 DTPYGNBTALJQMA-UHFFFAOYSA-N 452.414 4.512 50 10 JJGE CC(C)[C@H]1[C@H](Br)CCN1c1ncc(C(F)(F)F)cc1I 2182484874 ADGKVZATWIGGMQ-KOLCDFICSA-N 463.079 4.703 50 10 JJGE Cn1nc(Br)c([C@H](Br)c2cc(Br)sc2Br)n1 2210979696 ZADMMMFDDQCKDX-RXMQYKEDSA-N 494.832 4.648 50 10 JJGE COc1cc(Br)c([C@H](Br)c2c(Br)cnn2C)cc1C 2227734173 YGYXTSDXUAHUTQ-LBPRGKRZSA-N 452.972 4.746 50 10 JJGE Cc1ccc(I)c(C(=O)N(CCBr)C2CCCCC2)c1 2240910677 CDXDSPAENBGCSS-UHFFFAOYSA-N 450.158 4.769 50 10 JJGE CCCN(CCCBr)C(=O)Cc1cc(Br)cc(Br)c1 2277915768 LRUVJSUXBAVRIB-UHFFFAOYSA-N 456.016 4.778 50 10 JJGE CC(C)[C@@H](Br)[C@@H](C)NC(=O)Cc1cc(Br)cc(Br)c1 2277923354 FICZGYCJMHBNCA-YMTOWFKASA-N 456.016 4.678 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CCC[C@@H](Br)CC1 2277936713 OKUCVNOYYKVOJN-LLVKDONJSA-N 454.000 4.530 50 10 JJGE CC(C)[C@@H](CBr)N(C)C(=O)c1ccc(Br)cc1I 2318851757 BPAVFRAQJOJODF-GFCCVEGCSA-N 488.989 4.545 50 10 JJGE BrC[C@@H](Cc1ncc(I)cn1)c1ccc(Br)cc1 2328053155 KRGOVCPNLNSNEK-SNVBAGLBSA-N 481.957 4.565 50 10 JJGE CC(C)CN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2C1=O 2331232415 MOIQZHHYSHKLCQ-UHFFFAOYSA-N 474.498 4.920 50 10 JJGE ClCc1c(Cl)ncnc1OCc1ccc(I)c(Br)c1 2350076374 DZRHLOFARPMXOR-UHFFFAOYSA-N 473.923 4.815 50 10 JJGE CC(C)(C)OC(=O)NCC[C@@H]1CCN(C[C@H](CBr)C2CC2)[C@@H](C(F)(F)F)C1 2362814266 QETQURZBUCWKFT-VNQPRFMTSA-N 457.375 4.965 50 10 JJGE CC1(C)CC(CBr)(CN2C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)C1 2371132902 IFYMSFHULWUCHR-KGLIPLIRSA-N 457.375 4.823 50 10 JJGE CCOc1ccc(C(=O)NNC(=O)c2ccccc2OCc2ccccc2)cc1Br 14770492 XOXFXSLIHGZBED-UHFFFAOYSA-N 469.335 4.502 50 10 JJGE Cc1cc(OCCn2cc(/C=C(/C#N)C(=O)NC[C@H]3CCCO3)c3ccccc32)ccc1Cl 33489450 GKSGMMDURUCARK-PZNLSKEWSA-N 463.965 4.884 50 10 JJGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2)C1=O 38607571 CYGXVOBMGSAXJA-LFVJCYFKSA-N 464.525 4.716 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@H]1c1ccc(Br)cc1 38651824 QHIQUUXKECERMS-HSZRJFAPSA-N 461.315 4.815 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 38654432 PITGUSASRNHCDX-NRFANRHFSA-N 492.285 4.795 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc2ccccc2o1 40928942 SLYWFMHUKIMFRK-XDHOZWIPSA-N 456.454 4.867 50 10 JJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OCc3ccc(F)cc3)c(OCC)c2)C1=O 214303036 YOAQQWSCINLXAP-HAHDFKILSA-N 492.547 4.822 50 10 JJGE O=C1Cc2cc([C@H](Cl)c3cc(I)ccc3Br)ccc2N1 236039816 XWPCMZAJFMRVOF-HNNXBMFYSA-N 462.512 4.877 50 10 JJGE O=C(NN=Cc1ccccc1OCc1ccc(Br)cc1)c1cnc2ccccc2n1 254905557 XTFIJVTWEKSPQQ-UHFFFAOYSA-N 461.319 4.735 50 10 JJGE Oc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)cc1Br 383435226 WXIOOPRSMNPICC-CVEARBPZSA-N 472.164 4.805 50 10 JJGE CC[C@@H]1[C@@H](CCl)CCN1C(=O)c1cc(Br)ccc1I 385647176 KPZZQEIKJIUBHL-NOZJJQNGSA-N 456.549 4.533 50 10 JJGE COC[C@@H](CC(CBr)(CBr)c1ccc(Br)cc1)OC 709864678 IFQAEIXDJUXQEP-CYBMUJFWSA-N 459.016 4.528 50 10 JJGE C/C(=C\C(=O)NNC(=O)[C@H](C)Oc1c(C)cc(Cl)cc1C)c1ccc(C(F)(F)F)cc1 1463544180 FJRXEVASXCHRMO-RUMSDORHSA-N 454.876 4.994 50 10 JJGE O=C(Nc1cc([N+](=O)[O-])ccc1Cl)S[C@H]1[C@H](Cl)[C@H](Cl)N[C@@H](Cl)[C@@H]1Cl 1615949161 ULQNVJBLNOZLKP-RCZSTQMZSA-N 453.562 4.830 50 10 JJGE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1 1621669169 MRRYSLCBDMSWJQ-UHFFFAOYSA-N 454.442 4.585 50 10 JJGE CC(=O)N1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)CC12CCCCC2 1637947757 DSOIATHPJORNBT-KOEQRZSOSA-N 458.606 4.703 50 10 JJGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cccc5cccnc45)c(C)c32)c1 1772748504 YUDFFGLWHPVHDK-UHFFFAOYSA-N 468.513 4.868 50 10 JJGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1cccc(Cl)c1 1865693740 QXBOFPINFDGZOZ-NRFANRHFSA-N 450.926 4.850 50 10 JJGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)ccc1F 1865701883 HFSPBCDMYLWWAB-SFHVURJKSA-N 469.314 4.698 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(C(=O)O)cc1)C(C#N)=C(N)O2 1865708551 AYFHVOZXZPCMPJ-HXUWFJFHSA-N 466.900 4.593 50 10 JJGE CC/C(=C\C(=O)N[C@@H](CCSC)C(=O)Nc1ccc(SC#N)cc1)c1ccc(OC)cc1 1866690112 ZGOXHMQGXJFLOC-DKXPKDADSA-N 469.632 4.938 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)c(OC)c1OC 1872758991 AEHWBRBFHLIEAZ-SDXDJHTJSA-N 484.446 4.602 50 10 JJGE CCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 1885384366 HFTGBKUZXZREKC-UHFFFAOYSA-N 453.221 4.616 50 10 JJGE O=C(c1csc(I)c1)N1CC2(CCCC2)C[C@H]1CBr 1912765749 PAHBTFUHFFPLCN-NSHDSACASA-N 454.171 4.523 50 10 JJGE CC[C@@H](C)c1ccc(S(=O)(=O)N(C)C[C@H](Br)COCc2ccccc2)cc1 1916334900 LXPWDOVEILQVSP-XLIONFOSSA-N 454.430 4.801 50 10 JJGE O=C(CBr)c1cc(C(F)F)c(I)cc1OC(F)(F)F 2060389041 DKPFMHQIYIXWJV-UHFFFAOYSA-N 458.946 4.705 50 10 JJGE CC[C@H](C)[C@@H](CI)NC(=O)c1c(Br)cccc1Br 2081246567 OQOFZQMXNQKKDQ-GZMMTYOYSA-N 488.989 4.791 50 10 JJGE O=C(c1scc(Br)c1Br)N1CC[C@H](CBr)C(F)(F)C1 2090187212 DCZSRNAOFWBOQB-ZCFIWIBFSA-N 481.982 4.765 50 10 JJGE C[C@@H]1CCN(C(=O)c2c(Br)cccc2Br)C[C@H]1CBr 2094094501 CMEOAQSHBZXJJJ-NXEZZACHSA-N 454.000 4.705 50 10 JJGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1c(Br)cccc1Br 2104407653 IBIHKJPAWVHWNC-IWXIMVSXSA-N 451.984 4.503 50 10 JJGE BrCc1ccc(N2CC[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cc1Br 2129053461 NHHHSGGUTJWJKB-NHCUHLMSSA-N 480.244 4.824 50 10 JJGE Cc1cc(Br)c(C)c([C@@H](Br)C2(S(C)(=O)=O)CC2)c1Br 2136376837 JNGUWVNVFRTHDA-GFCCVEGCSA-N 475.040 4.842 50 10 JJGE C=CC[C@@](C)(CBr)CNC(=O)c1ccc(I)c(Cl)c1 2137194278 RFHAENRNKXUHAU-AWEZNQCLSA-N 456.549 4.652 50 10 JJGE O=C(NC[C@@]12CCC[C@]1(CBr)C2)c1csc(Br)c1Br 2142941210 UNDYRQGJVIIXDL-OLZOCXBDSA-N 472.040 4.958 50 10 JJGE CCCN1CCC[C@@H]([C@@H](Cl)c2cc(Br)c(Br)s2)S1(=O)=O 2145778782 NMTLRARQDQXXFS-QWRGUYRKSA-N 465.660 4.757 50 10 JJGE CC1(C)CC[C@H](Br)CN1S(=O)(=O)c1cc(Br)ccc1Br 2156089950 HYAMPKOGNNMYDB-JTQLQIEISA-N 490.055 4.538 50 10 JJGE CN(CCN(C[C@@H](CBr)c1ccccc1)CC(F)(F)F)C(=O)OC(C)(C)C 2163058897 OOLBBJZEZBWVNZ-MRXNPFEDSA-N 453.343 4.896 50 10 JJGE Cc1cccc(C(=O)N2CCCC(C)(C)[C@H]2CBr)c1I 2185802834 WURYKKUTDGSZFR-CYBMUJFWSA-N 450.158 4.625 50 10 JJGE CN(c1ncc(I)cc1Br)[C@@H](CCl)Cc1ccccc1 2296340206 ZPESLCOSJQNLPJ-CYBMUJFWSA-N 465.560 4.735 50 10 JJGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(C)c(C)c1 2314593663 QQBKOOJHVUMLEG-NRFANRHFSA-N 451.979 4.685 50 10 JJGE COCCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C(C)=C(C#N)C1=O 2314618109 HLAKQARNJIEPHA-UHFFFAOYSA-N 480.948 4.556 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)CNS(=O)(=O)c3ccc(C)cc3)n2)cc1Cl 2331399566 YKFILPJJHPZITK-UHFFFAOYSA-N 475.979 4.552 50 10 JJGE C[C@@H]1CC[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)[C@@H](OCc2ccccc2)C1 2349646041 LMVMAXMUXKMOMQ-LJFZDNNRSA-N 498.711 4.711 50 10 JJGE CCn1nc(Br)c(C[C@H](CBr)c2ccc(Br)cc2)n1 2351793200 ODFHECREDNDISA-SNVBAGLBSA-N 451.988 4.544 50 10 JJGE CC(C)C[C@H](CBr)CN=[S@]1(=O)CC[C@@H](CNC(=O)OC(C)(C)C)C1(C)C 2353823690 DRDPGJZRRPCFAO-MOZQLWJVSA-N 453.487 4.835 50 10 JJGE COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)CCl)c2cc(C)ccc2OC)cc1 3035320 FPFSUJYIEYGPDM-DEOSSOPVSA-N 458.986 4.774 50 10 JJGE CCOc1cc([C@@H]2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)cc(Br)c1O 9693603 LKZUSUIDYSCZOU-INIZCTEOSA-N 486.391 4.773 50 10 JJGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl 10683429 CIBGWBPFDJWIBJ-OXJNMPFZSA-N 459.974 4.577 50 10 JJGE Cc1cc(C)c(/C=N/NC(=O)COc2ccc(Br)cc2Br)c(C)c1 12583711 UNFZILZOUBXMOU-ZVBGSRNCSA-N 454.162 4.666 50 10 JJGE Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)S(=O)(=O)c1ccc(Cl)cc1 102685045 JGTYMYKMMSDRDU-RGEXLXHISA-N 477.929 4.787 50 10 JJGE COc1cc(C[C@H](Br)c2ccc(Br)cc2Br)ncn1 234994693 PHXDMIQRPGJOPI-LBPRGKRZSA-N 450.956 4.689 50 10 JJGE CC(=NNC(=O)c1ccncc1)c1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c1 254350936 PVMRHPPZBIRVQP-KRWDZBQOSA-N 450.926 4.603 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2c[nH]c3ccccc23)cc1OC 254382677 UBNWRQJXAJOXFV-UHFFFAOYSA-N 465.513 4.802 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CCC[C@@H](CBr)CC1 378735296 GBLUTSQNLCYDST-SNVBAGLBSA-N 456.549 4.582 50 10 JJGE CN(C(=O)c1ccc(I)c(Cl)c1)[C@@H](CBr)C(C)(C)C 689261010 OPNOTHVVWGIFMJ-LBPRGKRZSA-N 458.565 4.826 50 10 JJGE CN(Cc1cscc1Br)S(=O)(=O)c1cc(CCl)sc1Br 710032416 VYGYOLPBGAQKBD-UHFFFAOYSA-N 479.668 4.894 50 10 JJGE ClCc1nc2cc(I)ccc2n1CC1CN(Cc2ccccc2)C1 716241358 WSMBUJRMPHFGOF-UHFFFAOYSA-N 451.739 4.512 50 10 JJGE N#Cc1ccccc1COc1ccc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1Br 725398408 XABFIXHTAODZPV-HSZRJFAPSA-N 492.373 4.864 50 10 JJGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)c1C 853647910 HSZPFEAPLNUZCZ-JMRZKKETSA-N 471.985 4.682 50 10 JJGE COc1cc(C(=O)NNC(=O)N[C@@H](c2ccc(C(C)C)cc2)c2cccs2)cc(OC)c1OC 913625712 CWFVRHQXXSTIQR-QFIPXVFZSA-N 483.590 4.631 50 10 JJGE CC(C)Oc1ccc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 1084600584 RRZZRZDCFIJQQP-UHFFFAOYSA-N 493.629 4.943 50 10 JJGE N#C/C(=C\c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 1084619228 JQTSRGKWNPVKGJ-PTGBLXJZSA-N 491.551 4.854 50 10 JJGE CC(=O)c1ccc(OCCCC(=O)NNc2cc(C(F)(F)F)ccc2Br)cc1 1638168084 WBELPRHITMVNEI-UHFFFAOYSA-N 459.262 4.973 50 10 JJGE Cc1c(C(=O)NCc2cccnc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747073 CTINLSZJCGVLRM-UHFFFAOYSA-N 471.344 4.690 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865693360 VGKGTQCMZZXLFT-DEOSSOPVSA-N 480.524 4.783 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc2c(c1)OCCO2 1865697914 FMZNPPZOTCXPFF-KRWDZBQOSA-N 474.826 4.534 50 10 JJGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccccn2)C(C#N)=C(N)O3)cc1 1865700207 NCWLCGJNZOHAEU-OAQYLSRUSA-N 455.905 4.814 50 10 JJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(F)cc2)sc(C(=O)OCC(C)C)c1C 1866127489 LOWFFOXLWLAYES-MHWRWJLKSA-N 458.511 4.731 50 10 JJGE CC[C@](C)(NC(=O)c1c(C)cc(C)n(-c2ccccc2)c1=O)C(=O)Nc1ccc(SC#N)cc1 1867217015 VFEIXJDQFAEGJJ-SANMLTNESA-N 474.586 4.565 50 10 JJGE O=C(Cc1ccccc1I)N(Cc1ccccc1)[C@H](CCl)C1CC1 1915210489 SHGGHJZQCRFZPS-LJQANCHMSA-N 453.751 4.880 50 10 JJGE COc1ccc(Br)c(CN(C)C[C@@H](Br)COCc2ccccc2)c1 1916366296 HWKGJJWNXDBCER-QGZVFWFLSA-N 457.206 4.870 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 1989959316 MMDHATSRJQWKQX-MRXNPFEDSA-N 463.710 4.518 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H](Br)C2(CCC2)C1 2046395299 WJPSQKQXDOUMJG-SECBINFHSA-N 458.013 4.663 50 10 JJGE CN(C[C@@H]1CCC[C@@H]1Br)C(=O)c1cccc(Br)c1Br 2092334572 VUTIFXMTAAYNJS-ONGXEEELSA-N 454.000 4.847 50 10 JJGE C[C@H]1C[C@@H](Br)[C@H](C)CN1C(=O)c1cccc(Br)c1Br 2093116584 ZZFVRPIULAUSKA-VDDIYKPWSA-N 454.000 4.846 50 10 JJGE O=C(N[C@H]1CC[C@H](CBr)CC1)c1cc(Cl)ccc1I 2118468816 ROGLUGZSDKJCGX-HOMQSWHASA-N 456.549 4.628 50 10 JJGE C[C@@H]1C[C@@H](C(F)(F)F)N(C[C@@H](Br)C(F)(F)F)CCN1C(=O)OC(C)(C)C 2121770320 GTTYHNANVXCCDK-MXWKQRLJSA-N 457.253 4.574 50 10 JJGE O=C(NC[C@]12CCC[C@@]1(CBr)C2)c1cc(Br)sc1Br 2142941028 SGLQKJKZZHZOSR-QWHCGFSZSA-N 472.040 4.958 50 10 JJGE CN(Cc1cc(Cl)cs1)S(=O)(=O)c1cc(CBr)sc1Br 2179786366 ZOLNGYASIOXYJO-UHFFFAOYSA-N 479.668 4.941 50 10 JJGE CC(C)(C)OC(=O)N1CC(c2csc(NC(=O)c3ccc(CBr)cc3)n2)C1 2201920743 MBGHEUCIEWLEFT-UHFFFAOYSA-N 452.374 4.625 50 10 JJGE O=C(NCC1CC2(CC(Cl)C2)C1)c1ccc(Br)cc1I 2207266783 CAWQFKNGFKSMAP-UHFFFAOYSA-N 468.560 4.581 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2CCCC(F)(F)C2)CC1 2216644242 OBDIJMXWLSGNQO-ZDUSSCGKSA-N 459.315 4.786 50 10 JJGE O=C(c1csc(I)c1)N1C[C@@H](Br)CC12CCCCC2 2232254035 OOUXBBCHNGPGKA-NSHDSACASA-N 454.171 4.665 50 10 JJGE C[C@@H]1CC[C@H](CBr)CN1C(=O)c1ccc(Cl)c(I)c1 2268343311 WUAGHPKBEBSAQQ-NXEZZACHSA-N 456.549 4.580 50 10 JJGE CC(C)CO[C@@H]1[C@H](Br)C[C@H]1Oc1cc(I)ccc1Cl 2272638800 JAYPKZCJFLZWDJ-LERXQTSPSA-N 459.549 4.900 50 10 JJGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1ccc(C(=O)O)cc1 2293163814 HXRGHAFUORWWBR-UHFFFAOYSA-N 482.246 4.861 50 10 JJGE Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C#N)=Cc3ccc(C(C)C)cc3)cc2)nc(C)n1 2297308516 BFWAXJUFEFGXKK-UHFFFAOYSA-N 475.574 4.563 50 10 JJGE CC(C)(C)OC(=O)NC[C@]12CCC[C@H](CN(CCCCCI)C1)C2 2298080023 UKCQXCFQDLMGMG-QFBILLFUSA-N 450.405 4.609 50 10 JJGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1cc(Cl)sc1Cl 2303539037 NENHEKXURRMQAD-GFCCVEGCSA-N 473.241 4.704 50 10 JJGE Cc1cccc(Br)c1C(=O)N[C@@H](CCBr)COCc1ccccc1 2303547194 QATLPYVMVYSLCL-INIZCTEOSA-N 455.190 4.858 50 10 JJGE C[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@H]1CBr 2306225722 WUYIRNCJNTVDDW-MWLCHTKSSA-N 472.990 4.517 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C[C@@]3(CBr)CC3(F)F)CC2)C1 2379981974 RXXWSMSKZSZDRA-APWZRJJASA-N 451.396 4.766 50 10 JJGE C[C@H](NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 9869721 DWMHADGVQNMNDL-HZGBGQKMSA-N 469.936 4.778 50 10 JJGE CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 9873159 PMAXSAKDSSNDSX-OALUTQOASA-N 465.594 4.947 50 10 JJGE CC(/C=C/c1ccccc1)=N\NC(=O)COc1ccc(Br)cc1Br 12583962 ZSOICLUSEVPAER-WLGVBFMHSA-N 452.146 4.796 50 10 JJGE COc1ccccc1/C(C#N)=C\c1cccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)c1 31902733 SXVJDRPJVKBYEP-SILNSSARSA-N 466.493 4.741 50 10 JJGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3C)ccc21 38650067 SRFXKPVUQCFPEL-RUZDIDTESA-N 476.916 4.860 50 10 JJGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc21 38681512 VHHOATTZKDXREM-XMMPIXPASA-N 471.469 4.821 50 10 JJGE Cc1nc(C)c(C(=O)N/N=C\C=C\c2ccccc2)cc1C(=O)N/N=C\C=C\c1ccccc1 48523152 HLQDVAVUBDKUEJ-LFGXOECXSA-N 451.530 4.556 50 10 JJGE Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)cc2)n1 97553516 JQCUOZRTYGALFO-NHCUHLMSSA-N 466.994 4.604 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc(OC)c1OC 205651108 ILULEFKUWCAIKU-TXYHNWRPSA-N 498.535 4.858 50 10 JJGE CCOc1ccc(CCN/C=C(/C#N)C(=O)N[C@@H](C)c2cc(C)ccc2OCC)cc1OCC 217186227 YZYQTCPTKOEZCN-XLIXHQMESA-N 465.594 4.608 50 10 JJGE Cn1cc(CCC(CBr)(CBr)c2cccc(Br)c2)cn1 230928102 WBEOXPVFVKRZCY-UHFFFAOYSA-N 465.027 4.843 50 10 JJGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2F)cc1 254339478 BURMHRSHSHILTB-UHFFFAOYSA-N 469.557 4.752 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc(C(C)C)cc2)ccc1OC(=O)/C=C/c1ccccc1 254372375 IHGZFVNVHOFWIX-PGOGDREGSA-N 472.541 4.967 50 10 JJGE C[C@@H](CCl)[C@@H]1CCCCN1C(=O)c1cc(I)ccc1Br 696711238 FYSJWXISCUPQOE-HZMBPMFUSA-N 470.576 4.923 50 10 JJGE CC1(C)CC[C@H](CBr)N(C(=O)c2cc(Cl)ccc2I)C1 701593573 DDATUBZKCPCGRD-LLVKDONJSA-N 470.576 4.970 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)NC[C@H](c2ccco2)N2CCCC2)c(-c2ccc(Cl)cc2)n1 834677015 CFGHDRAWUCLMDF-QFXGEWDLSA-N 488.979 4.570 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(Br)cc1 1084101103 VXWWAJITOSVBPA-OVCLIPMQSA-N 494.183 4.794 50 10 JJGE CC(C)c1ccc(C=NNC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 1084399780 JELPCIOFUGPSQC-UHFFFAOYSA-N 454.618 4.892 50 10 JJGE CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)CC1 1521063579 IFJKBBNCXCMHCO-GNRLCUHXSA-N 452.643 4.698 50 10 JJGE CCOc1cc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)ccc1OC 1614689385 YVVZGXUOIHDBPW-RBUKOAKNSA-N 451.348 4.745 50 10 JJGE CCOC(=O)NN=C1CCCc2oc(C(=O)Oc3ccc(Br)c4cccnc34)c(C)c21 1772751549 UBKGSCFHUFIIKL-UHFFFAOYSA-N 486.322 4.904 50 10 JJGE C[C@@]1(CI)CC[C@H](c2ccc(Cl)cc2I)O1 1903698929 IVAOBGGLJCOXHC-NEPJUHHUSA-N 462.496 4.990 50 10 JJGE O=C(NCC[C@H]1CCC[C@@H]1Br)c1cc(Br)ccc1Br 1913719909 ACNQERDURQOGOE-SKDRFNHKSA-N 454.000 4.895 50 10 JJGE Cc1ccc(Br)c(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)n1 2003268833 XPXFAEYMRFRZLZ-QGZVFWFLSA-N 452.190 4.968 50 10 JJGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)Cc1ccc(O)c(Br)c1 2003584881 UIRFJQJMYWEIFN-MRXNPFEDSA-N 455.190 4.900 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2010827564 SQFIFZXBUQQTDZ-RCCFBDPRSA-N 475.721 4.518 50 10 JJGE Cc1cc(Br)c(C(=O)NC[C@H]2C[C@@H]2Br)cc1NC(=O)OC(C)(C)C 2020182604 GGEMSMKLWNDVBU-PWSUYJOCSA-N 462.182 4.618 50 10 JJGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Br)c1c(Br)sc(Br)c1Cl 2054217527 JDCNYNYXKNNCKD-UELCQGJWSA-N 499.471 4.653 50 10 JJGE C[C@@H]1C[C@H](Br)CCN(C(=O)c2ccc(I)c(Cl)c2)C1 2103287232 PAEIGFVBOJVUQL-MWLCHTKSSA-N 456.549 4.580 50 10 JJGE O=C(N[C@H]1CC[C@H](CCl)CC1)c1ccc(I)c(Br)c1 2118510681 QOHNLYGSSIVEJC-HOMQSWHASA-N 456.549 4.581 50 10 JJGE CC(C)(C)[C@@]1(CBr)CCN(C(=O)c2ccccc2I)C1 2160942704 SQVGQLCWYXLRRZ-MRXNPFEDSA-N 450.158 4.565 50 10 JJGE CC1(CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)CC2(CC(F)(F)C2)C1 2222927339 TZKJJHZWHSWJDT-CHWSQXEVSA-N 471.326 4.642 50 10 JJGE CC(C)(C)C1CC(CBr)(NC(=O)c2ccc(I)cc2)C1 2289826602 YYIMSAYYYIEAAC-UHFFFAOYSA-N 450.158 4.611 50 10 JJGE Cc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)C(=O)Nc1cccc(Cl)c1 2314534150 ZMEYIVLGNIDTII-UHFFFAOYSA-N 456.889 4.994 50 10 JJGE COc1ccc(Br)cc1C=CC(=O)Oc1ccc(C=C(C#N)C(=O)NC(C)C)cc1OC 2314772727 QPYRXBUPUUSWQS-UHFFFAOYSA-N 499.361 4.517 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCc1cc(F)ccc1C(F)F 2316335365 LZSBJCSGAMFEGB-KRWDZBQOSA-N 473.273 4.998 50 10 JJGE COc1cc(C=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OCCN1CCOCC1 2331432583 LCSOCHCAYFXMQE-UHFFFAOYSA-N 492.557 4.502 50 10 JJGE Cc1nn(C)c(OCc2c(Br)cccc2Br)c1CBr 2340647949 SJVZJSGGPUVROI-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE C[C@H]1[C@H](C)N(C(=O)c2cc(Br)cc(Br)c2)CC[C@H]1Br 2344519981 IDWFDIUODZWILX-MWODSPESSA-N 454.000 4.846 50 10 JJGE Clc1ccc(I)cc1CN1C[C@@H](CBr)C2(CCC2)C1 2352410955 QXIJHBVKJQMHMP-GFCCVEGCSA-N 454.577 4.942 50 10 JJGE CC(C)(C)OC(=O)NCC[C@@H](N(C[C@]1(CBr)CC1(F)F)C1CC1)C(F)(F)F 2379985692 KANCZOYQHFDACU-IUODEOHRSA-N 465.301 4.717 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(C)(C)C)CN(C[C@@]2(CBr)CC2(F)F)C1 2379988203 VNUFSAZODMOPJM-DOXZYTNZSA-N 453.412 4.916 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2C)cc1 14025494 JKVZZTBJZVOHGK-UHFFFAOYSA-N 477.399 4.865 50 10 JJGE C=CCOc1c(Cl)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1Br 58889328 JIKDIDMRWJBGBL-QRAWFLTRSA-N 451.748 4.631 50 10 JJGE O=C1Cc2cc([C@@H](Br)c3csc(I)c3)c(Cl)cc2N1 124425069 QAQIDUFSHDTUAD-ZDUSSCGKSA-N 468.541 4.985 50 10 JJGE O=C(NC[C@H]1CCCC[C@H]1CCl)c1cc(Br)ccc1I 236013648 AOABWIFFBDDANJ-WDEREUQCSA-N 470.576 4.829 50 10 JJGE O=C(NC[C@@H]1CCCC[C@H]1CBr)c1cc(Cl)ccc1I 236065771 YIXRXMIMMIKVJM-QWRGUYRKSA-N 470.576 4.876 50 10 JJGE Cc1ccc(OCC(=O)NN=C2C(=O)N(CCOc3ccc(C(C)(C)C)cc3)c3ccccc32)cc1 245265335 GCBRRCPIPHCRCM-UHFFFAOYSA-N 485.584 4.617 50 10 JJGE Cc1nc2ccccn2c1C(=O)NN=Cc1cc(C)n(-c2ccc(Br)cc2)c1C 252596692 CLDNIYANXXMZBC-UHFFFAOYSA-N 450.340 4.577 50 10 JJGE Cc1cccc(OCC(=O)NN=C2C(=O)N(Cc3cccc4ccccc34)c3ccccc32)c1C 252616610 KBSAFMBSVGTBOX-UHFFFAOYSA-N 463.537 4.903 50 10 JJGE COc1cc(C=NNC(=O)c2cc3c(s2)CCCC3)ccc1OCC(=O)Nc1ccc(C)cc1 254306720 AYBAWKZIXIBHQW-UHFFFAOYSA-N 477.586 4.725 50 10 JJGE Cn1cc(Br)c([C@H](Br)c2c(Br)cc(F)c(F)c2F)n1 693050298 CZOBXXTUWAXVAH-MRVPVSSYSA-N 462.889 4.847 50 10 JJGE Brc1cc2c(cc1[C@@H](Br)c1ncsc1Br)OCCO2 698656952 ZDDIWYJUWJFKCL-SNVBAGLBSA-N 469.980 4.924 50 10 JJGE BrCc1cc(Br)ccc1N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 705933962 NOCFKWPEXVPSDY-HDICACEKSA-N 450.218 4.912 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)NCCc2cc(F)cc(F)c2)c(-c2ccc(Cl)cc2)n1 748687516 GCRFUMNOONQZSB-LDADJPATSA-N 465.891 4.661 50 10 JJGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772744774 JIXWMVJCBLAYAV-UHFFFAOYSA-N 457.461 4.965 50 10 JJGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772746505 CRLZVAWDLKYCPF-UHFFFAOYSA-N 480.908 4.801 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681731 VFOJZGHHAHGENF-QHCPKHFHSA-N 468.488 4.670 50 10 JJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)c1 1865693792 ZAPIGJQZUAVRJW-HSZRJFAPSA-N 450.498 4.775 50 10 JJGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865700925 HTBUEPJXCPCOKK-OAQYLSRUSA-N 464.953 4.773 50 10 JJGE CCn1nc(C)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 1865704912 HUHYDUIXOFVVBK-NRFANRHFSA-N 499.354 4.964 50 10 JJGE CS(=O)(=O)c1ccccc1C(=O)N/N=C\c1cn(CCOc2ccc(Cl)cc2)c2ccccc12 1865761566 NFIXNMIETAUOSB-YUMHPJSZSA-N 495.988 4.541 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)c(OC)c1OC 1872759200 HAEYDZZZVWPBDJ-HKWRFOASSA-N 482.518 4.760 50 10 JJGE Cn1nc([C@H](Br)c2sc(Cl)cc2I)cc1Br 1901026125 NIAUUJXNLYWBIN-QMMMGPOBSA-N 496.393 4.986 50 10 JJGE O=C(Nc1ccc(F)c(CBr)c1)c1ccc(F)cc1I 1924875164 HDYSEZPOFKYTQN-UHFFFAOYSA-N 452.036 4.717 50 10 JJGE C[C@@H]1C[C@H](Br)CCN(C(=O)c2cc(Br)c(Br)s2)C1 2041566437 KJBQHEDMMOQADQ-HTQZYQBOSA-N 460.029 4.909 50 10 JJGE O=C(N[C@H]1C[C@@H]([C@H](F)CBr)C1)c1cc(Br)c(Br)s1 2078365164 WOKAQNQQELBVRF-GKROBHDKSA-N 463.992 4.515 50 10 JJGE CC[C@](C)(CCBr)NC(=O)c1ccc(Br)cc1I 2086147204 KNTPWCUQWHNUGE-CYBMUJFWSA-N 488.989 4.737 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@H](Br)CC12CCC2 2099390553 YQTVTVZMUGJHKQ-SECBINFHSA-N 451.984 4.744 50 10 JJGE C[C@H](CCCCCI)NC(=O)c1ncc(Br)cc1Cl 2120543598 HWOQBJFIASSYTD-SECBINFHSA-N 459.553 4.611 50 10 JJGE C[C@H]1CC[C@H](CCl)N(C(=O)c2ccc(Br)cc2I)C1 2142285364 OQCMGGQGUOGEAZ-GXSJLCMTSA-N 456.549 4.533 50 10 JJGE C[C@H]1CCC[C@](CBr)(NC(=O)c2cc(I)ccc2F)C1 2169665791 XDCVSOCOGMVWQM-BONVTDFDSA-N 454.121 4.504 50 10 JJGE C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(CBr)cc2Cl)CN1Cc1ccccc1 2179791083 MKRHOFUFDGTJPE-YJBOKZPZSA-N 471.848 4.518 50 10 JJGE O=C(c1cccc(Br)c1Br)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2184574193 KTGFOFKMMJZNDX-JGPRNRPPSA-N 466.011 4.990 50 10 JJGE Cc1cc(C(=O)N[C@@H]2C[C@@H](Br)CC(C)(C)C2)ccc1I 2207106314 WZIMMZRHCBUWOJ-CHWSQXEVSA-N 450.158 4.672 50 10 JJGE BrC[C@@]12CCCO[C@@H]1CN(Cc1ccc(Br)cc1Br)C2 2238828820 XMHUDHLSBIOGCT-HUUCEWRRSA-N 468.027 4.588 50 10 JJGE C[C@@]1(CNC(=O)c2ccc(I)c(Cl)c2)CCC[C@@H]1Br 2271298370 QYVBELIIIKWHIN-JSGCOSHPSA-N 456.549 4.628 50 10 JJGE CC[C@@H](Br)CN(CC)C(=O)Cc1cc(Br)cc(Br)c1 2277920456 QJRSPMCINQIMCL-LLVKDONJSA-N 456.016 4.776 50 10 JJGE Cc1nn2c(=O)cc(COc3ccc(C=C(C#N)c4nc5ccccc5[nH]4)cc3Cl)nc2s1 2297350764 PPFQWWFDLNMHNI-UHFFFAOYSA-N 474.933 4.632 50 10 JJGE CC(C)[C@@H](CBr)N(C)C(=O)c1cc(I)ccc1Br 2318832168 CUMJHUSLZOOFBO-GFCCVEGCSA-N 488.989 4.545 50 10 JJGE CCCCO[C@@H]1[C@@H](Cl)C[C@H]1Oc1cc(Br)cc(I)c1 2338756913 DYMGURFDFKNHOA-BFHYXJOUSA-N 459.549 4.998 50 10 JJGE COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)CCl)c2cc(C)ccc2OC)cc1 3035322 FPFSUJYIEYGPDM-XMMPIXPASA-N 458.986 4.774 50 10 JJGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc(C)c1Cl 12403474 YHLJTQIDMMNBMT-UHFFFAOYSA-N 497.817 4.622 50 10 JJGE CC(C)/C(=N\NC(=O)COc1ccc(Br)cc1Br)c1ccccc1 12584092 OBNVBKKWMYHYBD-RELWKKBWSA-N 454.162 4.767 50 10 JJGE CCc1nn(-c2ccc(F)cc2)c(N2CCN(C(C)C)CC2)c1CN(CC(C)C)C(=O)[C@H](C)Cl 34835357 GUHOKIHHNCVTTR-FQEVSTJZSA-N 492.083 4.716 50 10 JJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)cc1OC 38680972 ZOZWWUQEYLOAQX-QHCPKHFHSA-N 460.511 4.759 50 10 JJGE C[C@H](NC(=O)C(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)c1ccccc1 59379203 ZZJPIOZTLPUEAA-MJDZGMBVSA-N 451.526 4.746 50 10 JJGE Cc1nn(CCC#N)c2c1[P@@](=O)(c1ccccc1)/C(=C1\N(C)c3ccccc3C1(C)C)C=N2 101082862 BOYYVOYJWHCCAD-OBEYKLLASA-N 455.502 4.774 50 10 JJGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OC)cc1 206270609 MQIKLADUUQNSMX-JDOZLOAYSA-N 474.513 4.857 50 10 JJGE CCOc1ccc(CCN/C=C(/C#N)C(=O)N[C@H](C)c2cc(C)ccc2OCC)cc1OCC 217186232 YZYQTCPTKOEZCN-AFHODHPKSA-N 465.594 4.608 50 10 JJGE CC(=O)c1cccc(NC(=O)/C(C#N)=C\N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 217242493 DHJBLAKSHOMENB-QLYXXIJNSA-N 464.569 4.642 50 10 JJGE O=C(NCC1CCC(Br)CC1)c1cc(Br)ccc1Br 227782849 QGUVJPACSJCSAW-UHFFFAOYSA-N 454.000 4.895 50 10 JJGE COc1c(Br)cc(C=NNC(=O)c2cccc(Br)c2)cc1Br 252617144 KNAUHCLNFWWNFQ-UHFFFAOYSA-N 490.977 4.747 50 10 JJGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1cccnc1)[C@H]2Br 256022831 SRFHYPAHOPWXIM-LKTVYLICSA-N 481.026 4.706 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](c2cccc(I)c2)[C@@H](CBr)C1 394775043 INJAZRWYMWCSJM-GXTWGEPZSA-N 466.157 4.637 50 10 JJGE C[C@H]1CCN(C(=O)c2cc(Br)c(Br)s2)C[C@@H]1CBr 700414021 DMYADGUAZCMENI-YUMQZZPRSA-N 460.029 4.766 50 10 JJGE Cc1cn(C)nc1CC(CBr)(CBr)c1cccc(Br)c1 723934388 FCBGXLZEUAVQLX-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE Cc1ccc(NCCCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)cc1 1084362563 OMDFIJVWHRZWNC-UHFFFAOYSA-N 469.177 4.568 50 10 JJGE C/C(=C/c1ccc(Cl)cc1)C(=O)NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 1160341118 FSPIJOKAMPXBOI-OWBHPGMISA-N 450.951 4.913 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2ccc(Cl)cc2[N+](=O)[O-])C1 1614629477 JWWGMACKMAOXCQ-WMLDXEAASA-N 453.720 4.995 50 10 JJGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)cc1O)C(C#N)=C(N)O2 1865680970 BGXWGVINDMQRQV-FQEVSTJZSA-N 471.344 4.820 50 10 JJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)c1 1865693371 VIQHQWFZNLWTOY-DEOSSOPVSA-N 482.515 4.973 50 10 JJGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccccn1 1865693432 OHHSLIAFYAONQU-HSZRJFAPSA-N 495.539 4.568 50 10 JJGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CCC)cc1OC 1865696237 CTUXZVYFLCPRQG-QGZVFWFLSA-N 450.461 4.718 50 10 JJGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)c1O 1865697085 WQLKODNVNPCXSF-LJQANCHMSA-N 495.377 4.901 50 10 JJGE Cn1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)c2ccccc21 1865699551 WQLPPQZHIGNNSK-LJQANCHMSA-N 467.426 4.799 50 10 JJGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1865700520 WFVJQARATPKDNX-DEOSSOPVSA-N 463.541 4.837 50 10 JJGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 1865709351 AFQFQKSCFBNVFH-LJQANCHMSA-N 456.289 4.673 50 10 JJGE CN(C[C@H]1C[C@H](Br)C1)C(=O)c1cc(Cl)cc(Cl)c1I 1887832632 HYTVTDTYEZKGTQ-ZKCHVHJHSA-N 476.967 4.844 50 10 JJGE C[C@](CCl)(CBr)OCc1ccc(I)c(Br)c1 1904373508 GXXCWPNRQNZZBE-LLVKDONJSA-N 482.381 4.963 50 10 JJGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CCCCS2(=O)=O)c1Br 1922898819 YGCRUSZRVSOKLW-CBAPKCEASA-N 481.069 4.985 50 10 JJGE CN(c1ncc(I)cc1Br)C1(CBr)CCCCC1 2069530774 ZRSXYNXGMRQAOB-UHFFFAOYSA-N 488.005 4.983 50 10 JJGE CCOc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)cc1 2079241788 SHEHUPGOCJAYSW-UHFFFAOYSA-N 489.073 4.848 50 10 JJGE BrCCOC1CCN(Cc2ccc(Br)cc2Br)CC1 2092261698 SLZYUKBVSGYFRP-UHFFFAOYSA-N 456.016 4.588 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CCC2(CC(Br)C2)C1 2117404047 BDMYMTUAJKSQFQ-UHFFFAOYSA-N 451.984 4.601 50 10 JJGE Cc1csc(CBr)c1S(=O)(=O)N(Cc1ccccc1)CC1CCOCC1 2123243324 IGIOYDGQAMXHEZ-UHFFFAOYSA-N 458.443 4.569 50 10 JJGE BrCCCO[C@@H]1CCN(Cc2ccc(Br)cc2Br)C1 2142043680 GUPXWKDWQBSMTA-CYBMUJFWSA-N 456.016 4.588 50 10 JJGE C[C@H]1C[C@H](Br)[C@H](C)CN1c1ncc(C(F)(F)F)cc1I 2149531796 PYJGJWIUGNANFY-WEDXCCLWSA-N 463.079 4.703 50 10 JJGE C[C@@H]1Cc2cc([C@@H](Br)c3cc(Br)n(C)n3)cc(Br)c2O1 2150478512 LIUNJYNSRUNYQM-FUXBKTLASA-N 464.983 4.753 50 10 JJGE ClCCc1nc2cncc(Br)c2n1-c1ccccc1I 2151787611 BKQGGXLUUKSCOG-UHFFFAOYSA-N 462.516 4.569 50 10 JJGE CC(C)(C)[C@H]1[C@@H](Cl)CCN1C(=O)c1cc(I)ccc1Br 2185112639 CYIKTBKZMRDZSG-QWHCGFSZSA-N 470.576 4.922 50 10 JJGE C[C@@H](CO[C@@H](CI)c1cccc(Br)c1)N1CCCCC1 2186731956 BRVXQUZRCOLILF-BBRMVZONSA-N 452.174 4.816 50 10 JJGE Brc1cc(I)cnc1N1C[C@H](Br)CC12CCCC2 2224091851 BYVYNALWHGEEEQ-SECBINFHSA-N 485.989 4.735 50 10 JJGE CC12COC(CO[C@@](C)(CI)c3ccccc3Br)(C1)C2 2281027590 IIRQGWAPTWPBIF-PCKAHOCUSA-N 451.142 4.685 50 10 JJGE Ic1cccc(CO[C@@H]2CCCCC[C@H]2I)c1 2302682888 NPQOLIFAKMYUFJ-ZIAGYGMSSA-N 456.105 4.944 50 10 JJGE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(Cl)cc2)c1 2314533640 SMOMFVIWKLHCSJ-UHFFFAOYSA-N 456.889 4.994 50 10 JJGE FC1(F)C[C@@H](CBr)N(Cc2cc(I)ccc2Cl)C1 2327392171 XOOZCLMBWDQYPE-JTQLQIEISA-N 450.492 4.549 50 10 JJGE C[C@H](Br)CCCc1cn(Cc2cc(I)ccc2Cl)nn1 2380458501 VGMAXXYLQZMXAS-JTQLQIEISA-N 468.564 4.691 50 10 JJGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 1888978 PSCPCJIHRJWPLW-BSSRNLCFSA-N 489.547 4.750 50 10 JJGE Cc1ccc(S(=O)(=O)Nc2ccccc2C=NNP(=O)(c2ccccc2)c2ccccc2)cc1 2326589 COTXWMMYOZPNQU-UHFFFAOYSA-N 489.537 4.648 50 10 JJGE O=C(NNC(=O)c1ccccc1OCCc1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 10509300 NUMOWCHLUKFYGM-UHFFFAOYSA-N 479.536 4.635 50 10 JJGE O=C(NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 12502674 METFRQRZQUXLHD-UHFFFAOYSA-N 465.578 4.821 50 10 JJGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N/N=C/c1cccc2ccccc12 20805524 GXBNXOSVFPCXFA-OGLMXYFKSA-N 464.554 4.725 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OCCOc1ccc(Br)cc1 33404322 BLNWOQWCPQFADO-AQTBWJFISA-N 497.345 4.732 50 10 JJGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1NN(c1ccccc1)c1ccccc1 40777842 BWFYOOPYNYIVHA-UHFFFAOYSA-N 490.365 4.743 50 10 JJGE N#C/C(=C1\C(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccc(Cl)cc21)c1nc2ccccc2[nH]1 50568169 HEUYTICVORTTPG-PTGBLXJZSA-N 471.879 4.775 50 10 JJGE C/C(CC(=O)Nc1ccc(C)c(Cl)c1)=N/NC(=O)COc1ccc(C)cc1Br 100996612 AXUIUINCBPLRGW-OYKKKHCWSA-N 466.763 4.619 50 10 JJGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)/C(C#N)=C\NCCc1ccccc1Br 217187645 ZKPHTIUOGJNVCW-JFPYRBRCSA-N 456.384 4.573 50 10 JJGE CC(C)(C)OC(=O)NC[C@@](C)(CI)O[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 303741140 HCDSSOKKRWELAR-TWKYDXJASA-N 451.389 4.936 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CCC[C@@H](CBr)CC1 386034814 CKAXXSPLROYWMD-MRVPVSSYSA-N 460.029 4.910 50 10 JJGE C[C@@H](Br)CC(C)(C)CNC(=O)c1ccc(I)c(Cl)c1 393550516 CWYSILBTIHNHMJ-SECBINFHSA-N 458.565 4.874 50 10 JJGE C[C@@H](Cl)[C@@H]1CCCCN1C(=O)c1cc(I)ccc1Br 688777521 OHKDOHYJSNRQJN-RNCFNFMXSA-N 456.549 4.676 50 10 JJGE C[C@@H]1CCN(C(=O)c2scc(Br)c2Br)C[C@H]1CBr 705446943 DKIJJKGHNVEOQX-HTQZYQBOSA-N 460.029 4.766 50 10 JJGE O=C(c1cc(Cl)ccc1I)N(CCBr)c1ccccc1 714533901 BYGXJHXVCFTONM-UHFFFAOYSA-N 464.528 4.986 50 10 JJGE O=C(NNc1nc(-c2ccccc2)no1)c1cccnc1Oc1ccc(F)cc1Br 728079805 DQOFPVFYWRWHKS-UHFFFAOYSA-N 470.258 4.582 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2cccnc2Cl)c(C)n1-c1ccc(F)cc1 729350409 AKQWLPYKYRXBQJ-UWCCDQBKSA-N 466.900 4.759 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)Oc2cccc(I)c2)c(-c2ccccc2)n1 916855552 FPCYMCLJOZWIHW-SFQUDFHCSA-N 494.292 4.581 50 10 JJGE C[C@H](NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 917700043 GIYKXTWDPHUOAU-JJBLJPBOSA-N 474.908 4.810 50 10 JJGE COc1ccc(OC)c(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c1 1084057751 JRPVVEGFJAKZTE-UHFFFAOYSA-N 489.359 4.507 50 10 JJGE O=[N+]([O-])c1cccc(N=NN(CC(CCl)(CCl)[N+](=O)[O-])c2cccc([N+](=O)[O-])c2)c1 1084171958 CRBHDVZDCJTFMP-UHFFFAOYSA-N 457.230 4.501 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)cc1 1084300402 BTGHXXDFDOWIGY-HSZRJFAPSA-N 465.506 4.834 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)cc(Br)c1O 1865688292 OODULBYPJUOEBO-NRFANRHFSA-N 495.377 4.633 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865698838 DLPNKXZRLYGJCG-JOCHJYFZSA-N 471.948 4.817 50 10 JJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc1 1865709651 ZFOSVTLPTUUKCG-DEOSSOPVSA-N 492.535 4.612 50 10 JJGE CC(C)CSc1ccc(C(=O)NNC(=O)CCC(=O)c2ccc(Br)cc2)cc1 1865758056 HCRXBEYSGSOEKC-UHFFFAOYSA-N 463.397 4.621 50 10 JJGE CC[C@@H](NC(=O)CCc1nc(-c2ccc(F)cc2)cs1)C(=O)Nc1ccc(SC#N)cc1 1867069553 XHERZNXREQVKPG-LJQANCHMSA-N 468.579 4.988 50 10 JJGE CN(C[C@@H](Cl)COCc1ccccc1)C(=O)c1cc(Cl)ccc1I 1916354393 JEVRBAKGSYEFSD-OAHLLOKOSA-N 478.157 4.841 50 10 JJGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1cc(Br)cc(Br)c1 2104410110 CUMUDWVITAMGTC-BCWBERDBSA-N 451.984 4.503 50 10 JJGE CC[C@@H](Br)CN(C(=O)c1ccc(Br)cc1Br)C1CC1 2107406665 KCHKAYGCHYMJOV-SECBINFHSA-N 454.000 4.990 50 10 JJGE O=S(=O)(c1ccc(CCl)cc1Br)N1CCC[C@H](OCc2ccccc2)C1 2129814514 OQKJCLCQOQOFNH-KRWDZBQOSA-N 458.805 4.558 50 10 JJGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@H]1C 2179819291 KENLHFZPMXSRPT-YESZJQIVSA-N 471.486 4.623 50 10 JJGE C[C@@H]1C[C@H](Br)[C@@H](C)N(C(=O)c2cc(Br)c(Br)s2)C1 2220342610 AVNTWUXLLISSGF-PRJMDXOYSA-N 460.029 4.907 50 10 JJGE C[C@H](Br)CN(C(=O)c1cc(Br)cc(Br)c1)C1CCC1 2272443920 HNPGYTVUQVZSES-VIFPVBQESA-N 454.000 4.990 50 10 JJGE CCCOc1ccccc1C=CC(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1OC 2314774558 OMZDBVVDMMQCAS-UHFFFAOYSA-N 486.524 4.919 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H]2CC(Br)C[C@@H](C2)C1 2338794481 DVQTWVCWMQCAGH-HTQZYQBOSA-N 472.040 4.909 50 10 JJGE COC[C@@H](C)OC[C@H](Cl)CCc1ccc(I)c(Br)c1 2349849078 ZPHBHYVNXIGBQV-ZYHUDNBSSA-N 461.565 4.645 50 10 JJGE Cn1nc(Br)c(Br)c1[C@H](Br)c1c(F)c(F)cc(F)c1F 2364063110 GIMUEIDRKOKBMN-ZCFIWIBFSA-N 480.879 4.986 50 10 JJGE CC1(C)CCN(C(=O)c2ccc(Cl)cc2I)C[C@H]1CBr 2365598451 QLIHHDHAOJUGML-SNVBAGLBSA-N 470.576 4.828 50 10 JJGE Cc1cc(OCC(=O)NNC(=O)COc2cccc3ccccc23)c(C(C)C)cc1Br 12490359 GIMRDXLXKRXCEW-UHFFFAOYSA-N 485.378 4.639 50 10 JJGE Cc1ccc(CN2c3ccccc3C3=C([C@@H](c4ccccc4C)C(C#N)=C(N)O3)S2(=O)=O)cc1 20558598 BCUJBBDKJGBGRP-DEOSSOPVSA-N 469.566 4.830 50 10 JJGE N#C/C(=C/c1cn(Cc2ccccc2F)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 33345576 TXSSYBXEQZKZNF-NDENLUEZSA-N 453.473 4.781 50 10 JJGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813048 XGHWZEBQWGOCLI-NHFJDJAPSA-N 472.501 4.560 50 10 JJGE O=C=NC[C@H]1CCC[C@@H](CNC(=O)NCCc2c[nH]c3cc(OCc4ccccc4)ccc23)C1 170288881 UFCXQRKHXXAHFG-FCHUYYIVSA-N 460.578 4.731 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C(=C\c1ccccc1)c1ccccc1 207188941 UUOJOPULWQMWIJ-HSLKWFPPSA-N 494.547 4.607 50 10 JJGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=NNC(N)=O)c2-c2ccccc2)cc1 254571205 UDRVSWORABDFHB-UHFFFAOYSA-N 452.514 4.990 50 10 JJGE O=C(CNc1cccc2ccccc12)NN=Cc1cc(Br)cc(Br)c1O 254600203 GEWOPZAOQFHGDI-UHFFFAOYSA-N 477.156 4.633 50 10 JJGE COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2c(Cl)cccc2Cl)c1 254869846 LDCZZBUZYYCQMG-XSCLHJTDSA-N 498.366 4.932 50 10 JJGE C[C@H](Br)C[C@@H]1CCCCCN1C(=O)c1sccc1I 311748344 SVGXUOXTCVWSNO-QWRGUYRKSA-N 456.187 4.911 50 10 JJGE COCc1cc(Br)c([C@@H](Br)c2nn(C)cc2Br)s1 688090524 FPMVKZLRZCOTGI-VIFPVBQESA-N 459.001 4.637 50 10 JJGE Cc1ccc2c(COC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)cc(=O)oc2c1C 761396641 HMQQSEQISSEBLR-FYJGNVAPSA-N 478.508 4.837 50 10 JJGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccccc4Cl)c(C)c32)cc1 1772746367 VAVFELQNGKKDKA-UHFFFAOYSA-N 451.910 4.973 50 10 JJGE CCc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)cc1 1772746806 HKOFMHYEHDPGRG-UHFFFAOYSA-N 496.361 4.998 50 10 JJGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(F)cc1 1865692830 JLXUXXAICKVVFQ-GOSISDBHSA-N 488.441 4.715 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865710080 NUEONFDGMJSCFU-HSZRJFAPSA-N 497.486 4.872 50 10 JJGE Cc1cc(C(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)nn1-c1ccccc1 1866837258 ADIJUTVGSYCUQR-XMMPIXPASA-N 467.554 4.864 50 10 JJGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc5c(c4)OCCO5)cs3)cc2C1=O 1872750569 HFRWBGZXFMBIPB-QETBKQIWSA-N 487.537 4.926 50 10 JJGE O=S1(=O)CCCC[C@@H]1[C@H](Br)c1ccc(Br)cc1Br 2083339431 QDDBVZXUIANANE-VXGBXAGGSA-N 461.013 4.615 50 10 JJGE C[C@@H]1CCCN(C(=O)c2cccc(Br)c2Br)[C@H]1CBr 2092333194 ODLIDTODFGOXSO-SKDRFNHKSA-N 454.000 4.847 50 10 JJGE CCN1CCC[C@@H]([C@@H](Br)c2csc(Br)c2Br)S1(=O)=O 2093944455 KJFLFNRIBMVERZ-IUCAKERBSA-N 496.084 4.523 50 10 JJGE C[C@@H]1C[C@@H](Br)CCN(C(=O)c2ccc(Br)cc2Br)C1 2103287651 QCOHGAIHSIZTIR-KOLCDFICSA-N 454.000 4.847 50 10 JJGE CC(C)(C)C[C@H](CCl)NC(=O)c1ccc(Br)cc1I 2142287671 NUMWIFBBXHYZBG-SNVBAGLBSA-N 458.565 4.827 50 10 JJGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3cc(Br)n(C)n3)c2O1 2150478609 MTMYLAJMTQSMAE-UHLUBPPHSA-N 464.983 4.753 50 10 JJGE Cc1cc(Br)c(CBr)c(N(C)Cc2cnn(C)c2Br)c1 2173447681 PGEPSUOURGTPDO-UHFFFAOYSA-N 466.015 4.785 50 10 JJGE O=C(NCC[C@@H]1CCCC[C@@H]1Cl)c1ccc(I)c(Br)c1 2179629163 JUUAASWIJFQIAW-GWCFXTLKSA-N 470.576 4.971 50 10 JJGE Cc1cc(S(=O)(=O)N(C)C[C@H]2CCCCN2Cc2ccccc2)sc1CBr 2179824908 AOPLJYRAYHCQRF-GOSISDBHSA-N 471.486 4.627 50 10 JJGE CN([C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21)S(=O)(=O)c1csc(CBr)c1 2190546125 DXUXZLLBIPPWIF-CPLUKWAASA-N 470.454 4.647 50 10 JJGE C[C@H](Br)CN(CC(C)(C)C)S(=O)(=O)c1cc(Cl)c(Br)s1 2288053144 CPBOYZNPDYJMJH-QMMMGPOBSA-N 467.676 4.984 50 10 JJGE BrC[C@H]1C[C@@H]2CCC[C@@H]2N1c1ncc(I)cc1Br 2310757300 CCCFGRSNRIIWSL-XRNSZHNASA-N 485.989 4.591 50 10 JJGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(C)cc1 2313568339 UYTPEPNAELPMEN-UHFFFAOYSA-N 467.569 4.838 50 10 JJGE N#CC(=Cc1ccc(OCc2ccc(Br)cc2)cc1)C(=O)NCc1ccc2c(c1)OCO2 2313681092 GQBMIPDWAFUEFP-UHFFFAOYSA-N 491.341 4.980 50 10 JJGE C[C@@H](Br)CCCN(C)C(=O)c1ccc(Br)cc1I 2314468346 UKWAKVCNJOHVFT-SECBINFHSA-N 488.989 4.689 50 10 JJGE N#CC(=Cc1ccccc1OCC(=O)Nc1nccs1)c1nc(O)c2cc(Cl)ccc2n1 2314489443 PUDLULCYPCNHRE-UHFFFAOYSA-N 463.906 4.527 50 10 JJGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593376 MCPNOIMKLNEEQC-DEOSSOPVSA-N 487.556 4.577 50 10 JJGE Cc1cc(Br)c(F)c(C(=O)N[C@@H](CCBr)COCc2ccccc2)c1 2320356931 UFJKSKHKZLFGLV-HNNXBMFYSA-N 473.180 4.997 50 10 JJGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccccc1OCc1ccc(C)cc1 2328826186 SKMASMOVNCOUBZ-NRFANRHFSA-N 471.623 4.671 50 10 JJGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)CC1=O 2331323690 VFKOGTCPZLHWTR-MRXNPFEDSA-N 489.553 4.760 50 10 JJGE N#CC(=C(O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2ccc(F)cc2)cs1 2331344539 UOKQWAUELJVJLA-UHFFFAOYSA-N 484.306 4.801 50 10 JJGE CN(CC[C@@H](Br)c1cccs1)S(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 2340662443 QWNKPFSXPRQRTA-KZNAEPCWSA-N 458.443 4.584 50 10 JJGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)CCC(=O)Nc1cc(C)ccc1C 10683266 LYEBFVOYLXGJGR-AVRDEDQJSA-N 453.583 4.541 50 10 JJGE CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)cc1 14040613 ASXLRANPVJZQMM-UHFFFAOYSA-N 462.546 4.644 50 10 JJGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(Oc3ccc(C)cc3C)nc3ccccn3c2=O)cc1 33933065 VDLQAWYSMOZYTK-QNGOZBTKSA-N 471.538 4.750 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1 38685846 RCBXLKNHGPJWNO-LMKMVOKYSA-N 474.488 4.815 50 10 JJGE Nc1c(NNC(=O)c2cccc(Cl)c2)ncnc1Oc1ccc(Br)c2cccnc12 40785234 WXFXEMVVJMBAII-UHFFFAOYSA-N 485.729 4.572 50 10 JJGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1OC)CCC2 40813139 AZGJSUVMQKUONR-MTDXEUNCSA-N 461.518 4.636 50 10 JJGE O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 48572477 HCXGKPKRRVLIEP-MZJWZYIUSA-N 478.339 4.935 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3C)c2C)cc1 58893375 LSYBTWCBMJBZLS-OSYJHYBZSA-N 478.549 4.673 50 10 JJGE O=C(NC[C@H]1CCCC[C@@H]1Cl)c1cc(Br)ccc1I 236026562 PHLXJVIYBCGPHR-SKDRFNHKSA-N 456.549 4.581 50 10 JJGE CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]3C[C@@H](Br)[C@@]2(O)C(C)=O)C1 254506037 GEVAMMLEIGNEOT-JYXMMHKRSA-N 455.433 4.654 50 10 JJGE CCn1c(SCC(=O)NN=Cc2ccc(OC)c(OC)c2)nnc1-c1ccc(C(C)(C)C)cc1 254799471 XWPCDIVBEVDVKW-UHFFFAOYSA-N 481.622 4.522 50 10 JJGE Nc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c(Cl)c1 382690034 LUCUNIKNIYPNBZ-PBHICJAKSA-N 470.738 4.709 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](c2ccc(Br)s2)[C@@H](CI)C1 382725223 PSXCIOJEWXZKCE-VHSXEESVSA-N 472.186 4.896 50 10 JJGE Brc1cc2c(cc1[C@H](Br)c1ncsc1Br)OCCO2 698656942 ZDDIWYJUWJFKCL-JTQLQIEISA-N 469.980 4.924 50 10 JJGE COc1ccc(C(=O)NNC(=O)N[C@@H](c2ccc(C)cc2)c2ccc(F)cc2Cl)c(OC)c1 731046256 DLUCJRMQPZCWFP-QFIPXVFZSA-N 471.916 4.538 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccccc2OCc2cccc([N+](=O)[O-])c2)cc1 1084137971 KKXKVIOGVUNCKD-XMMPIXPASA-N 477.517 4.536 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc([N+](=O)[O-])cc3C)c2C)cc1 1084157535 LSYBTWCBMJBZLS-VWLOTQADSA-N 478.549 4.673 50 10 JJGE CC(=NNC(=O)COc1ccc2cc(Br)ccc2c1Br)c1cccc(N)c1 1084167031 RJBCCVUXPPUIEE-UHFFFAOYSA-N 491.183 4.866 50 10 JJGE COc1ccccc1NC(=O)/C(C#N)=C1/C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 1084408219 CEFXLVCLEUVRGE-FCDQGJHFSA-N 488.341 4.920 50 10 JJGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 1084586031 QXZSDQBGFNCZTC-RUZDIDTESA-N 456.502 4.562 50 10 JJGE CCN(CC)CC(=O)NN=Cc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 1772742851 WGQDVUDIIBZOSI-UHFFFAOYSA-N 474.790 4.505 50 10 JJGE CCOc1ccc(C=NNC(=O)CCCOc2ccc(CC)cc2Br)cc1OC 1772755767 RFFLCCWOOZCRAE-UHFFFAOYSA-N 463.372 4.728 50 10 JJGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccccn1 1865703202 PSNCOWQTKLZZMM-DEOSSOPVSA-N 479.540 4.950 50 10 JJGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1cc(Br)ccc1CCl 1912992693 KADNUYHMIMTGLY-UHFFFAOYSA-N 458.743 4.602 50 10 JJGE CC1(C)CN(C(=O)c2ccc(Br)cc2Br)C[C@@H]1CBr 1914531052 IFVXQDQEVOODBK-VIFPVBQESA-N 454.000 4.705 50 10 JJGE O=C(c1csc(Br)c1Br)N(CCBr)CC(F)(F)F 2032953476 JZOYGOPFEYMKOZ-UHFFFAOYSA-N 473.934 4.673 50 10 JJGE CC[C@@H](Br)CN(CC)C(=O)c1cc(I)ccc1Br 2044551234 RWPMZHJMNICLIR-SECBINFHSA-N 488.989 4.689 50 10 JJGE FC(F)(F)Oc1cc(I)c(CCl)c(I)c1 2060231629 JOSKZLNBVSNHMZ-UHFFFAOYSA-N 462.374 4.533 50 10 JJGE O=C(NC1CC([C@@H](F)CBr)C1)c1scc(Br)c1Br 2078366027 CMDGHUOHLPRPNZ-QIECLKSESA-N 463.992 4.515 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)[C@H](C)C[C@@H]1Br 2093112977 VYCKOFUXRPJVSS-LNLATYFQSA-N 456.549 4.579 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2CCC[C@H](C1)C2Br 2111478448 SWZBTUIDCZLYFL-OQJHAAMPSA-N 472.040 4.909 50 10 JJGE O=C(c1csc(Br)c1Br)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Br)C2 2134105078 NLQDXRQVOFMBCQ-BNJNZJEJSA-N 476.003 4.752 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CC[C@@H](Cl)C(F)(F)CC1 2150040277 UGARIQGTQCJRAC-LLVKDONJSA-N 478.502 4.532 50 10 JJGE CC1(C)CC(CBr)(CNC(=O)c2ccc(I)c(Cl)c2)C1 2158304933 RVGUWRUNSJFNFW-UHFFFAOYSA-N 470.576 4.876 50 10 JJGE Brc1cccc(Br)c1CN1C[C@@H](Br)C2(CCOCC2)C1 2174368297 JZBKWJLYNHAGII-CQSZACIVSA-N 468.027 4.588 50 10 JJGE Clc1cc(CN2CCC(OCCCBr)CC2)ccc1I 2208028881 HFKFXKGDNCOUTQ-UHFFFAOYSA-N 472.592 4.711 50 10 JJGE Cn1nc(Br)c([C@H](Cl)c2cc(Br)c(Br)cc2F)n1 2219797910 HAKFJUVOOZLPTG-MRVPVSSYSA-N 462.342 4.570 50 10 JJGE Brc1sc2ccccc2c1CNCCOCCCI 2224723214 ZKWVVCFGMGCILD-UHFFFAOYSA-N 454.171 4.595 50 10 JJGE CN(C(=O)c1cc(Br)ccc1I)[C@@H](CCl)CC1CC1 2226157459 RUMFSHKRWBYOEU-LLVKDONJSA-N 456.549 4.533 50 10 JJGE CC(C)CN(C[C@H](C)Br)c1ncc(I)cc1Br 2250512424 XFPYCPCHCVQQKI-VIFPVBQESA-N 475.994 4.695 50 10 JJGE O=C(N[C@@]1(CBr)C[C@H]2CC[C@H]1C2)c1ccc(Cl)c(I)c1 2283914420 VRNZRDIFCQBUDJ-CCUNJIBTSA-N 468.560 4.628 50 10 JJGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C)cc3)nc3c(C)cccn3c2=O)cc1 2296718513 OKFCPBRPVMNOCQ-UHFFFAOYSA-N 450.498 4.958 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)ccc1C(C)C 2314737472 NVSGAAGYKUFPCS-UHFFFAOYSA-N 488.540 4.928 50 10 JJGE Brc1cc(CN2CC[C@@H](Br)C23CCC3)ccc1I 2325217807 IFQQYIPXKXNDCX-CYBMUJFWSA-N 485.001 4.946 50 10 JJGE C[C@@H]1CC[C@](CBr)(NC(=O)c2ccc(Cl)cc2I)C1 2340055034 QUEHMZJCVAENEZ-OTYXRUKQSA-N 456.549 4.628 50 10 JJGE CC[C@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 9873964 NPKCWHAYIZWUQY-UONOGXRCSA-N 483.790 4.610 50 10 JJGE O=C(NC(=S)NNC(=O)c1ccccc1OCc1ccccc1)c1ccc(-c2ccccc2)cc1 14030832 NQOJTFKWLFFSNI-UHFFFAOYSA-N 481.577 4.882 50 10 JJGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(OC)c(Br)c1 14768677 CNBXXIWDHGUNOG-OAQYLSRUSA-N 483.362 4.743 50 10 JJGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2F)cc1Cl 38688008 AYHWSSQFHLSVCA-QFIPXVFZSA-N 450.853 4.925 50 10 JJGE O=C(N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1cccc([N+](=O)[O-])c1 59153066 YAHOYZABTVBEBZ-XLVZBRSZSA-N 476.492 4.865 50 10 JJGE CC(C)(C)COC(=O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 59165169 ROFQNKZJERWZCZ-CLCOLTQESA-N 458.356 4.515 50 10 JJGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)c1 66201463 DPPXIUIICDWMJZ-UHFFFAOYSA-N 453.583 4.544 50 10 JJGE CC(=NNC(=O)c1ccc(Cl)cc1O)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 254490686 BSHICDDTKGZYIA-UHFFFAOYSA-N 499.770 4.971 50 10 JJGE COc1ccc(C=NNC(=O)c2cc(-c3ccc(OCc4ccc(C)cc4)cc3)n[nH]2)cc1OC 254516180 AXZMXPULDRVKFI-UHFFFAOYSA-N 470.529 4.745 50 10 JJGE C[C@@H]1C[C@H](CBr)CN(C(=O)c2cc(Br)sc2Br)C1 398699710 SOROHUJDIKGJQQ-HTQZYQBOSA-N 460.029 4.766 50 10 JJGE Cc1cccc(C(=O)N[C@H]2C[C@H](Br)CC(C)(C)C2)c1I 693893064 MWRUBNAUGGFQLG-RYUDHWBXSA-N 450.158 4.672 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CCCC[C@@H](CBr)C1 696725125 YRUOAIZNSLIYDR-QMMMGPOBSA-N 460.029 4.910 50 10 JJGE O=C(N[C@@H]1CCC[C@H](CBr)C1)c1scc(Br)c1Br 705404803 FUTPCRVHDVWDOS-JGVFFNPUSA-N 460.029 4.957 50 10 JJGE C[C@@H](SCc1ccccc1)C(=O)NN=C1C(=O)N(C/C=C\c2ccccc2)c2ccccc21 1084218658 SUCVEKIDCWIGKB-GGLMIFPDSA-N 455.583 4.889 50 10 JJGE CCOc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1 1084284977 OMEYHIJBPNCJOA-UHFFFAOYSA-N 473.360 4.888 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C1 1614618241 XOQOFNMUESPDIO-RYUDHWBXSA-N 466.703 4.634 50 10 JJGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccncc2)CCC3)cc1 1772746350 UVNPRAILYLMIBK-UHFFFAOYSA-N 460.534 4.885 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)ccc1OC(C)C 1865697099 XECWVOKAEZKFNV-VWLOTQADSA-N 458.562 4.871 50 10 JJGE COc1ccc(-c2ccc(C(=O)NNC(=O)[C@@H](Cc3ccccc3)c3ccccc3)c(C)n2)cc1OC 1865759170 LTLMGGXFPDFEIG-VWLOTQADSA-N 495.579 4.862 50 10 JJGE CC(C)c1cc2cc(CC(=O)NC(C)(C)C(=O)Nc3ccc(SC#N)cc3)ccc2nc1O 1867065274 MCIAUHNBOFXWNT-UHFFFAOYSA-N 462.575 4.713 50 10 JJGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCCc3cccc(F)c3)CC2)n1 1868480572 PHIHNWUXUMQAGP-UHFFFAOYSA-N 462.598 4.996 50 10 JJGE CCn1cc(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)nc1Br 1915760557 QDVYBTLWSRPAKA-UHFFFAOYSA-N 455.194 4.626 50 10 JJGE CCCN1CC[C@H]([C@@H](Br)c2cc(Br)sc2Br)S1(=O)=O 2089535755 OAONNAQDGXDIAR-SCZZXKLOSA-N 496.084 4.523 50 10 JJGE CO[C@]1(CBr)CCCN(Cc2cccc(Br)c2Br)C1 2092329148 SNBLXSPJAWXTDZ-AWEZNQCLSA-N 456.016 4.588 50 10 JJGE ClCCc1nc2cc(I)ccc2n1[C@]12C[C@@H]1CN(Cc1ccccc1)C2 2099679415 QNMIRXUZWHYUOE-IERDGZPVSA-N 477.777 4.653 50 10 JJGE BrCC(CBr)(COC[C@H]1CCCO1)c1ccccc1Br 2149034388 JULJZPYCEKGJGC-GFCCVEGCSA-N 471.027 4.672 50 10 JJGE CC1(C)CC[C@@H](Br)CN1S(=O)(=O)c1cc(Br)ccc1Br 2156089951 HYAMPKOGNNMYDB-SNVBAGLBSA-N 490.055 4.538 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(I)ccc2Br)CC[C@@H]1CCCl 2172472124 GGNIYTVDUMJXOF-MNOVXSKESA-N 470.576 4.781 50 10 JJGE Brc1ccc(Br)c(CN2C[C@H](Br)C3(CCOCC3)C2)c1 2175141235 DLABRWPPUWYPNX-AWEZNQCLSA-N 468.027 4.588 50 10 JJGE C[C@@H](c1cscc1Br)N(C)S(=O)(=O)c1ccsc1CBr 2186581733 SJJAVHMCTGEEFH-QMMMGPOBSA-N 459.250 4.849 50 10 JJGE C[C@H]1[C@H](Br)C[C@@H](C)CN1C(=O)c1scc(Br)c1Br 2220347236 FQUWHCCYZKAHRJ-GJMOJQLCSA-N 460.029 4.907 50 10 JJGE CCN(C(=O)c1ccc(Br)cc1Br)[C@@H]1CCC[C@@H]1Br 2224421538 NNGZHMXEILXBSO-WCQYABFASA-N 454.000 4.990 50 10 JJGE CN(C(=O)c1cc(Br)cc(Br)c1)[C@H](CBr)CC1CC1 2226159286 FJIQRMRAOVXMLM-ZDUSSCGKSA-N 454.000 4.847 50 10 JJGE C[C@@H](Cl)c1nc(I)c(Cc2ccccc2)c(I)n1 2258715063 VKTCWZZZCGIYIP-MRVPVSSYSA-N 484.506 4.576 50 10 JJGE FC(F)C1(CBr)CCN(c2ncc(Br)cc2Br)CC1 2274106837 GRBNSCBMHUDHQA-UHFFFAOYSA-N 462.958 4.853 50 10 JJGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NC2CCCCC2)c1 2296543708 ZYXBZHBZFOLKAB-UHFFFAOYSA-N 456.546 4.768 50 10 JJGE C[C@@](CCl)(NCc1ccc(I)c(Br)c1)C(F)(F)F 2325214676 RAXSZAAACCZHFZ-JTQLQIEISA-N 456.471 4.703 50 10 JJGE Cc1ccc(N(C)Cc2c(Br)c(Br)nn2C)c(CBr)c1 2364334111 SVFVYIXXHQRLIB-UHFFFAOYSA-N 466.015 4.785 50 10 JJGE C#CCOc1ccccc1/C=N/NC(=O)c1ccc(OCc2cccc(Br)c2)cc1 3088025 XBFYQYHQTPWVKC-WGOQTCKBSA-N 463.331 4.804 50 10 JJGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)COc1ccc(Cl)cc1Cl 10682868 RSHFMWMVNVNVMC-KDOFPFPSSA-N 453.366 4.891 50 10 JJGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1ccc(O)cc1 12491238 DTCULJVNKDUISO-LSHDLFTRSA-N 478.140 4.600 50 10 JJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)cc2)c1 14665783 OYSAUZCDZIWSCC-LJQANCHMSA-N 473.573 4.773 50 10 JJGE CCOc1cc(/C=N/NC(=O)[C@H](C)Sc2nc3ccccc3s2)cc(Br)c1O 20175524 SPGIEKVGFUBBJR-JYQBEENSSA-N 480.409 4.794 50 10 JJGE Cc1cc(OCC(=O)N/N=C/c2ccc(Br)o2)c(Br)c(C)c1Cl 40950791 XNXDQXNHIXYIKA-KPSZGOFPSA-N 464.541 4.604 50 10 JJGE O=C(CSc1nc2ccccc2[nH]1)N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21 59181388 ODWNPKAPTNTSER-FSRJSHLRSA-N 491.576 4.876 50 10 JJGE CCCc1nn2c(=O)cc(COc3ccc(/C=C(/C#N)C(=O)Nc4ccccc4C)cc3)nc2s1 96484364 UGVBARGQIRILPV-UYRXBGFRSA-N 485.569 4.537 50 10 JJGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1C 110351589 YVEMMRDOEAFFNS-VDZLVOTPSA-N 491.567 4.815 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C(C)(C)C)cc1 206406438 ZGCRVUBVIQIYEY-ZHZULCJRSA-N 488.540 4.793 50 10 JJGE CCOc1cc(/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 214331655 ZTJOGUJRDGVHIS-OKIKLVOASA-N 490.531 4.575 50 10 JJGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccccc4Cl)c(C)c32)c1 1772749849 QDJHVFXPMKBCDL-UHFFFAOYSA-N 451.910 4.973 50 10 JJGE O=C(Cc1ccc(Br)s1)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 1860822971 RXAGCSYPCLRTHH-QQTULTPQSA-N 488.794 4.774 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)cc1OC 1865696095 XJAZQCNLQJKMNB-QFIPXVFZSA-N 464.953 4.773 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865701299 ROZXCUWVZNBXLQ-QHCPKHFHSA-N 480.524 4.783 50 10 JJGE CCC[C@@H](NC(=O)Cc1nc(-c2ccccc2OC)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866669699 HDKQJUQWRDOBMO-HXUWFJFHSA-N 478.574 4.698 50 10 JJGE COc1cccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c1OCc1ccccc1F 1873794945 KLZYZRQTUKYYOU-MMOHFDRGSA-N 487.572 4.803 50 10 JJGE C[C@@H]1CC[C@@](CBr)(NC(=O)c2cc(Cl)ccc2I)C1 1880938846 KUZBZWJFZVAZEJ-YMTOWFKASA-N 456.549 4.628 50 10 JJGE Cc1sc(Br)cc1C(=O)N[C@H](CCBr)COCc1ccccc1 1902789939 CSHODRJIARJJQI-CQSZACIVSA-N 461.219 4.919 50 10 JJGE BrCC[C@@H]1CCCCN1c1ncc(I)cc1Br 2015756564 HZLOPSKVTSPPGS-JTQLQIEISA-N 473.978 4.593 50 10 JJGE Fc1cc2c(cc1I)nc(CCl)n2Cc1nccn1Cc1ccccc1 2090022329 VKRAXBOMAGAHJY-UHFFFAOYSA-N 480.712 4.812 50 10 JJGE O=C(N[C@H]1CCC[C@H]1CCBr)c1cccc(Br)c1Br 2092334076 FUCRZEDBIWSLRY-CABZTGNLSA-N 454.000 4.895 50 10 JJGE BrCc1c(Br)cccc1N1CC[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2129055617 RPWVSPQAHOWASS-SFTDATJTSA-N 480.244 4.824 50 10 JJGE C[C@H]1Cc2cc([C@H](Br)c3c(Br)cnn3C)cc(Br)c2O1 2146617602 ZWHUGDPLAOMOGW-MADCSZMMSA-N 464.983 4.753 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@H](Br)C(F)(F)CC1 2150020099 XUTBNTMNIHAFKI-NSHDSACASA-N 475.953 4.846 50 10 JJGE ClCCc1nc2ncccc2n1-c1ccc(I)cc1Br 2175977687 TYXPGAWYGRNFQE-UHFFFAOYSA-N 462.516 4.569 50 10 JJGE CO[C@@H]1CCC[C@H]([C@H](Br)c2cc(I)cc3c2OCC3)C1 2182759706 BLNJCZIGOXUEFI-ZBINZKHDSA-N 451.142 4.867 50 10 JJGE CC(C)[S@](=O)(=NCc1ccc(CBr)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2183215511 JEWKRCKKEZNAJM-XRHLQHRESA-N 459.450 4.967 50 10 JJGE C=CCC[C@@H](CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2196141363 KZIYSFPZUJMPIZ-VIFPVBQESA-N 466.022 4.764 50 10 JJGE O=C(N[C@@H](CBr)[C@H]1CC=CCC1)c1ccc(I)c(Cl)c1 2196151790 QTNZNQRWVKBJSM-HZMBPMFUSA-N 468.560 4.794 50 10 JJGE Cc1cc(C(=O)N(CCBr)Cc2cccs2)ccc1I 2207103604 OITMVKZCBMDOTF-UHFFFAOYSA-N 464.166 4.698 50 10 JJGE CS(=O)(=O)C1CC([C@H](Br)c2cc(Br)c(Br)cc2F)C1 2269879649 LUSMOPIZHXWWDZ-FOEZSWGGSA-N 479.003 4.610 50 10 JJGE O=C(NN=Cc1c(Cl)cccc1Cl)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293338407 KXAKDHSVUGPQGI-UHFFFAOYSA-N 482.323 4.643 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1CC[C@H](CBr)CC1 2295311100 GGHWADMPLKSOPS-YPFXGUDJSA-N 468.027 4.824 50 10 JJGE CCOC(=O)c1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1 2296507017 PJWRCCQRWCNKGU-XMMPIXPASA-N 497.576 4.928 50 10 JJGE N=[S@](=O)(C[C@H]1C[C@@H](Br)C1)c1cc(I)ccc1Br 2300852938 ZXAFOULYMHDFIB-VBTAIFHRSA-N 493.002 4.633 50 10 JJGE C=CC[C@H](Br)[C@@H]1CCN1C(=O)c1csc(Br)c1Br 2314236002 WMJSBVPXHCYVBL-IUCAKERBSA-N 458.013 4.827 50 10 JJGE CCCCCCN1C(=O)C(=CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C(C)=C(C#N)C1=O 2314585645 KIPDPUCWVVAIOV-UHFFFAOYSA-N 450.417 4.699 50 10 JJGE Cc1ccc(OCCCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)c(C)c1 2314759933 ANTRNPBMAKNYBP-UHFFFAOYSA-N 458.514 4.884 50 10 JJGE CCOc1ccc(C=NNC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)cc1OCC 2321248555 ZPLBAMMYMICEIF-UHFFFAOYSA-N 463.534 4.636 50 10 JJGE Brc1cc2c(cc1[C@H](Br)c1cnsc1Br)OCCO2 2337304502 UMIPHHOMMKTMHM-NSHDSACASA-N 469.980 4.924 50 10 JJGE Cc1cc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)ccc1Br 12484947 MVGSHXNJOPYAHY-AFUMVMLFSA-N 453.336 4.866 50 10 JJGE O=C(N[C@@H](Cc1ccccc1)C(=O)NNc1c(Cl)cc(Cl)cc1Cl)c1ccco1 27568759 VVSDKOBVKKJGMS-INIZCTEOSA-N 452.725 4.724 50 10 JJGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825856 BAENLYJRGMVXAD-NJZRLIGZSA-N 496.523 4.646 50 10 JJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cccc4ccccc34)cc2OC)cc1 254852713 LPXOWRGEVFAYQL-UHFFFAOYSA-N 454.482 4.840 50 10 JJGE CCn1c(SCC(=O)NN=C/C(Br)=C/c2ccccc2)nnc1-c1ccccc1 254882931 CJDYHQLGHVQOPO-LEGYYREDSA-N 470.396 4.595 50 10 JJGE FC(F)(F)C(F)(F)[C@H](Br)c1cc(I)cc2c1OCC2 311368448 HOQKKAFMFLGAIR-SECBINFHSA-N 456.974 4.860 50 10 JJGE COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(OC3CCCC3)c(OC)c2)c1C 916073741 FUIBISIRIQVNID-MIDMBNTASA-N 465.594 4.866 50 10 JJGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NNC(=O)CNc1cccc2ccccc12 1084394232 CGUJINRRNILZGW-UHFFFAOYSA-N 466.589 4.886 50 10 JJGE CC(=O)Nc1ccc(/C=C\C(=O)NNC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1 1087068692 MXYSGWDFIJARRN-WJDWOHSUSA-N 464.525 4.643 50 10 JJGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H](Sc2ccc(F)cc2F)c2ccccc2)c1 1303280968 UZXLFYPDXBYLPE-NRFANRHFSA-N 453.539 4.797 50 10 JJGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1C(=NNC(=O)c1ccccn1)CCC2 1772747680 SFKLPWFUOBUCTF-OAHLLOKOSA-N 460.509 4.574 50 10 JJGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1ccc(Cl)cc1 1865692639 HEMBVDJSJPRMPF-JOCHJYFZSA-N 464.953 4.909 50 10 JJGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705280 QKHCQVMISRIYTG-DEOSSOPVSA-N 477.524 4.657 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705835 GUHSPFWRQAHKPN-HXUWFJFHSA-N 470.876 4.714 50 10 JJGE COc1ccccc1-c1csc(/C(C#N)=C(\O)CN2C(=O)COc3ccc(Cl)cc32)n1 1872746897 FCSMGSPEYHIQIY-SDXDJHTJSA-N 453.907 4.690 50 10 JJGE COc1ccc(C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1OC 1872759393 NBDVATXRQLRZGG-VLGSPTGOSA-N 468.531 4.888 50 10 JJGE CCOc1cc(/C=N/NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccccc1 1873499525 ZWBDAPGRGSDLHM-LWKXQZBCSA-N 481.593 4.762 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 1985346493 CXYRFIUBICTWFJ-INIZCTEOSA-N 463.710 4.518 50 10 JJGE Fc1ncc(Cl)cc1-n1nc(CBr)c(I)c1C(F)(F)F 2078933130 UASIUZWBDKCTLA-UHFFFAOYSA-N 484.416 4.578 50 10 JJGE O=C(N[C@@H]1CCC[C@@H](CBr)C1)c1cccc(Br)c1Br 2092340064 LXIJIRCRGRLHQQ-NXEZZACHSA-N 454.000 4.895 50 10 JJGE O=C(N[C@H]1CN(C(=O)OCc2ccccc2)CC12CCC2)c1ccc(CBr)cc1 2106201095 UGNSHCJARSJVAV-FQEVSTJZSA-N 457.368 4.503 50 10 JJGE O=C(NC[C@@]12CCC[C@@]1(CBr)C2)c1cc(Br)sc1Br 2142941029 SGLQKJKZZHZOSR-STQMWFEESA-N 472.040 4.958 50 10 JJGE CC1(C)COC[C@H](COc2c(Br)cc(Br)cc2CBr)O1 2145713652 DLQVWQOYNAVMLN-LLVKDONJSA-N 472.999 4.679 50 10 JJGE FC1(F)[C@@H]2[C@@H]([C@H](Br)c3cc(I)cc4c3OCC4)CC[C@H]21 2158333464 ONLFPLBEHFCXRU-SQNXGDPESA-N 455.080 4.953 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(F)(F)F)CCN1C[C@H](CBr)CC1CC1 2169172275 NJLOQGUOOZKFQO-XHSDSOJGSA-N 457.375 4.965 50 10 JJGE O=C(NC[C@]1(CBr)C[C@H]1C(F)(F)F)c1cc(Br)c(Br)s1 2192577238 CPUAZEYPDJZKJW-GMSGAONNSA-N 499.972 4.966 50 10 JJGE C[C@@H]1CCCN(C(=O)c2ccc(Cl)c(I)c2)[C@@H]1CBr 2268345873 ONLRCCHYBNXATO-NOZJJQNGSA-N 456.549 4.580 50 10 JJGE CC(C)(CI)CN1CCC[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 2306809516 KDFIALLKFUFQKM-IBGZPJMESA-N 450.405 4.561 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OC 2313670719 RKEDZVKXXZFTQM-UHFFFAOYSA-N 480.702 4.964 50 10 JJGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)Nc1ccc(C)c(C)c1 2314533140 OYMJHZGJYVFARY-UHFFFAOYSA-N 480.524 4.966 50 10 JJGE COc1ccc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1OCc1ccccc1Cl 2328799241 RFLSRLPKQZZLDV-QFIPXVFZSA-N 490.000 4.927 50 10 JJGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)cc2C1=O 2331333971 SPNOTQVYGAAYFF-CYBMUJFWSA-N 473.510 4.883 50 10 JJGE CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2sc(C(C)=CC#N)c(C)c2C(=O)OC)CC1=O 2331560257 MJEULNYIGJBPIW-IBGZPJMESA-N 479.602 4.886 50 10 JJGE BrC[C@@H](Cc1cccc(Br)c1)Cc1ncc(I)cn1 2353309505 MIBWLVLSSMKXOD-NSHDSACASA-N 495.984 4.640 50 10 JJGE CN([C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12)S(=O)(=O)c1ccc(CBr)s1 2357090737 BIQMZKSWVFXDIN-CAMMJAKZSA-N 470.454 4.647 50 10 JJGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 14652695 MZVHPDLXEAFPOA-LLVKDONJSA-N 490.181 4.773 50 10 JJGE COc1ccc2cc(Br)ccc2c1CC(=O)NNC(=O)c1ccc(Cl)cc1Cl 35550887 NMVRPXAWZCODQL-UHFFFAOYSA-N 482.161 4.921 50 10 JJGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccc(O)cc3)CCC4)c2n1 40812106 AVVDCKWMFWAFFC-ZTKZIYFRSA-N 469.497 4.840 50 10 JJGE CCOc1c(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)cccc1OC 40912059 FIQXFDQMMLALTO-WYMPLXKRSA-N 463.372 4.817 50 10 JJGE COc1cc(N/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(C(C)=O)cc1OC 103099987 XDMJZITYXKUQKY-PTNGSMBKSA-N 450.476 4.915 50 10 JJGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCc1ccccc1Br 231319628 DFHGJECDPMNAFY-MRXNPFEDSA-N 484.172 4.684 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cccc(F)c1 252631878 VNPGMMHNHOFCFR-UHFFFAOYSA-N 478.520 4.880 50 10 JJGE Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)o1 263632250 RUIIRBMOYXEFIY-UHFFFAOYSA-N 480.480 4.782 50 10 JJGE Cc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1F 382732932 VMMMZSBETZACJP-MSOLQXFVSA-N 453.295 4.921 50 10 JJGE C[C@H](Br)[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 719786355 JGAXQTXCPXIJDT-JGVFFNPUSA-N 466.022 4.550 50 10 JJGE C[C@@H](Br)C[C@@H]1CCCCN1C(=O)c1cccc(F)c1I 721665447 NZPSDPLAFBNAHO-MNOVXSKESA-N 454.121 4.599 50 10 JJGE CC[C@@H]1CCCCN1C(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 782092107 CAYSJQCIEZJDBF-BFZGFGPOSA-N 493.995 4.747 50 10 JJGE CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1C 1087428348 CCBBBYUCVAUSCS-XSFVSMFZSA-N 459.516 4.575 50 10 JJGE C=CCNC(=S)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 1135700642 QINGFHCZANRYJG-UHFFFAOYSA-N 453.571 4.501 50 10 JJGE C/C(=C/c1c(Cl)cccc1Cl)C(=O)NNC(=O)CCCCCNC(=O)OC(C)(C)C 1629551688 VKBRLGWLUZUQJI-YPKPFQOOSA-N 458.386 4.629 50 10 JJGE COc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OC(=O)c1ccc(Cl)cc1 1772760495 SIWZSXNOBUEBJX-UHFFFAOYSA-N 494.960 4.687 50 10 JJGE COc1ccc(Cl)cc1NC(=O)COc1cccnc1NC(=O)Nc1ccc(SC#N)cc1 1858833715 YKGTXQCELAXQQA-UHFFFAOYSA-N 483.937 4.978 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1865680251 DVWVWRJNGVQFNZ-HNNXBMFYSA-N 483.233 4.827 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(OCC)c1)C(C#N)=C(N)O2 1865681039 CWKMESROHKJORQ-QFIPXVFZSA-N 482.943 4.999 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681473 ODJUKSZPLBCINM-XMMPIXPASA-N 480.524 4.545 50 10 JJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)c1 1865693374 VIQHQWFZNLWTOY-XMMPIXPASA-N 482.515 4.973 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1 1865694118 PWLBFKWKEYRPMW-FQEVSTJZSA-N 451.324 4.560 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1OC 1865706769 FGDNATCMBDSLMI-QGZVFWFLSA-N 476.842 4.780 50 10 JJGE COc1cc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1ccc(C(C)(C)C)cc1 1873794549 ODDNHYNDHSAMNB-CTOFZRSPSA-N 483.609 4.935 50 10 JJGE Clc1ccc(CNCCCCCI)c(I)c1 1901925702 LLAUTCJCVXLLIL-UHFFFAOYSA-N 463.528 4.640 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@H](CBr)C2(CCC2)C1 1914493883 SJFMVVFVAFRLGB-JTQLQIEISA-N 466.011 4.849 50 10 JJGE O=S(=O)([C@H]1C[C@H](OCc2ccccc2)C1)N(Cc1ccccc1)C1(CBr)CCC1 1958928988 YHKVVRJNNVTJQM-HZCBDIJESA-N 478.452 4.884 50 10 JJGE O=S(=O)(c1ccc(CBr)cc1Br)N(Cc1ccccc1)CC1CC1 2009657928 HOHBJXMPGUPYQI-UHFFFAOYSA-N 473.230 4.945 50 10 JJGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1[N+](=O)[O-] 2013179555 REOQDGSHWNLKPG-LBPRGKRZSA-N 456.134 4.783 50 10 JJGE FC(F)(F)Oc1cc(I)c(I)c(CCl)c1 2060226068 RKKQEGJYAAARPE-UHFFFAOYSA-N 462.374 4.533 50 10 JJGE C[C@H]1CN(C(=O)c2c(Br)cccc2Br)C[C@H](C)C1Br 2094095124 JBNVPKYJYSUVQP-IUCAKERBSA-N 454.000 4.703 50 10 JJGE CC1(C)CC(CBr)(NC(=O)c2cc(Br)ccc2Br)C1 2107261023 MQTNDRIFAKWIHR-UHFFFAOYSA-N 454.000 4.895 50 10 JJGE C[C@@H]1CC[C@@H](CBr)N(C(=O)c2cc(Br)ccc2Br)C1 2110615369 FHBODZVEXSBYKT-KOLCDFICSA-N 454.000 4.847 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@]12C[C@@H](CBr)C2 2125793144 FPRRABHDFHDDIQ-KMHCFJFGSA-N 451.984 4.601 50 10 JJGE O=C(N[C@H]1CCC[C@@H](CCl)C1)c1ccc(Br)cc1I 2142284841 IJZMQNNNKQMAGY-KOLCDFICSA-N 456.549 4.581 50 10 JJGE CO[C@@](C)(COCc1ccccc1)Cn1c(CCl)nc2cc(Br)c(C)nc21 2153145091 KYJUGUAJIGAQDX-HXUWFJFHSA-N 452.780 4.863 50 10 JJGE Fc1c([C@H](Br)c2cc(I)sn2)cnn1-c1ccccc1 2176537450 ILRPOGPPHJOZST-LBPRGKRZSA-N 464.101 4.557 50 10 JJGE CCCN=c1[nH]c(NCCSSCCNC(=O)OC(C)(C)C)c(Cl)cc1Cl 2181742303 YGLOOTFGQOOVOR-UHFFFAOYSA-N 455.477 4.950 50 10 JJGE O=C(N[C@@H](CBr)CC1CCOCC1)c1cc(Br)sc1Br 2195486943 WIAKPMWBHCTHNE-SECBINFHSA-N 490.055 4.583 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CC[C@H](CCl)C12CCC2 2207265480 RMUXCEIHOFUOBA-SNVBAGLBSA-N 468.560 4.677 50 10 JJGE C[C@H](CBr)CC1CN(C(=O)c2c(Br)cccc2Br)C1 2230530393 CVLRQMQCNKTDQV-VIFPVBQESA-N 454.000 4.705 50 10 JJGE COc1cc(NC(=O)OCc2ccccc2)c(C(=O)O)cc1OC[C@H]1C[C@@H](Br)C1 2268341734 LELVZJMEPSQTFH-GASCZTMLSA-N 464.312 4.694 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1[C@H]2CCC[C@H]1CC(Br)C2 2283658477 GPHPBUAPORZHLH-RYUDHWBXSA-N 468.560 4.865 50 10 JJGE C[C@@H](Br)C[C@H]1CCCN1C(=O)Cc1cc(Br)cc(Br)c1 2295307980 RGGVODQQQSOEMP-QMTHXVAHSA-N 468.027 4.919 50 10 JJGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)N2CCCCC2)cc1 2296720278 IBZSDBULRSYDKQ-UHFFFAOYSA-N 456.546 4.704 50 10 JJGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)NC)cc1 2314593679 QZPVMIZUYWPROE-IBGZPJMESA-N 460.386 4.728 50 10 JJGE BrCc1ccnc(OCc2ccc(I)c(Br)c2)c1 2325377291 UYOAHVQVDCSEOO-UHFFFAOYSA-N 482.941 4.923 50 10 JJGE Clc1ccc(I)cc1CN1CCSC[C@@H]1CCBr 2327402982 KODNZHGGGBKVNY-LBPRGKRZSA-N 460.606 4.647 50 10 JJGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(C)cc3)cs2)CC1=O 2331312283 CBDNCEZITNZRAT-QGZVFWFLSA-N 459.527 4.751 50 10 JJGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(F)c(C)c4)cs3)cc2C1=O 2331320440 NTGLJUVUKFHCNK-UHFFFAOYSA-N 477.517 4.840 50 10 JJGE CC[C@@H]1[C@@H](CBr)CCN1C(=O)c1ccc(Cl)cc1I 2340058668 PTMUMAPIMQSKPU-NOZJJQNGSA-N 456.549 4.580 50 10 JJGE CC1(C)CC(CBr)(CN2C[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C2)C1 2371132904 IFYMSFHULWUCHR-ZIAGYGMSSA-N 457.375 4.823 50 10 JJGE O=C(c1csc(Br)c1Br)N(CCCBr)C1CCOCC1 2381018692 RPTWCWROQYEVCM-UHFFFAOYSA-N 490.055 4.679 50 10 JJGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)c1ccccc1OCc1ccccc1 14030808 FKYCACALXIDJOC-UHFFFAOYSA-N 489.753 4.522 50 10 JJGE CC(C)CCOc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c1 14644622 GUMSCQHGQBIDOY-UHFFFAOYSA-N 451.567 4.705 50 10 JJGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2F)cc1 38652259 POUNQEUSLBVVCF-PUAOIOHZSA-N 458.489 4.979 50 10 JJGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1 38680710 JGDONXALCGSEDC-HSZRJFAPSA-N 464.880 4.854 50 10 JJGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3OC)ccc21 38681380 NXOGHFFTZNLYBG-HHHXNRCGSA-N 486.524 4.687 50 10 JJGE CCc1ccc(OCC(=O)NNC(=O)[C@H](C)c2ccc(CC(C)C)cc2)c(Br)c1 66199332 KSWUZIUDKRPWSA-MRXNPFEDSA-N 461.400 4.540 50 10 JJGE CCOc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1CBr 136542079 JQBOSYKASUNZSL-UHFFFAOYSA-N 455.193 4.605 50 10 JJGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(C)cc2C(C)(C)C)c(OC)c1 206233934 AUOVZWGGWSHESR-UYRXBGFRSA-N 451.519 4.756 50 10 JJGE CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1C 212392818 FBIDPYRHSQSWRE-UYRXBGFRSA-N 489.498 4.698 50 10 JJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1 214247341 CBLBEACVRMZYED-IWIPYMOSSA-N 466.541 4.939 50 10 JJGE O=C(c1cc(Cl)ccc1I)N(CCCBr)C1CCC1 236065001 ZVPJSGSBMHATEQ-UHFFFAOYSA-N 456.549 4.724 50 10 JJGE C=CCn1c(SCC(=O)NNc2ccc(Cl)c(F)c2)nnc1-c1ccc(Cl)cc1 1545931777 VNBVJJWJWHWOHO-UHFFFAOYSA-N 452.342 4.812 50 10 JJGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1F 1865691676 YITVYQGBXLMBET-IBGZPJMESA-N 470.426 4.872 50 10 JJGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705874 IBMXPYOYIUPDOL-GOSISDBHSA-N 456.289 4.868 50 10 JJGE CCCOc1ccc(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)cc1 1865757062 LHBOMGSRVGUYDQ-AWNIVKPZSA-N 451.473 4.598 50 10 JJGE Clc1cc(I)c([C@@H]2CC[C@@H](CI)O2)s1 1889652957 YRWKKQVMNOZGMT-FSPLSTOPSA-N 454.498 4.661 50 10 JJGE Cn1cc(Br)c([C@H](Cl)c2sc(Cl)cc2I)n1 1901025000 BVUCTDGWZDDQIH-ZETCQYMHSA-N 451.942 4.830 50 10 JJGE O=C(NCC[C@H]1CCC[C@H]1Br)c1cccc(Br)c1Br 1913759134 WTEUGCCBAJKPFK-MWLCHTKSSA-N 454.000 4.895 50 10 JJGE CN(c1ncc(I)cc1Br)C1(CBr)CCCC1 2015758456 IAOZPHNOQDMCEK-UHFFFAOYSA-N 473.978 4.593 50 10 JJGE CC1(C)[C@@H](CBr)CCN1C(=O)c1cc(Br)sc1Br 2034122338 IMOIIYRTPHPZFM-SSDOTTSWSA-N 460.029 4.909 50 10 JJGE Cl[C@@H](c1cc(Br)sn1)c1cc(I)cc2c1OCC2 2056491114 PKQKLCCGIMINCK-LLVKDONJSA-N 456.530 4.773 50 10 JJGE O=C(N[C@@H]1CCCC[C@H]1CCl)c1ccc(Br)cc1I 2142284847 IKKRQKJREKYYCI-TVQRCGJNSA-N 456.549 4.581 50 10 JJGE Cc1cc(CCl)cc(S(=O)(=O)N2CCC[C@H](OCc3ccccc3)C2)c1Br 2186392527 YWIFAOAYSKKFIE-SFHVURJKSA-N 472.832 4.866 50 10 JJGE O=C(c1ccc(Br)cc1I)N1C[C@H](CCl)C2(CCC2)C1 2207265244 OUSOVRRFPKHBIX-JTQLQIEISA-N 468.560 4.535 50 10 JJGE CCN(C(=O)c1cc(I)ccc1Br)[C@@H]1CCC[C@H]1Cl 2224412924 YFJMVQCGRFXMJC-CHWSQXEVSA-N 456.549 4.676 50 10 JJGE CC1(C)OCCO[C@@H]1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225616179 CZVUZLIFSZEIHV-NWDGAFQWSA-N 460.963 4.981 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1[C@H]2CC[C@H](Br)[C@H]1CC2 2229863293 ASFUKPSXIYGJOX-XHVZSJERSA-N 451.984 4.742 50 10 JJGE COc1ccc([C@H](Br)[C@@H]2C[C@H]3COC[C@H](C3)C2)cc1I 2284998496 RJCCALLXASCREO-IQDSPRDJSA-N 451.142 4.799 50 10 JJGE C[C@@H](Br)COCc1cn(-c2c(Br)cc(Cl)cc2Br)nn1 2295835642 PKMRMXANMHVKQZ-SSDOTTSWSA-N 488.405 4.746 50 10 JJGE CCCOc1c(I)cc(C=C(C#N)C(=O)NCc2ccccc2)cc1OCC 2313518494 GKBGVTQPGCTJBY-UHFFFAOYSA-N 490.341 4.702 50 10 JJGE CCCO[C@@H]1[C@@H](Br)C[C@H]1OCc1ccc(Cl)cc1I 2340110895 VQFYMPRSMRIMQJ-IACUBPJLSA-N 459.549 4.792 50 10 JJGE Cn1nc(Br)c(Br)c1[C@H](Br)Cc1nc2ccccc2o1 2364037785 ULMJENZYBQCHQM-SSDOTTSWSA-N 463.955 4.765 50 10 JJGE O=C(N[C@@H]1C[C@H](CBr)C12CCC2)c1ccc(I)c(Cl)c1 2379697938 WMTKCHARRALWDP-ZWNOBZJWSA-N 468.560 4.628 50 10 JJGE COc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(Br)cc1Br 12583850 OLZRKRBVTJAKKM-FOKLQQMPSA-N 492.167 4.903 50 10 JJGE CCCCOc1ccccc1C(=O)NNC(=O)COc1ccc2ccccc2c1Br 14032079 NYZVWTZYUPXAJB-UHFFFAOYSA-N 471.351 4.621 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 33595174 MAIJHNXXYNUJMW-ZHZULCJRSA-N 489.507 4.524 50 10 JJGE N#C/C(=C/c1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)Nc1ccc(F)cc1 39858669 LLLTXWAXRUKYRP-SQFISAMPSA-N 460.852 4.825 50 10 JJGE Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)c1 59148857 OOIWCSWMPADCPM-RWPZCVJISA-N 460.530 4.925 50 10 JJGE CC[C@H](NC(=O)/C(C#N)=C\NC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc2c(c1)CCCC2 217193980 LUOOPKPMCBGESS-VOXVTYQFSA-N 466.626 4.529 50 10 JJGE CC[C@@H](CCBr)CNC(=O)c1cc(Br)ccc1I 233872143 KOCQNSLPMKUBOG-VIFPVBQESA-N 488.989 4.595 50 10 JJGE COc1cccc(C=NNC(=O)c2[nH]c3c([N+](=O)[O-])cc(C)cc3c2-c2ccccc2)c1OC 254399764 YEKHWVAOYLMTFU-UHFFFAOYSA-N 458.474 4.833 50 10 JJGE COc1ccccc1/C=C\C=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 254400719 UAZAQTCARYPPBG-YLYIYYPWSA-N 469.570 4.850 50 10 JJGE Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2c(C)nn(-c3ccccc3)c2N2CCCC2)c1 254514357 UUOSQNINNLBMMK-UHFFFAOYSA-N 459.594 4.742 50 10 JJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc4ccccc4c3)cc2)cc1 254570925 OXYRBRVCZBVDBN-UHFFFAOYSA-N 454.482 4.597 50 10 JJGE CC(C)(C)[C@@H](CBr)NC(=O)c1cc(I)ccc1Br 393967865 HICYRCUNSMYONL-LLVKDONJSA-N 488.989 4.593 50 10 JJGE CCn1nc(C)c2nc(CCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c21 706660062 DYWQDYZMMPZCSL-UHFFFAOYSA-N 464.013 4.771 50 10 JJGE COC(=O)c1sc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1C 818070718 BUJGTSQNHIKRPX-WJDWOHSUSA-N 479.949 4.819 50 10 JJGE CC[C@@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C)c1ccccc1OCC(=O)NC 917729368 FAJGCVLMQRDELI-BTUGVJQXSA-N 488.563 4.533 50 10 JJGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccccc1Cl 1084349792 PHBMWYJBAILLIL-JOCHJYFZSA-N 452.938 4.892 50 10 JJGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 1084362664 PQQDZJSAYHCWHY-HSZRJFAPSA-N 477.517 4.536 50 10 JJGE C#C[C@@H](NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)c1ccc(Cl)cc1F 1635191757 OSCAITAXTHTURH-IUZFBFHQSA-N 457.896 4.654 50 10 JJGE C#Cc1cccc(NC(=S)NNC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)c1 1644012146 YFBSSKJJPLLXRX-UHFFFAOYSA-N 456.502 4.760 50 10 JJGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 1865690635 XQQGQIBPQLKQOX-SANMLTNESA-N 464.525 4.987 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1865700179 MLACKRXLEVLVQO-OAQYLSRUSA-N 455.905 4.814 50 10 JJGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865701250 QFBWFMINDPGUTG-NRFANRHFSA-N 464.953 4.773 50 10 JJGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865708676 CMLIOQXFIJSANF-HSZRJFAPSA-N 478.508 4.773 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@H]2COC3(CCCCC3)C2)C1 1879030764 WKWGCZVCLLWXQQ-UZLBHIALSA-N 479.399 4.700 50 10 JJGE CC1(C)C[C@H](Br)CN(C(=O)c2scc(Br)c2Br)C1 1923190293 ASEVFCJSCAGTJX-ZETCQYMHSA-N 460.029 4.909 50 10 JJGE O=S(=O)(c1ccc(CBr)c(Br)c1)N(Cc1ccccc1)C1CC1 1984686476 HIIJLHGDWDVEEZ-UHFFFAOYSA-N 459.203 4.697 50 10 JJGE O=C(NC[C@@H](CBr)C(F)(F)F)c1csc(Br)c1Br 2043325616 KAZAXNBWYKXREQ-SCSAIBSYSA-N 473.934 4.576 50 10 JJGE F[C@@H](CBr)C1CCN(Cc2cc(Cl)ccc2I)CC1 2106957643 WZHYPMFHIQCKKF-ZDUSSCGKSA-N 460.556 4.890 50 10 JJGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)[C@H]2COC(C)(C)C2)sc1CBr 2123244487 WVCDTYSUFAMTLM-MRXNPFEDSA-N 458.443 4.710 50 10 JJGE Cn1ncc(CC(CBr)(CBr)Cc2ccccc2)c1Br 2173257980 NJQSXRPQJCLINZ-UHFFFAOYSA-N 465.027 4.744 50 10 JJGE CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(CBr)c(Cl)c1 2179793243 RCWZDORCQHXYKO-UHFFFAOYSA-N 471.848 4.520 50 10 JJGE CCc1ccc(CBr)cc1S(=O)(=O)N1CCC(OCc2ccccc2)CC1 2179853465 IFBSDQBCEANKSL-UHFFFAOYSA-N 452.414 4.514 50 10 JJGE Cc1c(Br)cnc2c1nc(CCl)n2[C@H]1CCOC[C@@H]1OCc1ccccc1 2184922721 OTNMVJPPZZIKEQ-IRXDYDNUSA-N 450.764 4.788 50 10 JJGE CN([C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21)S(=O)(=O)c1ccc(CBr)s1 2190545672 BIQMZKSWVFXDIN-OGWHTMIXSA-N 470.454 4.647 50 10 JJGE C[C@@]1(CCBr)CCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2205510848 KJISIPDGVAZEAW-GFCCVEGCSA-N 466.022 4.694 50 10 JJGE O=C(c1ccc(Br)cc1I)N1C[C@@H](Cl)CCC12CCC2 2207270657 CRKXZIJDIWMYNK-NSHDSACASA-N 468.560 4.820 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCC23CC4CC(CC(C4)C2)C3)C1 2223895194 VDTZPZPLMNEDCM-NNKBYLESSA-N 461.384 4.642 50 10 JJGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1[C@H]2CCC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2241741491 NPRAUBNZTJGGLM-HMDCTGQHSA-N 461.441 4.994 50 10 JJGE C[C@@H]1CC[C@@H](CBr)CN1C(=O)c1ccc(Cl)c(I)c1 2268343320 WUAGHPKBEBSAQQ-ZJUUUORDSA-N 456.549 4.580 50 10 JJGE CC(C)(C)OC(=O)NCC[S@](=O)(=NCC1(CBr)CC(F)C1)c1ccccc1 2280358894 IPATZDVSFSSROK-SHQVFDOJSA-N 463.413 4.551 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CC2(CBr)CCC1CC2 2283671646 ZBUPVRDGRBOGSY-UHFFFAOYSA-N 468.560 4.724 50 10 JJGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2293039197 NLNKGODYAUVTPR-JOCHJYFZSA-N 477.973 4.984 50 10 JJGE C[C@H](NC(=O)Cc1cc(Br)cc(Br)c1)[C@@H]1CCC[C@@H]1Br 2295308858 BNIXIUMARUEYNU-HERUPUMHSA-N 468.027 4.822 50 10 JJGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc1 2296719344 FZJBVCXZTMIVFD-UHFFFAOYSA-N 456.889 4.994 50 10 JJGE Fc1cc(-n2c(Cl)nc(Cl)c2CBr)cc(F)c1I 2318649294 GPEGVQNUHQJLLD-UHFFFAOYSA-N 467.866 4.957 50 10 JJGE Cc1sc(C)c(S(=O)(=O)N[C@@H](CCCl)COCc2ccccc2)c1Br 2320659537 CWZAEBMBEZQFLU-HNNXBMFYSA-N 466.850 4.620 50 10 JJGE CC(C)(CI)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1 2326671098 ASTDHWJYECWXQC-QGZVFWFLSA-N 458.384 4.742 50 10 JJGE COC[C@H](C)OC[C@H](Br)CCc1ccc(Cl)c(I)c1 2337219449 SPBHEUZJDKWZQP-CMPLNLGQSA-N 461.565 4.692 50 10 JJGE C[C@@H](Br)C[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1I 2340058361 QTXWLLYUFXZJOG-KOLCDFICSA-N 456.549 4.723 50 10 JJGE Cl[C@@H]1C[C@@H](CNCc2ccc(I)c(Br)c2)C12CCC2 2349857893 DABKKDNKZOVKHH-SMDDNHRTSA-N 454.577 4.941 50 10 JJGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)COc1ccc(Br)cc1C(C)(C)C 14668288 VPNRGIOSPCMTTJ-MRXNPFEDSA-N 499.405 4.894 50 10 JJGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40824057 KBBDMSSWJVMXCH-OGLMXYFKSA-N 474.439 4.736 50 10 JJGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825957 LZCKQYXEYAMIII-AJBULDERSA-N 496.523 4.630 50 10 JJGE Cc1ccc(OCC(=O)N/N=C2\C(=O)N(C/C=C/c3ccccc3)c3ccccc32)cc1Cl 59165374 ZSUVXIZSVQDLAU-UILBUYDZSA-N 459.933 4.608 50 10 JJGE COc1cc(OC)c(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1Br 59304746 OZTOAHJCVRGFHR-ZVBGSRNCSA-N 482.128 4.739 50 10 JJGE N#Cc1cc(I)c(Oc2nc(Cl)c(CCl)s2)c([N+](=O)[O-])c1 149641256 FOCBARXGYAXEBD-UHFFFAOYSA-N 456.048 4.712 50 10 JJGE CC(C)(C)c1ccc(Cn2cccc(C(=O)N/N=C\c3c(O)ccc4ccccc34)c2=O)cc1 169921155 AXVBYUVQBSEDCP-RHANQZHGSA-N 453.542 4.817 50 10 JJGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(C(C)(C)C)cc2)c(OCC)c1 206290310 QBUFAAZWXSWGPW-RGEXLXHISA-N 451.519 4.837 50 10 JJGE COc1cc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)ccc1Cl 382711743 ZIKZNEQEUADFMA-QWHCGFSZSA-N 451.732 4.734 50 10 JJGE CC1(C)C[C@H](Br)CCN(C(=O)c2cc(Cl)ccc2I)C1 395350308 RKONUDKFUYDCER-SNVBAGLBSA-N 470.576 4.970 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1 1084344512 ZLUCMLXCNWQRFW-UHFFFAOYSA-N 473.758 4.599 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)NN=C2C(=O)N(C/C=C/c3ccccc3)c3ccccc32)cc1 1084437038 LVXNGFXZFCMVTP-CSVGPTIDSA-N 467.569 4.943 50 10 JJGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(Cl)cc2-c2ccccc2)cc1 1476424042 ZAFMEBSORYZOIV-INIZCTEOSA-N 451.910 4.830 50 10 JJGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)c1 1865690524 UAKJLUPXDPVXTG-GOSISDBHSA-N 458.415 4.706 50 10 JJGE Cn1cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)c(Cl)c1 1865699571 XFHSXVQOEZBOBO-OAHLLOKOSA-N 468.266 4.814 50 10 JJGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706590 ZYOMMZFFQCZRRE-NRFANRHFSA-N 463.925 4.972 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865708721 DSTAUAJRJUNWQV-XMMPIXPASA-N 492.535 4.832 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1ccc([N+](=O)[O-])cc1 1865713328 WPJCJBDIFAVTOA-INIZCTEOSA-N 475.814 4.730 50 10 JJGE COc1cccc(Br)c1C(=O)N(C)C[C@@H](Br)COCc1ccccc1 1916332851 LPZYNERYTMFLKN-OAHLLOKOSA-N 471.189 4.510 50 10 JJGE CCC[C@H](Br)CCNC(=O)c1cc(I)ccc1Br 2029922281 KXUBZHTVKZOGCB-VIFPVBQESA-N 488.989 4.737 50 10 JJGE BrCC[C@@H]1CSCCN1Cc1cccc(Br)c1Br 2031478232 QFENIARCGZNQJH-LLVKDONJSA-N 458.057 4.914 50 10 JJGE BrCC[C@H]1CSCCN1Cc1c(Br)cccc1Br 2033084577 RAMHMCBCVKAOLC-JTQLQIEISA-N 458.057 4.914 50 10 JJGE CCN(C[C@](C)(CI)O[C@H]1[C@H]2CC[C@H]3[C@@H](C2)C[C@H]31)C(=O)OC(C)(C)C 2077677097 AHLOKNSOOPDLLR-SAKUIJKHSA-N 463.400 4.888 50 10 JJGE O=C(NC[C@]1(CBr)CC12CCC2)c1c(Br)cccc1Br 2154178034 FCWTWABQSCPZDN-OAHLLOKOSA-N 466.011 4.897 50 10 JJGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2CCC[C@]2(CCl)C1 2159402080 SWILGSDEBNLRBK-BONVTDFDSA-N 468.560 4.535 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(F)(F)F)CCN1C[C@H](CBr)C1CCC1 2163834895 HPFMVWZMQUIRNK-XHSDSOJGSA-N 457.375 4.965 50 10 JJGE CN(CC[C@@H](Br)c1ccccc1)C(=O)c1sccc1I 2168123952 DRAATXTVLSDSED-GFCCVEGCSA-N 464.166 4.951 50 10 JJGE CCOc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C2CC2)cc1CBr 2179830822 PHQAUNOBOJPMRG-MRXNPFEDSA-N 452.414 4.970 50 10 JJGE O=S1(=O)C[C@@H]2CCC[C@]2([C@@H](Br)c2ccc(Br)cc2Br)C1 2203687077 PAQFJXAGBKEMJA-HERUPUMHSA-N 487.051 4.863 50 10 JJGE CC(C)(C)OC(=O)N[C@]1(c2ccccc2)CCN(CCCCCI)C1 2220213012 BGWYQPZQYXTDDZ-HXUWFJFHSA-N 458.384 4.718 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCc2ccccc2C(F)(F)F)C1 2220471567 IHIWOBPDURVKNO-UONOGXRCSA-N 471.257 4.645 50 10 JJGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314534126 ZBTNHEFNHNROLP-UHFFFAOYSA-N 466.497 4.658 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccccc1OCC 2314753202 KRPRLYOJAGPWAM-UHFFFAOYSA-N 460.486 4.520 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2cc(C)ccc2C)c(OC)c1 2314785569 AHFPFSLLFOBYFQ-UHFFFAOYSA-N 464.562 4.900 50 10 JJGE FC1(F)CCN(Cc2cc(I)ccc2Cl)CC[C@@H]1Br 2352421420 MTJNMKJMQSKMDY-LBPRGKRZSA-N 464.519 4.939 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H]2C[C@@H](Cl)CC[C@H]21 2353893559 UCKYCVGQKIWMBF-NURSFMCSSA-N 468.560 4.676 50 10 JJGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCCc2ccccc2)cc1 2393215 JRHXETXHEBTWPR-NKFKGCMQSA-N 478.552 4.624 50 10 JJGE COc1ccccc1N[C@@H](C)C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1 27528214 HUMWVRIJYCPJPW-AEIQVQRHSA-N 482.378 4.987 50 10 JJGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1 38682362 SCZJTLWSAGAYDJ-DEOSSOPVSA-N 489.509 4.519 50 10 JJGE CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(N)=O)cc2OC)cc1OC 40890482 FGBYDBSLJHIVIM-RMFULTEWSA-N 478.545 4.674 50 10 JJGE CCOc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)ccc1O 40910678 YBRBTVZSWYJIEC-AFUMVMLFSA-N 469.335 4.750 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)O[C@H](C(N)=O)c2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 96931208 KNFLFERAYFMTPN-VWOYCULZSA-N 496.336 4.673 50 10 JJGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)sc(C(=O)OC)c1C 102924508 AJTDIAZAASSHFE-NTEUORMPSA-N 497.554 4.849 50 10 JJGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C\c3ccc(OC)cc3)ccc21 205642252 MXEISNZIGQAXSN-JEOMXEOWSA-N 468.509 4.931 50 10 JJGE O=C(N[C@H]1CCCCC[C@@H]1Cl)c1cc(I)ccc1Br 236049664 OMBGSVAJVCMVAD-STQMWFEESA-N 456.549 4.724 50 10 JJGE CC(=NNC(=O)c1c(Cl)c(C)nn1C)c1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1 252625510 QLOCDERYYYXEIM-UHFFFAOYSA-N 488.375 4.515 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2C[C@H]3CCCC[C@@H]3O2)C1 379132317 PNLXKYSSCHIBIT-NHAYFPRASA-N 479.399 4.555 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(Cl)cc2O)C1 382675637 PGJFQEYZVIOUPH-RHSMWYFYSA-N 471.722 4.833 50 10 JJGE COc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1F 382686945 JSDGPXBYXPWBHH-IRXDYDNUSA-N 469.294 4.622 50 10 JJGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(Br)ccc1Br 686180561 UTWPLGKPICETKZ-UMGHXEBTSA-N 466.011 4.988 50 10 JJGE COc1cc(C=NNC(=O)c2cccnc2)cc(Br)c1OCc1ccc(Cl)cc1 1084546635 QIZRATNDUJSZIF-UHFFFAOYSA-N 474.742 4.849 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)c(OC)c1 1865708239 REFLUMMASDJSIS-QGZVFWFLSA-N 476.842 4.780 50 10 JJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)CCc2ccccc2F)cc1 1866591750 IBMQSBGKBHOWQU-HSZRJFAPSA-N 465.525 4.837 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](NC(=O)[C@H]2CCCN2Cc2ccccc2F)c2ccccc2)cc1 1866916423 CACWDTHKGVHFHT-JWQCQUIFSA-N 488.588 4.859 50 10 JJGE Cc1c(Br)sc([C@H](Br)[C@@H]2CO[C@@H]3COC[C@H]32)c1Br 2040327898 ZWSZAVDTVBGWIJ-OKJYPTKPSA-N 461.013 4.679 50 10 JJGE O=C(NC[C@]1(F)C[C@H](CBr)C1)c1cc(Br)c(Br)s1 2049525132 AMGDXFVZLGJUMH-MHWOZMEASA-N 463.992 4.516 50 10 JJGE O=C(CBr)c1ccc(I)c(Br)c1C(F)F 2054781634 QEURRDMKRLTFBT-UHFFFAOYSA-N 453.846 4.569 50 10 JJGE COc1cc(Br)c(C)cc1[C@H](Br)c1cn(C)nc1Br 2116552208 SQMPVROTQIFXTR-LBPRGKRZSA-N 452.972 4.746 50 10 JJGE COC[C@]12C[C@]([C@H](Br)c3cc(Br)ccc3Br)(CO1)C2 2141160082 JPNKLAIMZHHFPO-MGPQQGTHSA-N 454.984 4.843 50 10 JJGE Cc1c(Br)c(COc2c(F)cc(Br)cc2CBr)nn1C 2150233572 HEFDNRXJEOJSHP-UHFFFAOYSA-N 470.962 4.867 50 10 JJGE Cc1nc2c(cc1Br)nc(CCl)n2[C@H]1CCOC[C@H]1OCc1ccccc1 2153125205 SBNSPXNBSXTNFS-ZWKOTPCHSA-N 450.764 4.788 50 10 JJGE O=C(NC[C@]12CCC[C@]1(CBr)C2)c1c(Br)cccc1Br 2208033214 NLMNNOQMCGGBKT-HUUCEWRRSA-N 466.011 4.897 50 10 JJGE C[C@@H]1CC[C@@H](Br)CN1C(=O)Cc1cc(Br)cc(Br)c1 2277936909 PXSLKZOEAYJJOY-MWLCHTKSSA-N 454.000 4.529 50 10 JJGE COc1ccc([C@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)cc1I 2284998493 RJCCALLXASCREO-DZJQYVJYSA-N 451.142 4.799 50 10 JJGE CC(F)(F)C[C@@H](CBr)NC(=O)Cc1cc(Br)cc(Br)c1 2295309316 HXEUNBPHGKKOCN-NSHDSACASA-N 477.969 4.679 50 10 JJGE C[C@H]1CCCN(C(=O)Cc2cc(Br)cc(Br)c2)[C@H]1CBr 2295318200 WZGZPQCSHVBRTH-HZMBPMFUSA-N 468.027 4.776 50 10 JJGE CCN(CC(C)(C)CI)[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2306808891 DQNSJNQDPIPOCO-CVEARBPZSA-N 452.421 4.853 50 10 JJGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCC)c(OCC)c2)c(OC)c1 2314738815 UXXQVPJMEDRGNX-UHFFFAOYSA-N 478.545 4.545 50 10 JJGE CN1CCN(c2ccc(NC=C(C#N)C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)CC1 2325141278 KMNVHUCEXHBAKD-UHFFFAOYSA-N 453.546 4.689 50 10 JJGE CC(F)(F)C[C@H](CCl)NCc1ccc(I)c(Br)c1 2325204098 LDRGLXZNJBVLBJ-SECBINFHSA-N 452.508 4.796 50 10 JJGE CC[C@@H](C)c1ccc(S(=O)(=O)N[C@H](CCBr)COCc2ccccc2)cc1 2369430683 HCPGCBVVYHXLFF-YLJYHZDGSA-N 454.430 4.849 50 10 JJGE COc1cccc(/C=N/NC(=O)c2ccccc2OCc2cccc(Br)c2)c1O 27528098 UOYMKAWSVCSFSX-ZMOGYAJESA-N 455.308 4.506 50 10 JJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C\c3ccc(F)cc3)cc2)cc1 33542008 FZNZQOQMYPFXNA-FMQZQXMHSA-N 459.521 4.850 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)ccc1OCC(C)C 38684176 UCWJKUFGQRFNJT-XMMPIXPASA-N 460.486 4.760 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@H]1c1ccc(Cl)cc1Cl 38688270 NYOMDPQMLSPGEF-XZOQPEGZSA-N 495.318 4.957 50 10 JJGE COc1cc(/C=N/NC(=O)CCCOc2ccc(C)cc2Br)ccc1OC(C)C 40951265 NFJGJCXXLAEJEI-ZVHZXABRSA-N 463.372 4.863 50 10 JJGE CN1Cc2cc([C@@H](Br)c3ccc(I)cc3)ccc2NC1=O 123295502 GWBGZNSJGACJLM-HNNXBMFYSA-N 457.109 4.753 50 10 JJGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 214249165 KOLBKZKKBSCADH-UUYOSTAYSA-N 454.505 4.988 50 10 JJGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 253320753 RBDGOOHZABRJTA-WGDKDWASSA-N 463.363 4.846 50 10 JJGE CC(=NNC(=O)c1cc(-c2ccccc2C)nc2ccccc12)c1cccc(NS(C)(=O)=O)c1 254290152 HHMDIOLCTVCBKI-UHFFFAOYSA-N 472.570 4.736 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(F)cc3)n2-c2ccc(C)cc2)cc1 263629820 JLHGWBJCOYOYMS-UHFFFAOYSA-N 475.549 4.633 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)NCCC(C)(C)CBr)cc1Br 385770537 GRKWZYUJCXMPQE-UHFFFAOYSA-N 492.071 4.610 50 10 JJGE O=S(=O)(N[C@@H](CBr)C1CCC1)c1c(Cl)cc(Br)cc1Cl 717583481 NVPVIYNKBOKRJV-NSHDSACASA-N 466.022 4.598 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cc(C(=O)O)ccc3Cl)c2C)cc1 1084605024 UBMNUFMGHVPOSA-XMMPIXPASA-N 497.979 4.808 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC)ccc1OCc1ccc(C)cc1 1865687959 FAFKIXUMMCIURT-XMMPIXPASA-N 458.562 4.970 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865711970 MNBWKKRXTXICHH-DEOSSOPVSA-N 464.525 4.834 50 10 JJGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)Cc1ccc(Cl)c(Cl)c1 1865757054 KYZAXVUPPIXONV-UHFFFAOYSA-N 450.272 4.646 50 10 JJGE COc1cccc(-c2csc(/C(C#N)=C/c3ccc(OCCN4CCOCC4)c(OC)c3)n2)c1 1872781577 KAELUYGXMYTJNW-KGENOOAVSA-N 477.586 4.602 50 10 JJGE C[C@@H](Br)[C@H](NC(=O)c1cc(Br)cc(Br)c1)C(F)(F)F 1882651563 KMBHDOJFNSJITB-ANLVUFKYSA-N 467.905 4.656 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC(Br)C1 1886115878 HCVUGDKTBDMMOQ-SLHYNJLBSA-N 485.422 4.982 50 10 JJGE O=S1(=O)CC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923050811 ZVSDGKQLDZPUFF-NJGYIYPDSA-N 487.460 4.797 50 10 JJGE Fc1ccc(Br)c(CO[C@@H](CCl)[C@H](I)CCl)c1 2025680586 JDRFFJPDHCWRHE-MNOVXSKESA-N 455.920 4.755 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2CCC[C@]2(CBr)C1 2103173221 SCXOSBMLWZXERR-SDBXPKJASA-N 472.040 4.910 50 10 JJGE Cn1nc(C[C@H](CBr)Cc2ccccc2Br)cc1Br 2111924057 FFCDEIARZPYLTN-SNVBAGLBSA-N 451.000 4.741 50 10 JJGE Cc1nn(C)c(Br)c1CC(CBr)(CBr)C1CCCC1 2129304454 RWOBDQNPMMYIDL-UHFFFAOYSA-N 457.048 5.000 50 10 JJGE CC1(C)CC[C@@H](CBr)N1C(=O)c1cc(Br)cc(Br)c1 2140848965 HAZGBQGFSXQOHV-LBPRGKRZSA-N 454.000 4.990 50 10 JJGE O=C(N[C@H](CCl)C1CCCC1)c1ccc(Br)cc1I 2142288386 RXDUISLKPGMBHM-CYBMUJFWSA-N 456.549 4.581 50 10 JJGE CN(C1(CCBr)CCC1)S(=O)(=O)c1cc(Br)ccc1Br 2205846722 SBAJGJLCFHTUIJ-UHFFFAOYSA-N 490.055 4.540 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CCC2CC1(CBr)C2 2314953389 KCZNBJPXYLMAAD-UHFFFAOYSA-N 458.013 4.663 50 10 JJGE O=C(NCCCCCCI)c1ccc(Cl)cc1I 2317765014 DDMRXCQDPVWMGM-UHFFFAOYSA-N 491.538 4.670 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 2331276436 XDXJNRHNENPZQH-UHFFFAOYSA-N 490.497 4.596 50 10 JJGE CC(C)[C@@H](CBr)N(C)c1ncc(C(F)(F)F)cc1I 2341307343 BVAAGAAPZAMBHB-SNVBAGLBSA-N 451.068 4.561 50 10 JJGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2OCCO[C@H]2C)c1Br 2365190812 IRIFNMCVCPEIQQ-QWRKXWFKSA-N 472.999 4.769 50 10 JJGE C[C@H](Br)C12CCC(CC1)N2C(=O)c1ccc(Cl)cc1I 2365598597 QYNOSWNBIRIUMU-IEBVAXJPSA-N 468.560 4.865 50 10 JJGE CC(C)(C)[C@](C)(CBr)CN1C[C@@H](NC(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F 2380163130 CSAKXAUDGZTZPX-MISXGVKJSA-N 455.281 4.508 50 10 JJGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1sc2ccccc2c1Cl 13980520 FGVKYHYYQNTIQJ-CYBMUJFWSA-N 476.023 4.783 50 10 JJGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C(C)C)cc1 14649729 QJXZKACFOPLJBD-UHFFFAOYSA-N 463.372 4.591 50 10 JJGE COc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccccc3)C(=O)N2c2ccccc2)cc1 33760378 YTRPFSYWQBYOIH-QPQMVVSWSA-N 455.539 4.760 50 10 JJGE N#CC1=C(S)N[C@](O)(c2ccccc2)[C@H]([n+]2cccc3cc(Cl)ccc32)[C@@H]1c1cccnc1 35242906 AUDZBCDXIBAZOK-MZKUHISZSA-O 471.993 4.614 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1 38650386 QECLBVJDQBHDKZ-VWLOTQADSA-N 476.916 4.860 50 10 JJGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 39992911 VKVXICMDJVHVIB-OBGWFSINSA-N 454.461 4.734 50 10 JJGE O=C(NNc1ncnc(Nc2nc3ccccc3s2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40645369 YYYHGOJJWPCCOC-UHFFFAOYSA-N 476.305 4.802 50 10 JJGE COC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2)c(OC)c1 40858983 GZFPKLZNLKWHTF-XDJHFCHBSA-N 451.519 4.837 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1cc(C)cc(C)c1C 206399757 PVMCZIXKLZECBC-OYKKKHCWSA-N 484.552 4.828 50 10 JJGE COCCCOCCOc1c(Br)cc(CBr)cc1Br 234628790 DYBCWKLOIMTABF-UHFFFAOYSA-N 460.988 4.538 50 10 JJGE COc1ccc(C=NNC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1I 252633928 WILNTHOEHLWOFN-HXUWFJFHSA-N 496.348 4.756 50 10 JJGE CC(=NNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccc(NS(C)(=O)=O)cc1 254312910 YOGDSJMPAKJCDQ-UHFFFAOYSA-N 472.570 4.736 50 10 JJGE CCOc1cc(C=NNC(=O)COc2ccccc2C)ccc1OC(=O)c1ccccc1Cl 254749620 IAEVLGKAEZTHDY-UHFFFAOYSA-N 466.921 4.795 50 10 JJGE CCOc1ccc([C@@H](Cl)c2cnn(C)c2I)cc1Br 379210362 MSJMANILONLGEH-GFCCVEGCSA-N 455.521 4.514 50 10 JJGE C[C@H](Br)C[C@@H]1CCCCN1C(=O)c1ccc(F)cc1I 380228547 KYSAVGQWAPVVDX-JQWIXIFHSA-N 454.121 4.599 50 10 JJGE BrC[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(I)cc1 382684365 GUKLFQNUEZFJCN-SJLPKXTDSA-N 456.165 4.902 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccc(O)c(Br)c2)C1 382728188 RYJWEZHEGOFAHW-RYUDHWBXSA-N 482.156 4.540 50 10 JJGE C[C@@H]1CC([C@@H](Br)c2cc(I)cc3c2OCC3)C[C@@H](C)O1 724390990 RVXKSNMWYXTGKW-IQMDTDKHSA-N 451.142 4.866 50 10 JJGE O=C(NN=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cc(Br)ccc1O 1084216121 YNCOLNOXYPBXKP-UHFFFAOYSA-N 464.659 4.740 50 10 JJGE CC(=O)c1ccc(Nc2ccccc2C(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 1448727808 RHPIJVMULVTDAZ-MRXNPFEDSA-N 451.910 4.515 50 10 JJGE CC(=O)N1CC[C@H](NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)c2ccccc21 1518263171 RXHLSRAXFOFBEF-VNSJDZJPSA-N 456.521 4.754 50 10 JJGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(Cl)c2)CCC3)cc1 1772745643 FAHVFGCSYLWFAP-UHFFFAOYSA-N 480.904 4.718 50 10 JJGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cn(C)c3ccccc23)cc1 1865699311 QFRVHGUPWIADHS-HXUWFJFHSA-N 463.463 4.969 50 10 JJGE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 1865705468 WNRGMUWBBXTOKS-RUZDIDTESA-N 462.509 4.927 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 1865706342 UGUZBPFRVYSVOA-HNNXBMFYSA-N 461.787 4.671 50 10 JJGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865706823 GGLIDORIQFFXAD-XMMPIXPASA-N 458.562 4.736 50 10 JJGE COc1ccc(-c2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3O)c(C)n2)cc1 1865762132 PFIUKCUSZAQTLV-MYKKPKGFSA-N 474.742 4.951 50 10 JJGE CC(C)[C@@H](Br)C(=O)Nc1ccc(Cl)c(I)c1Cl 1945187886 JCISLQKPPYVAET-MRVPVSSYSA-N 450.929 4.956 50 10 JJGE C[C@H]1CC[C@H](CBr)N(C(=O)c2scc(Br)c2Br)C1 2048050699 CCYYNUGOPDASHY-JGVFFNPUSA-N 460.029 4.909 50 10 JJGE O=C(Cc1ccc(O)c(Br)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2050362246 LXKBEXIIOZESIU-SFHVURJKSA-N 467.201 4.900 50 10 JJGE CCOC(=O)C12CCC(CI)(CC1)O[C@@H]2c1cccc(OC(F)(F)F)c1 2080418933 JKLYYUTYZIHZNI-ODIFPOPNSA-N 484.252 4.954 50 10 JJGE O=S(=O)(c1ccc(CBr)cc1Cl)N(Cc1ccccc1)C[C@H]1CCCO1 2123210885 QOOKMSSTJKZEJV-QGZVFWFLSA-N 458.805 4.605 50 10 JJGE CC1(C)CC[C@@H](CCl)N1C(=O)c1ccc(I)c(Br)c1 2140854749 XGSQXVLHNPRJRI-JTQLQIEISA-N 456.549 4.676 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CCC2(CC1)C[C@@H]2CBr 2148909544 KBANTZJHCXNIFR-LLVKDONJSA-N 466.011 4.849 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CCC[C@@H](CCBr)CC1 2149746114 BEQSWDLITUUZDU-NSHDSACASA-N 470.576 4.972 50 10 JJGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)n(C(C)C)c1 2179858473 OXFZTMWAEQUMTJ-UHFFFAOYSA-N 457.434 4.581 50 10 JJGE CC1(C)C[C@@](C)(CBr)CN1C(=O)c1cc(Cl)ccc1I 2199538060 IBZRNYPEPUQKHH-HNNXBMFYSA-N 470.576 4.970 50 10 JJGE Cc1sc([C@H](Br)c2cnn(C)c2I)c(Br)c1C 2246389792 WSOHFQLLFKVHIW-SECBINFHSA-N 490.002 4.950 50 10 JJGE CC[C@H](Br)[C@H]1CCCCN1C(=O)c1c(F)cccc1I 2282782909 DYRVAMDOOJSKCC-GXFFZTMASA-N 454.121 4.599 50 10 JJGE CS(=O)(=O)C1CC([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)C1 2285271890 QJONZHPXJXITCP-JCSINIIFSA-N 452.542 4.640 50 10 JJGE C[C@@H]1C[C@H](CBr)CN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295307074 DYTGLTJZPXQZMC-ZYHUDNBSSA-N 468.027 4.634 50 10 JJGE BrC[C@H]1C=CCCN1Cc1ccc(I)c(Br)c1 2306218187 XOVLCNGMRPOUNP-LLVKDONJSA-N 470.974 4.579 50 10 JJGE COc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593563 PEWKFCUBXVULQI-VWLOTQADSA-N 483.593 4.746 50 10 JJGE CCOc1cc(C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314618221 JPEMPEPZYFHPIP-UHFFFAOYSA-N 494.975 4.946 50 10 JJGE CCCOc1ccc(C=NNC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc1Cl 2323652907 QDGWNGSLYQRCNY-UHFFFAOYSA-N 458.345 4.756 50 10 JJGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CNCCc1ccc(Br)cc1 2325312856 JVSJDRKATYYAMY-UHFFFAOYSA-N 470.367 4.584 50 10 JJGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)CC1=O 2331286637 SYCFJGFSCHFQDM-CYBMUJFWSA-N 481.480 4.721 50 10 JJGE CC(C)[C@H]1C[C@H](Br)CN1C(=O)c1ccc(Cl)c(I)c1 2344768389 HOLRYKVZRYZCNX-GXFFZTMASA-N 456.549 4.579 50 10 JJGE COc1ccc([C@@H](Br)[C@H]2OC[C@@H]3CCCC[C@H]23)cc1I 2359457461 QBQOASNEKIKWPZ-RKLWJJNISA-N 451.142 4.941 50 10 JJGE COc1ccccc1/C=C\C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 33730172 CBADSDCSJCKAMW-AQTBWJFISA-N 471.557 4.719 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2)cc1 38650188 XASFILUMWSKXPF-VWLOTQADSA-N 456.498 4.921 50 10 JJGE O=C(CCCc1c(-c2ccccn2)[nH]c2ccccc12)NNC(=O)c1ccc(Br)cc1 39846646 NGXGOGQQTMPVHR-UHFFFAOYSA-N 477.362 4.776 50 10 JJGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)c1 40529866 SRRJQSRGPUVSJJ-QLXKLKPCSA-N 486.499 4.982 50 10 JJGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)c1 40530208 VFJLNWOFXRKXCH-RUZDIDTESA-N 476.916 4.941 50 10 JJGE O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1cc(Br)ccc1OCc1ccccc1 96286830 UCNYSLGEVZHNKT-SRZZPIQSSA-N 460.309 4.762 50 10 JJGE O=C(Nc1cc(Br)ccc1I)[C@@H](Cl)c1ccccc1 306023263 UNZFZRFUNLLPJD-ZDUSSCGKSA-N 450.501 4.972 50 10 JJGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCC[C@H]1CCBr 312979572 QNOSQSSSDADDBE-VIFPVBQESA-N 466.022 4.694 50 10 JJGE Fc1cc2c(cc1I)nc(CCl)n2Cc1coc(Br)c1 378910710 JEBCPBSNFNMECY-UHFFFAOYSA-N 469.479 4.923 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@@H](c2ccc(Br)s2)C1 382725128 PSXCIOJEWXZKCE-UWVGGRQHSA-N 472.186 4.896 50 10 JJGE CC[C@H](NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)[C@H](C)Br 386647186 AZGLHAUIBRGNSG-WKEGUHRASA-N 454.011 4.596 50 10 JJGE COc1ccc2nc(CCCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2n1 705603504 JDVMLZBLRDWIJF-UHFFFAOYSA-N 477.008 4.693 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)N2CCC(CC(=O)NC3CCCC3)CC2)c(C)n1-c1ccc(F)cc1 920031903 CSDIYOOQAOXMCU-HAVVHWLPSA-N 476.596 4.828 50 10 JJGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)NN=C/C(Br)=C\c1ccccc1 1084485258 STUYVQXPHQDXMU-ZQKHOTQQSA-N 451.246 4.593 50 10 JJGE C=CC[C@H](NC(=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccncc1 1633820879 ZVDKDTOAARVRLZ-SANMLTNESA-N 458.678 4.782 50 10 JJGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNc1ccccc1)CCC2 1772751020 SQDAJCCADSSRQM-UHFFFAOYSA-N 481.350 4.578 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc2c(c1)OCCO2 1865698362 QYFTUKNYVGIYDM-GOSISDBHSA-N 488.853 4.593 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@@H]2CC(=O)c3ccccc32)cc1 1867240177 LXBFLBITYAKTAJ-CYFREDJKSA-N 469.566 4.686 50 10 JJGE O=S1(=O)CCC([C@H](Br)c2cc(Br)sc2Br)CC1 1942224968 CPMXONYHKKQSEB-VIFPVBQESA-N 467.042 4.534 50 10 JJGE CN(c1ncc(I)cc1Br)[C@H]1CCCC[C@H]1Br 2015756939 MRPWQGWIKCLJBG-KOLCDFICSA-N 473.978 4.591 50 10 JJGE BrCc1cc(Br)cc(Br)c1OC[C@H]1[C@H]2COCC[C@H]21 2093708466 AGJHQRRQOJEPJQ-GRYCIOLGSA-N 454.984 4.768 50 10 JJGE CC(F)(F)C[C@H](CBr)NC(=O)c1cc(Br)cc(Br)c1 2113236206 RSBGRBUGSVZJOU-SNVBAGLBSA-N 463.942 4.750 50 10 JJGE Cc1cccc(C(=O)N[C@H](C)CCCCCI)c1I 2117895882 VYPRPZCGHPLZIB-GFCCVEGCSA-N 485.147 4.713 50 10 JJGE CC(C)[C@H]1[C@H](Br)CCN1C(=O)c1ccc(Br)cc1Br 2126101676 RGFKSNYKIWEFQV-YPMHNXCESA-N 454.000 4.846 50 10 JJGE COc1c(C)cc(Br)cc1[C@H](Br)c1c(Br)cnn1C 2141620468 HQBGWFLAKXDVAH-NSHDSACASA-N 452.972 4.746 50 10 JJGE CN(C(=O)c1cc(Cl)ccc1I)[C@H](CCBr)C(F)(F)F 2178515024 IJVCHIMCPWSTMS-SNVBAGLBSA-N 484.481 4.733 50 10 JJGE Cc1cccc(C(=O)N2CCCC(C)(C)[C@@H]2CBr)c1I 2185802835 WURYKKUTDGSZFR-ZDUSSCGKSA-N 450.158 4.625 50 10 JJGE Brc1ccc([C@H](CI)OC[C@@H]2C[C@]23CCCOC3)cc1 2198380617 QNYPOMWCTBZUNO-BPUTZDHNSA-N 451.142 4.759 50 10 JJGE CCC[C@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@@H]1CBr 2205698812 SXSIRAIDFRGNEV-IUCAKERBSA-N 465.660 4.596 50 10 JJGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@@H](Cl)CC[C@H]2C1 2207274005 YQMKZYFVSVZTEM-UMNHJUIQSA-N 468.560 4.533 50 10 JJGE COc1cc(Br)c([C@H](Br)c2cn(C)c(Br)n2)cc1C 2227730884 MECIGWNSYICSJX-LBPRGKRZSA-N 452.972 4.746 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCCCN(C(=O)OC(C)(C)C)CC1 2244840949 BVNKKQVNIGDAMJ-QGZVFWFLSA-N 463.710 4.662 50 10 JJGE CC(C)C[C@H](CBr)CNC(=O)Cc1cc(Br)cc(Br)c1 2295314480 YMUOGAMXVXBTKC-GFCCVEGCSA-N 470.043 4.928 50 10 JJGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)NC)cc1 2314592833 CQCHCJZWTHQCNX-GOSISDBHSA-N 476.385 4.564 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCc2cc(F)ccc2C(F)F)C1 2316339418 XJLRPBPBGNKOLG-ZIAGYGMSSA-N 471.257 4.703 50 10 JJGE COc1ccc(C(=O)N[C@H](CCBr)COCc2ccccc2)c(Br)c1 2320355902 DPTVFLPGGIFGQE-OAHLLOKOSA-N 471.189 4.558 50 10 JJGE C[C@H](NC(=O)C(C#N)=CNCCc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 2325119021 QSWJQTVNWONSQS-KRWDZBQOSA-N 452.396 4.745 50 10 JJGE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C[C@]1(CBr)CC1(F)F 2326919409 MJEBGGZCPMHTOI-QWFCFKBJSA-N 459.375 4.918 50 10 JJGE CC[C@@]1(C)[C@H](Cl)CCN1C(=O)c1cc(Br)ccc1I 2336763347 ZMCSWFPJHZNQSU-OCCSQVGLSA-N 456.549 4.676 50 10 JJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2cc(Br)cc(Br)c2)[C@@H]1C 2344519983 IDWFDIUODZWILX-RWEMILLDSA-N 454.000 4.846 50 10 JJGE Cc1nc(Br)c([C@H](Br)c2cc3c(cc2Br)OCC3)n1C 2362483458 PUHPJRIQTQQWPG-GFCCVEGCSA-N 464.983 4.673 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1 14025463 UYKLMJBEGKYLCM-UHFFFAOYSA-N 463.372 4.557 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(C)cc2)cc1Br 14640720 SSGTZSMLBXXSLT-UHFFFAOYSA-N 463.372 4.557 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 38608394 JMPXTQWFSQEDOO-LPYMAVHISA-N 453.454 4.956 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@@H]1c1cccs1 38656704 RGVPJQJVWFBQRR-IBGZPJMESA-N 453.863 4.747 50 10 JJGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cccc5ncccc45)c(C)c32)c1 40822479 SAZGELPSICSFIQ-JBASAIQMSA-N 468.513 4.868 50 10 JJGE C=CCc1cccc(/C=N/NC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)c1O 58988421 QYLGOQHTYLSJTM-VUTHCHCSSA-N 497.624 4.729 50 10 JJGE CCCOc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(CCC)C(=O)CCl)cc1OC 97914803 UKEFYJDBHFASCY-WFHLNLCJSA-N 453.023 4.697 50 10 JJGE N#CSc1ccc(NC(=O)C2CCN(C(=O)Cc3ccc(Br)s3)CC2)cc1 1860605019 QPVNKGZYBZQQAS-UHFFFAOYSA-N 464.410 4.504 50 10 JJGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681458 NSKYQLBHSCVPQL-JOCHJYFZSA-N 486.915 4.831 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865683234 BBCDLHBKMLCVQE-HSZRJFAPSA-N 468.488 4.670 50 10 JJGE C[C@@H](NC(=O)c1cc(Br)c(Br)s1)c1nnc(CBr)s1 1877557466 CXLAUMPCLJJZOF-SCSAIBSYSA-N 490.040 4.511 50 10 JJGE Cn1c([C@H](Br)c2sc(Cl)cc2I)cnc1Cl 1901025142 DHOSLFBSKOZPMD-ZETCQYMHSA-N 451.942 4.877 50 10 JJGE O=S(=O)(CCCOCc1ccccc1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915171120 CCXDJYJGBPIHKE-QFIPXVFZSA-N 466.441 4.599 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 1985347764 YHLKULLKXMHLPE-SJORKVTESA-N 463.710 4.566 50 10 JJGE CC[C@H](Br)CN(CC)C(=O)c1cc(I)ccc1Br 2044551235 RWPMZHJMNICLIR-VIFPVBQESA-N 488.989 4.689 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2CC(Br)C[C@H]2C1 2065399836 PVWQAKYKMUNZDP-BQBZGAKWSA-N 458.013 4.519 50 10 JJGE Brc1cc(I)cnc1N1CC2(CCC(Br)CC2)C1 2069531997 PNCNGBSMRRSCEN-UHFFFAOYSA-N 485.989 4.593 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CC[C@@H](Br)C(F)(F)CC1 2093621543 UAWBKFYVPQIRNT-SSDOTTSWSA-N 481.982 4.908 50 10 JJGE C[C@@H](Br)C12CCC(CC1)N2C(=O)c1cc(Cl)ccc1I 2153385389 DXHOJBBKXXVDBH-IWPPJYEWSA-N 468.560 4.865 50 10 JJGE CCn1cc(Br)c(CC(CBr)(CBr)c2ccccc2)n1 2181151836 SMIJFIQUDSYUNL-UHFFFAOYSA-N 465.027 4.936 50 10 JJGE Cc1cc(C(=O)N(C)[C@H]2CCCCC[C@@H]2Br)ccc1I 2207105989 WAQGVWPEJQFETE-ZFWWWQNUSA-N 450.158 4.768 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CI)O[C@@H]1CCC[C@H](C(F)(F)F)C1 2217091607 USWXSVMRQQJRTR-ZOWXZIJZSA-N 465.294 4.843 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](O[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 2217092508 ZXQDVCDPFGHMKL-QNWHQSFQSA-N 463.278 4.547 50 10 JJGE Fc1cc(Br)cc(F)c1CO[C@H](CCl)[C@H](I)CCl 2259031539 KKIYDDHVDZURGW-GHMZBOCLSA-N 473.910 4.894 50 10 JJGE CCOC(=O)C(C#N)=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1 2297617059 SNHAENFVSLVGCJ-UHFFFAOYSA-N 475.295 4.805 50 10 JJGE O=C(NN=C(C=Cc1ccccc1)C=Cc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 2313530555 KDOVEMDATATEFM-UHFFFAOYSA-N 458.430 4.721 50 10 JJGE CC(C)(C)OC(=O)NCC[C@H]1CCN(CCCCI)[C@@H](C(F)(F)F)C1 2315834777 QGOKNHJVQCMIHX-UONOGXRCSA-N 478.337 4.759 50 10 JJGE CC(C)[C@@H]1C[C@@H](Br)CN1C(=O)c1cc(Br)c(Br)s1 2321512871 XIXHUVLKTYXJDQ-APPZFPTMSA-N 460.029 4.907 50 10 JJGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2[C@H]3COC[C@H]32)c1Br 2339674099 HXQGQZFNMDFCII-VVJJBPBLSA-N 454.984 4.857 50 10 JJGE COC[C@H](C)OC[C@H](Br)CCc1cc(I)ccc1Cl 2352415988 PDEUAEOPRBNERJ-CMPLNLGQSA-N 461.565 4.692 50 10 JJGE O=C(c1ccc(Br)cc1I)N1[C@H]2CCC[C@H]2C[C@@H]1CCl 2358308540 FCEXXTLCAPRMTO-PXWWUCIGSA-N 468.560 4.676 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CC(S(C)(=O)=O)C1 2365196864 QRWCOKVDFPRZFH-OIAXGBPSSA-N 493.030 4.918 50 10 JJGE COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)c1OCc1ccccc1F 32520665 WYXYQQJVMTUNCR-LGJNPRDNSA-N 464.522 4.532 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1c(F)cccc1Cl 38680211 RRAGNQSQSWAUBQ-QFIPXVFZSA-N 468.843 4.821 50 10 JJGE O=C(COc1ccc(-c2ccccc2)cc1Br)N/N=C/c1cccc([N+](=O)[O-])c1 40902794 QVKXGWCAWNRROK-YDZHTSKRSA-N 454.280 4.553 50 10 JJGE COc1cc(/C=N/NC(=O)COc2cccc(C)c2)cc(Br)c1OCc1ccccc1 40912363 DAEVLZISXIORBC-VULFUBBASA-N 483.362 4.874 50 10 JJGE COc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(Cc2ccccc2)C(=O)CCl)cc1OC 97914832 GCYSRVPFDPLDRH-JUWHTYBZSA-N 473.013 4.707 50 10 JJGE CCNC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(N3CCCCC3)o2)sc2c1CCCC2 205774161 QIGYDJRCOHVPRR-JQIJEIRASA-N 452.580 4.506 50 10 JJGE COc1ccc(C(C)=NNC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)cc1OC 254798332 OXZHNYOKUFZLGH-UHFFFAOYSA-N 470.529 4.827 50 10 JJGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3cccs3)nnc2-c2ccc(C)cc2)cc1 254882883 BUTOTLVYBHVXMI-UHFFFAOYSA-N 477.615 4.945 50 10 JJGE BrCC(CBr)(CO[C@@H]1CCCOC1)c1ccccc1Br 380089144 CVCHSBDGUNDRFK-GFCCVEGCSA-N 471.027 4.672 50 10 JJGE BrCc1c(Br)cccc1N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 404143950 GXZCIZCTSXVQMS-RTWAWAEBSA-N 480.244 4.824 50 10 JJGE C[C@@H]1CCCN(C(=O)c2cc(Br)cc(Br)c2)[C@@H]1CBr 688679659 PVCGIALIPRYZGC-NOZJJQNGSA-N 454.000 4.847 50 10 JJGE CN(C[C@@H]1CCC[C@@H]1Br)C(=O)c1cc(Br)sc1Br 689296786 BIQHNTRSPNZDNE-CBAPKCEASA-N 460.029 4.909 50 10 JJGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCC#N 1083930893 ARICBTDMMNSUKB-UHFFFAOYSA-N 468.307 4.599 50 10 JJGE COc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751093 HPUALYQYGLALBY-UHFFFAOYSA-N 468.513 4.868 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1O 1865682007 CYYCJYHMRAICJT-HXUWFJFHSA-N 478.430 4.977 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865683415 CUFCJXVOAHUYLS-XMMPIXPASA-N 464.525 4.839 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1cccc(Br)c1 1865684798 YRNDJWGPWHXPQD-HNNXBMFYSA-N 461.241 4.872 50 10 JJGE Cc1scc(C(=O)N[C@H](CCBr)COCc2ccccc2)c1Br 1902873022 QVMXNRGWWXGGME-CQSZACIVSA-N 461.219 4.919 50 10 JJGE Cc1cc(C[C@H](Br)CN2C(=O)c3ccccc3C2=O)c(C)cc1Br 1905372270 UFQQSBDFDQZJBN-AWEZNQCLSA-N 451.158 4.668 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CC[C@H](Br)C12CCC2 1914418874 JOMBEOXHDDXGAD-QMMMGPOBSA-N 458.013 4.805 50 10 JJGE Brc1cccc(CN2C[C@@H](Br)C[C@@]3(CCCO3)C2)c1Br 1924261801 ZXIBTQADBVFFRQ-WFASDCNBSA-N 468.027 4.730 50 10 JJGE O=C(c1cc(I)ccc1F)N(CCCBr)Cc1ccccc1 1961214022 IKKALLXLMGEYCA-UHFFFAOYSA-N 476.127 4.858 50 10 JJGE C[C@H]1CC[C@H](CBr)CN1C(=O)c1csc(Br)c1Br 2032958917 PGYGKCTZXFUCKL-JGVFFNPUSA-N 460.029 4.909 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H]2CC(Br)C[C@@H]2C1 2065396055 BSVRPYRXNOFWKU-RNFRBKRXSA-N 458.013 4.519 50 10 JJGE O=C(NC[C@H]1CCC[C@@H]1CBr)c1cccc(Br)c1Br 2092339251 BZWRVMNXACMCME-NXEZZACHSA-N 454.000 4.753 50 10 JJGE C[C@H]1C[C@@H](Cl)[C@H](C)CN1C(=O)c1cc(Br)ccc1I 2093101654 NQSNMKSETJFQBR-VDDIYKPWSA-N 456.549 4.532 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@@H](Br)CC12CCC2 2099390554 YQTVTVZMUGJHKQ-VIFPVBQESA-N 451.984 4.744 50 10 JJGE C[C@H](Br)C[C@H]1COCCN1Cc1c(Br)cccc1Br 2128864893 NBXOIQJSDXVLSF-QWRGUYRKSA-N 456.016 4.586 50 10 JJGE COc1cc(F)c([C@H](Br)c2c(Br)cnn2C)cc1Br 2138161384 PWKCZJMGCVUWLH-NSHDSACASA-N 456.935 4.577 50 10 JJGE COc1ccc([C@@H](Br)c2cnn(C)c2I)c(Cl)c1Cl 2138628811 XAIRACFEEQIKNM-SECBINFHSA-N 475.939 4.824 50 10 JJGE O=C(CCCCBr)Nc1ccc(C(F)(F)F)cc1I 2139265923 DMACBZBTEPNHFQ-UHFFFAOYSA-N 450.036 4.814 50 10 JJGE O=S(=O)(N[C@H]1CC[C@@H](CBr)C1)c1c(Cl)cc(Br)cc1Cl 2146225936 XIKZJLRQVXTXBT-APPZFPTMSA-N 466.022 4.598 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CCC(F)(F)[C@@H](CBr)C1 2150492593 BRCXBZIJRBWMQX-QMMMGPOBSA-N 475.953 4.704 50 10 JJGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1cc(Br)cc(CCl)c1F 2153182365 SYNYMWCWPVEATR-UHFFFAOYSA-N 478.811 4.945 50 10 JJGE O=C(NC1(CCl)CC2(CCC2)C1)c1ccc(I)c(Br)c1 2163540949 NYNWOZXDOXOUQH-UHFFFAOYSA-N 468.560 4.725 50 10 JJGE Brc1cccc([C@@H](CI)OCCCN2CCCCC2)c1 2175870595 RGUOTDLOKYYDBG-MRXNPFEDSA-N 452.174 4.818 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2184575043 QEQHTTPFFYEIQU-KFKUMKOWSA-N 466.011 4.990 50 10 JJGE CN(C(=O)c1ccc(Br)cc1Br)[C@H](CBr)CC1CC1 2226158706 ANYUQKGQKSNMOH-NSHDSACASA-N 454.000 4.847 50 10 JJGE Cc1c(Br)sc([C@H](Br)C2CC(S(C)(=O)=O)C2)c1Br 2257527974 UPAKHUGAYJBEDZ-QXUHLLMWSA-N 481.069 4.841 50 10 JJGE Cn1nc(Br)c([C@H](Cl)Cc2cc(Br)cc(Br)c2)n1 2263515995 VXNVLNVHTPXBSE-SECBINFHSA-N 458.379 4.625 50 10 JJGE CC[C@H](Br)[C@@H](CC)NC(=O)Cc1cc(Br)cc(Br)c1 2277934498 AENKGSWAYUVIHY-QWHCGFSZSA-N 456.016 4.822 50 10 JJGE COc1ccc(OC)c([C@@H](Br)c2c(F)cccc2I)c1 2282892559 CZDXEPSUJGLYBY-OAHLLOKOSA-N 451.073 4.932 50 10 JJGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(Br)c2)sc2c1CCCC2 2296818148 QBECIQIUJUINOK-UHFFFAOYSA-N 475.364 4.730 50 10 JJGE Cc1ccc(-n2cnc(I)c2I)c(CCl)c1Cl 2299072297 VRIGTMOJBUVNCS-UHFFFAOYSA-N 492.913 4.782 50 10 JJGE C=CCOc1c(Cl)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 2313566802 AOZDBOZQZVQDBJ-UHFFFAOYSA-N 451.954 4.559 50 10 JJGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2314618249 KEIZGYQBDBIBFY-JOCHJYFZSA-N 462.933 4.690 50 10 JJGE COc1cccc(Br)c1C(=O)N[C@H](CCBr)COCc1ccccc1 2320356268 JTSYDLDAJGBVCY-OAHLLOKOSA-N 471.189 4.558 50 10 JJGE COc1cc(C=NNC(=O)[C@@H](N)Cc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 2328798714 XOZGDAMENKMNRT-NRFANRHFSA-N 472.372 4.601 50 10 JJGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c1 2331325200 VVQJUVYPCUXOJZ-QFIPXVFZSA-N 489.553 4.941 50 10 JJGE Cc1cc(/C=C(\C#N)c2nc(N)nc(Nc3ccccc3)n2)c(C)n1-c1cccc([N+](=O)[O-])c1 24239657 BQAQEIXSMLOUIX-LDADJPATSA-N 452.478 4.577 50 10 JJGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1Nc1cc(Cl)cc(Cl)c1 40701073 MDHRHQQSKVPBHZ-UHFFFAOYSA-N 468.142 4.629 50 10 JJGE COc1ccc(Cc2nc3cc(C(=O)N/N=C\c4c(O)ccc5ccccc45)ccc3[nH]2)cc1 169925555 MCOVVRTZLJWBPP-NTFVMDSBSA-N 450.498 4.785 50 10 JJGE CC(=O)N(c1nc(/C=C\C(=O)NNC(=O)Cc2cccc3ccccc23)cs1)c1ccccc1F 206566681 CZRANPLWPVMWDC-YPKPFQOOSA-N 488.544 4.523 50 10 JJGE C[C@@H](NC(=O)/C(C#N)=C\N1CCN(c2cccc(Cl)c2)CC1)C12CC3CC(CC(C3)C1)C2 217053475 LTGZCCIOSUVTCS-JAMLXNPQSA-N 453.030 4.591 50 10 JJGE CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1I 303741443 NGQMGHJQJKNJQJ-UUAJXVIYSA-N 451.389 4.887 50 10 JJGE Oc1ccc(Br)cc1[C@H]1CN(Cc2ccccc2)C[C@@H]1CI 382728891 SPBPFHWNDVAYOY-YOEHRIQHSA-N 472.164 4.805 50 10 JJGE CO[C@@]1(CC(CBr)(CBr)c2ccc(Br)cc2)CCOC1 692462610 OCJUWSCRRCJWJY-OAHLLOKOSA-N 471.027 4.672 50 10 JJGE C[C@@H](Cl)C[C@H]1CCCN1C(=O)c1ccc(I)c(Br)c1 721625718 ZLNNSWYZGUCXKN-MWLCHTKSSA-N 456.549 4.676 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C2CCC1(CBr)CC2 722992155 MQHVAFAWPADDOX-UHFFFAOYSA-N 451.984 4.744 50 10 JJGE CC(C)Cc1ccc([C@@H](C)C(=O)NN=C2C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc32)cc1 1084128838 WWVKXKROWMJRQR-LJQANCHMSA-N 484.556 4.964 50 10 JJGE COc1cc(OC)c(C=NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1Br 1084557363 QUUXNRZRPJQCML-UHFFFAOYSA-N 488.382 4.749 50 10 JJGE O=C(Cc1ccccc1)Oc1ccccc1C=NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 1084578569 UFCCBGXZAXADSL-UHFFFAOYSA-N 477.520 4.851 50 10 JJGE CC(=O)N1CCc2c(NC(=O)NNc3cc(C(F)(F)F)ccc3Br)cccc21 1669124752 YXZFNIMGOXDEOY-UHFFFAOYSA-N 457.250 4.526 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)cc1O 1865680927 ABSYNBKUWCELOS-OAQYLSRUSA-N 456.889 4.822 50 10 JJGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865697714 ADIPLBXOIFKORD-RUZDIDTESA-N 492.535 4.846 50 10 JJGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(F)cc1F)C(C#N)=C(N)O2 1865702095 MMUGMQKLVVOBMQ-SFHVURJKSA-N 457.278 4.694 50 10 JJGE COc1c(Br)cc(Br)cc1/C=C(\C#N)c1cc2c(cc1[N+](=O)[O-])OCCO2 1872728808 VJKHMRKPGJXHMQ-NYYWCZLTSA-N 496.111 4.964 50 10 JJGE CN(C[C@H](Cl)COCc1ccccc1)S(=O)(=O)c1cc(Cl)c(Br)s1 1916365028 RYQXTFAGTZXGGU-LBPRGKRZSA-N 473.241 4.609 50 10 JJGE Cn1nc(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)c(Br)c1Cl 2001991686 MVAIVFIXOFHQAA-UHFFFAOYSA-N 475.612 4.796 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 2010828395 GEKMLLQTJPXXGU-GSHUGGBRSA-N 475.721 4.518 50 10 JJGE Cc1c(Br)sc([C@H](Br)[C@@H]2CO[C@H]3COC[C@@H]23)c1Br 2040327899 ZWSZAVDTVBGWIJ-PYHGXSLLSA-N 461.013 4.679 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CC[C@H](Br)CC12CC2 2050646350 LVMURJZVRVWLCR-ZETCQYMHSA-N 458.013 4.805 50 10 JJGE O=C(CBr)c1ccc(C(F)F)c(I)c1OC(F)(F)F 2060383794 GRYHUYHIRRETHT-UHFFFAOYSA-N 458.946 4.705 50 10 JJGE O=C(CBr)c1c(C(F)F)ccc(I)c1OC(F)(F)F 2060391650 BSEQRUSONCHZSC-UHFFFAOYSA-N 458.946 4.705 50 10 JJGE BrC[C@@H]1C[C@H]2CCC[C@@H]2N1c1ncc(I)cc1Br 2069537027 CCCFGRSNRIIWSL-QRTLGDNMSA-N 485.989 4.591 50 10 JJGE CCn1ncc(Br)c1COc1ccc(CBr)cc1Br 2094300630 ANEIRGUMFHTBNA-UHFFFAOYSA-N 452.972 4.902 50 10 JJGE O=C(c1csc(I)c1)N1CC2(CCC2)CC[C@@H]1CBr 2095704972 WTRXNWZURXCOLV-LLVKDONJSA-N 454.171 4.523 50 10 JJGE CC(C)[C@@H]1[C@H](Cl)CCN1C(=O)c1cc(Br)ccc1I 2126095021 SEMQGTMAMYEOBV-DGCLKSJQSA-N 456.549 4.532 50 10 JJGE O=C(c1ccc(Br)cc1I)N(CCCCl)C1CCC1 2142284948 JRDLDYHSXFVFRE-UHFFFAOYSA-N 456.549 4.677 50 10 JJGE CN([C@@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(F)c(Cl)c(CBr)c1 2179861724 LSCHRPDODNMRDH-MSOLQXFVSA-N 476.795 4.742 50 10 JJGE Cc1cc(C(=O)NC[C@@H]2CCC[C@@H](CBr)C2)ccc1I 2207106496 MHAUBRIMTWGZEM-CHWSQXEVSA-N 450.158 4.531 50 10 JJGE C[C@]1(CBr)C=CCCN1C(=O)c1ccc(I)c(Cl)c1 2264384683 JKWLRALWHFBXPD-CQSZACIVSA-N 454.533 4.500 50 10 JJGE CC1(C)C[C@H](Br)CN1C(=O)Cc1cc(Br)cc(Br)c1 2277923372 FNBSPDFWZMZLFZ-LBPRGKRZSA-N 454.000 4.529 50 10 JJGE CN(Cc1ccccc1I)c1cc(CBr)sc1[N+](=O)[O-] 2280271403 UNJGADRJJTVPIQ-UHFFFAOYSA-N 467.126 4.792 50 10 JJGE O=C(CSc1nc2ccccc2n1Cc1ccccc1)NN=CC=Cc1ccccc1[N+](=O)[O-] 2297459495 CLLYKSAPCHNZJF-UHFFFAOYSA-N 471.542 4.900 50 10 JJGE CCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C(C)=C(C#N)C1=O 2314611066 PPTPBOFXXZMJMQ-UHFFFAOYSA-N 450.922 4.930 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCCS1(=O)=O 2339651178 MZCFAOGMTQCTMK-SCZZXKLOSA-N 479.003 4.672 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H]2C[C@H](Cl)CC[C@H]21 2353893558 UCKYCVGQKIWMBF-DRCTWCGVSA-N 468.560 4.676 50 10 JJGE COc1cc(-c2cc(C(=O)NN=Cc3ccc(N(C)C)cc3)n[nH]2)ccc1OCc1ccc(C)cc1 2377970 UUZXDRYSLXAPAX-UHFFFAOYSA-N 483.572 4.803 50 10 JJGE N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2C(F)(F)F)[C@H]2CN(Cc3ccccc3)CC=C12 4398406 YNUFZUOVLAFMFA-GMAHTHKFSA-N 459.475 4.631 50 10 JJGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)CCC(=O)Nc1cc(C)ccc1C 14768590 JLTUQWCCPRECGR-RUZDIDTESA-N 473.573 4.694 50 10 JJGE COc1ccc(N(C(=O)CCl)[C@H](C(=O)NC2CCCCC2)c2cccnc2)cc1Cl 34847499 DHDPBDIJJRPQBH-NRFANRHFSA-N 450.366 4.506 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 38608396 DBHSLCIJKDFUBJ-LPYMAVHISA-N 453.454 4.956 50 10 JJGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 102973893 JXNAROPEQRYAJU-FNBPXTNNSA-N 488.500 4.799 50 10 JJGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1 206395016 POZVGZKLUGXRMP-UOAZCNQQSA-N 468.509 4.546 50 10 JJGE CCC(C)(C)c1ccc(OCCCC(=O)Oc2ccc(/C=C(/C#N)C(N)=O)cc2OC)cc1 213122113 ROHIIEDXJRDMRV-CYVLTUHYSA-N 450.535 4.540 50 10 JJGE CCCc1ccc(OCc2ccc(C(=O)NN=Cc3ccc(OC)c(OC)c3OC)o2)cc1 252597023 CNVWSWHXHHIUTB-UHFFFAOYSA-N 452.507 4.601 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3C)cc2OC)cc1 254875215 RASCLFKVYIVFBR-UHFFFAOYSA-N 476.529 4.541 50 10 JJGE FC1(F)C[C@@H]1OCCOc1c(Br)cc(Br)cc1CBr 689073225 YMGFZHIQRIQTQM-JTQLQIEISA-N 464.926 4.910 50 10 JJGE Fc1ccc(N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)c(CBr)c1Cl 705736366 YVNQFEWTKXEYGD-PMACEKPBSA-N 453.783 4.854 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccccc2Cl)c(-c2ccc(Cl)cc2)n1 782094448 HZZDHHNBGAWJLY-SFQUDFHCSA-N 494.338 4.859 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2cccc(C#Cc3ccccn3)c2)c(-c2ccccc2)n1 914468490 BKEZNWGGZNVSAQ-LYBHJNIJSA-N 468.520 4.804 50 10 JJGE O=C(NN=Cc1ccc(OCc2ccc(Br)cc2)cc1)c1ccc([N+](=O)[O-])cc1 1081085473 YKUMTHMEPFCHPB-UHFFFAOYSA-N 454.280 4.700 50 10 JJGE CC(=O)N(Cc1ccc(NC(=O)NNc2ccc(Br)cc2Cl)cc1)C1CC1 1476176785 CUEFGWRYWSYKFW-UHFFFAOYSA-N 451.752 4.762 50 10 JJGE C#CCC1(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)CCOCC1 1626209434 IICDAONIMMLFDE-UYRXBGFRSA-N 456.373 4.997 50 10 JJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)c1 1865693233 SYZOMLZDEYIVRJ-KRWDZBQOSA-N 476.842 4.780 50 10 JJGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865693750 YCFMDUKOKHQVIP-DEOSSOPVSA-N 458.562 4.736 50 10 JJGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695973 JIMHFMRQZWOAHJ-HXUWFJFHSA-N 495.377 4.828 50 10 JJGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706382 VIBXZQDIUFVWPB-GOSISDBHSA-N 456.289 4.868 50 10 JJGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865708282 SHIYWRKRXJFTKK-NRFANRHFSA-N 450.926 4.714 50 10 JJGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1OC 1865711212 SIXGUPHXTGSAOA-RUZDIDTESA-N 468.513 4.578 50 10 JJGE CSCC[C@H](NC(=O)c1nc(C(C)(C)C)n2ccccc12)C(=O)Nc1ccc(SC#N)cc1 1866876624 XCKPTRUKHPIJLA-SFHVURJKSA-N 481.647 4.695 50 10 JJGE CC(C)[C@@H]1[C@H](Br)CCN1C(=O)c1scc(Br)c1Br 2062180918 XBGKJXDHWKBKDP-GMSGAONNSA-N 460.029 4.907 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CC[C@H](Br)C(F)(F)CC1 2093621544 UAWBKFYVPQIRNT-ZETCQYMHSA-N 481.982 4.908 50 10 JJGE C=CC[C@](C)(CBr)CNC(=O)c1c(Br)cccc1Br 2137191312 HHGMGNVXWVIVDU-CQSZACIVSA-N 454.000 4.919 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@@H]2C[C@@H](Br)CC[C@H]21 2143977620 QGKWYVJYMODHIT-ISTVAULSSA-N 466.011 4.990 50 10 JJGE CN(c1ncc(C(F)(F)F)cc1I)[C@@H](CCBr)C(F)F 2178515264 KIUPPFSKUXLKRG-QMMMGPOBSA-N 473.021 4.560 50 10 JJGE CC(C)(C)[C@H]1[C@H](Cl)CCN1C(=O)c1cc(I)ccc1Br 2185112637 CYIKTBKZMRDZSG-CHWSQXEVSA-N 470.576 4.922 50 10 JJGE CCN(CCCl)CCC[C@@H](C)Nc1ncc(I)cc1Br 2204126950 SLFAOUJTIWUVDW-LLVKDONJSA-N 474.612 4.590 50 10 JJGE CCN(C(=O)c1cc(Br)ccc1Br)[C@@H]1CCC[C@H]1Br 2224417856 BRNMKWYUBAYGEZ-CHWSQXEVSA-N 454.000 4.990 50 10 JJGE O=C(NC[C@]12CCC[C@@]1(CBr)C2)c1ccc(Cl)c(I)c1 2283664930 KIZKAFJDEZSKEZ-LSDHHAIUSA-N 468.560 4.630 50 10 JJGE COCc1cc(Br)c([C@@H](Br)c2cscc2S(C)(=O)=O)s1 2288513873 PNCUBZMQZPULDU-NSHDSACASA-N 460.234 4.606 50 10 JJGE CC(=NNC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1ccc(Oc2ccccc2)cc1 2297635209 IDLNUIYMKBEDMS-UHFFFAOYSA-N 492.582 4.890 50 10 JJGE COC(=O)C(C#N)=Cc1cccc(OC(=O)COc2cc(C)c(Cl)c(C)c2Br)c1 2314770569 JJJQHYBKXFXVTL-UHFFFAOYSA-N 478.726 4.784 50 10 JJGE COc1ccc(OC)c(C=CC(=O)Nc2cccc(C(=O)Nc3ccc(SC#N)cc3)n2)c1 2321125819 ICZFSRACDRCEKH-UHFFFAOYSA-N 460.515 4.576 50 10 JJGE O=C(NN=Cc1cccc(OCc2ccc(Cl)cc2)c1)c1cc(-c2ccccc2)nc(O)n1 2323693313 DULLUFNFVDFHEY-UHFFFAOYSA-N 458.905 4.846 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@@H](Br)[C@H]2CC[C@H]21 2331940688 JYEBKQYIBYXDBY-HLUHBDAQSA-N 451.984 4.600 50 10 JJGE COC1CC2(C1)CC(O[C@@H](CI)c1cccc(Br)c1)C2 2361327790 PRXSJNVZQKYQAL-UFFJXHMVSA-N 451.142 4.899 50 10 JJGE CC[C@@]1(C)[C@@H](Br)CCN1c1ncc(C(F)(F)F)cc1I 2361986750 HYCVJNURKBGOGQ-JQWIXIFHSA-N 463.079 4.847 50 10 JJGE COc1cccc(COc2ccccc2C=NNC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)c1 2740560 FOCWUMXMMVNHDL-UHFFFAOYSA-N 474.948 4.936 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C)cc1 14025469 VTUDJLPJDDTBGS-UHFFFAOYSA-N 463.372 4.557 50 10 JJGE C/C(=N/NC(=O)CSc1cc(C)c(Br)cc1C)c1ccc(-n2ccnc2)cc1 33719973 VVPPWFVGRWMNEY-JLPGSUDCSA-N 457.397 4.884 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)c1 38687349 WDQLISGQXKQNIA-HSZRJFAPSA-N 462.889 4.795 50 10 JJGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)Nc1ccc(F)cc1 39858591 KZLHPJBFLIZSIU-SQFISAMPSA-N 460.852 4.825 50 10 JJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3)nc3ccccn3c2=O)cc1 39992882 QCWZYCAVNPNWQQ-CAPFRKAQSA-N 494.507 4.518 50 10 JJGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccccc2)c(Br)c1 58886975 QSPWTVMQPZBJPQ-JMTCZITHSA-N 467.363 4.992 50 10 JJGE COc1cc2ccccc2cc1C(=O)N/N=C1/C(=O)N(Cc2ccccc2F)c2ccccc21 59146746 SOVVZVNKWCUGHK-XLVZBRSZSA-N 453.473 4.668 50 10 JJGE O=C(N[C@H](CBr)Cc1ccccc1)c1cc(Br)ccc1Br 161219551 DZQKAZHOZVCVGW-ZDUSSCGKSA-N 476.006 4.948 50 10 JJGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(C)cc2C(C)(C)C)c(OC)c1 206406178 GPHJVAORVGOTHC-ZHZULCJRSA-N 464.562 4.719 50 10 JJGE CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1 206433347 LXHCQEOZFMZNBZ-SHWPBCIMSA-N 486.524 4.919 50 10 JJGE O=C(NCc1cccc(CCl)c1)c1cc(Br)ccc1I 236033314 ATHFKFUCHLGGIL-UHFFFAOYSA-N 464.528 4.723 50 10 JJGE CCCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(OCC)cc3)c(OC)c2)cc1 254310562 VPCBGWFOMSRREJ-UHFFFAOYSA-N 476.529 4.866 50 10 JJGE CC(=NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1)c1ccc2c(c1)OCO2 254430090 ORLHASOLZXIJTD-UHFFFAOYSA-N 463.493 4.883 50 10 JJGE O=S1(=O)CCCC[C@H]1[C@H](Br)c1scc(C(F)(F)F)c1Br 380120940 KUMDEOWUQWZOPO-CBAPKCEASA-N 456.143 4.933 50 10 JJGE O=C(NC[C@H]1CCCCO1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238924 YRBMKKJNNIBVJG-VQIMIIECSA-N 474.932 4.765 50 10 JJGE C[C@H]1CCCCN1CCCCNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 920471317 CWIUVXOKGBMIIO-OZNYCYRCSA-N 479.028 4.795 50 10 JJGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc(CCCc3ccccc3)c2)cc1 1199604672 GKSFWPZWEZCSSG-HXUWFJFHSA-N 459.546 4.685 50 10 JJGE C=C(C)Cn1c(SCC(=O)NNc2cc(C(F)(F)F)ccc2F)nnc1-c1ccco1 1556051966 YMGQDSDTBRQVFH-UHFFFAOYSA-N 455.437 4.508 50 10 JJGE Cc1ccc([N+](=O)[O-])cc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 1614640470 ZCORGIAYUUXTSC-LPHOPBHVSA-N 480.302 4.690 50 10 JJGE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NNc1cccc(C)n1 1641057146 IMYJNXYMUBMZJA-XMMPIXPASA-N 456.546 4.707 50 10 JJGE CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1 1865683086 FSIAIJBUFAJSSR-KRWDZBQOSA-N 459.859 4.829 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)c1OC 1865701332 SKRYXXVAYYUIMC-INIZCTEOSA-N 476.842 4.780 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)c(OC)c1 1865708099 NYWNIKURFRCJFX-XMMPIXPASA-N 482.515 4.973 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1865712806 IPLRILCKNNUICG-HNNXBMFYSA-N 461.787 4.671 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc(OC)c1O 1865714311 GWSYRISMVKEMTB-XMMPIXPASA-N 494.551 4.848 50 10 JJGE COc1cc(-c2csc(/C(C#N)=C(\O)c3ccc(NS(C)(=O)=O)cc3)n2)c(OC)cc1Cl 1872754777 INXFNGOUCJSNGC-HKWRFOASSA-N 491.978 4.802 50 10 JJGE O=S(=O)(c1ccc(F)cc1Br)N(CCCBr)Cc1ccccc1 1914653223 PKUZIPYDGATRJG-UHFFFAOYSA-N 465.182 4.564 50 10 JJGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)c1ccccc1Br 1915766694 GJQVTDUWBXYAPJ-UHFFFAOYSA-N 461.219 4.814 50 10 JJGE CN(C[C@@H](Br)COCc1ccccc1)c1ccnc2cc(Br)cnc12 1916332855 LRXQDHWSTGTEOT-MRXNPFEDSA-N 465.189 4.809 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2143971454 GAFYVFQBRYXBMT-BFVZDQMLSA-N 468.560 4.723 50 10 JJGE Cc1cccc(C(=O)N(C)C2CCC(CBr)CC2)c1I 2171110224 ASCPHZODQVJKEI-UHFFFAOYSA-N 450.158 4.625 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@H](Br)C2(CCCC2)C1 2174382440 UGVHDJLYWQOSRM-LBPRGKRZSA-N 466.011 4.991 50 10 JJGE COCC(COC)CC(CBr)(CBr)c1ccc(Br)cc1 2199389510 LMMSAVPHYLDENY-UHFFFAOYSA-N 473.043 4.776 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CN(CCCCCI)C2CC2)CC1 2214704557 GJIPWUZZAJJOAX-UHFFFAOYSA-N 450.405 4.703 50 10 JJGE CCN(C(=O)c1cc(Br)cc(Br)c1)[C@H]1CCC[C@@H]1Br 2224419906 JIUDDIQISDXWPP-STQMWFEESA-N 454.000 4.990 50 10 JJGE C[C@H]1[C@@H](Br)C[C@@H](C)CN1C(=O)c1cc(Br)ccc1Br 2227594456 LXWIRRRZJIMIGO-ZDMBXUJBSA-N 454.000 4.846 50 10 JJGE Cc1cc2nc(CCl)n(-c3ccc(Br)cc3I)c2cn1 2240007455 SBSXBMSJAWJFRE-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE Cc1ccc(I)c(C(=O)NC2(CBr)CCC(C)CC2)c1 2240924358 UEETVGMYCPLEFK-UHFFFAOYSA-N 450.158 4.673 50 10 JJGE C[C@]1(CBr)C=CCCN1C(=O)c1c(Br)cccc1Br 2264384636 IZFAZXUUQXSVCT-CQSZACIVSA-N 451.984 4.767 50 10 JJGE CC(C)c1cc(Br)cc(C(=O)N2C[C@H](Br)[C@@H](Br)C2)c1 2266015838 CKDKAPYZNWDYLC-STQMWFEESA-N 454.000 4.555 50 10 JJGE O=C(NCC1(CBr)CC(F)(F)C1)c1csc(Br)c1Br 2266902726 GVPVLVWXRHITML-UHFFFAOYSA-N 481.982 4.813 50 10 JJGE CC1(C)C[C@@H](Br)C[C@H](NC(=O)c2c(F)cccc2I)C1 2282791843 KFALQFAFUMCYLH-UWVGGRQHSA-N 454.121 4.502 50 10 JJGE O=C(Nc1ccc(F)c(CBr)c1)c1c(F)cccc1I 2282805267 DUROLHTUQXWYKS-UHFFFAOYSA-N 452.036 4.717 50 10 JJGE COc1cc([C@H](Br)c2ccc(OC)c(I)c2)ccc1F 2285001158 WFPRHEYKDRUQCR-OAHLLOKOSA-N 451.073 4.932 50 10 JJGE CC1(C)[C@H]2CO[C@@]1(CO[C@H](CI)c1cccc(Br)c1)C2 2289249972 XHNMCRUNFIQBKW-XNRPHZJLSA-N 451.142 4.757 50 10 JJGE N#CC(=Cc1cccc(OC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1)c1ccccc1 2320506568 MKJSHKYTWKLODV-UHFFFAOYSA-N 458.539 4.754 50 10 JJGE FC12COC(COc3c(Br)cc(CBr)cc3Br)(C1)C2 2352981123 UFSIMTRHFRMCMU-UHFFFAOYSA-N 458.947 4.756 50 10 JJGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360424462 SRLJLACJKUGDJP-HSJIAEGWSA-N 466.981 4.622 50 10 JJGE CC1(C)COC[C@H]1CO[C@](C)(CI)c1ccccc1Br 2364410409 ZSJXJVGUOKRXRS-BLLLJJGKSA-N 453.158 4.789 50 10 JJGE CC(C)Oc1ccc(C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)cc1Br 14658779 RBDYLSQCBZHLRT-UHFFFAOYSA-N 467.363 4.829 50 10 JJGE Cc1ccc2nc(Nc3ncnc(NNC(=O)C(c4ccccc4)c4ccccc4)c3N)sc2c1 40783582 APWGRHINDSADDC-UHFFFAOYSA-N 481.585 4.996 50 10 JJGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2 40823904 BJXVCJVXOWXUCP-OVVQPSECSA-N 454.889 4.608 50 10 JJGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3ccc(Br)s3)cc2[nH]1 109884136 XZRPQYHUFQMERX-LLVKDONJSA-N 466.980 4.927 50 10 JJGE Cc1cccc(C)c1OCC(=O)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 254884195 OGIOHSRKNCGUHT-UHFFFAOYSA-N 463.537 4.903 50 10 JJGE CCCc1nn(C)c2c1nc(CCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705597927 ACYHPUBFSATBPT-UHFFFAOYSA-N 478.040 4.933 50 10 JJGE BrCc1cc(Br)ccc1N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 705933963 NOCFKWPEXVPSDY-QZTJIDSGSA-N 450.218 4.912 50 10 JJGE Fc1cc2c(cc1I)nc(CCl)n2C[C@@H]1CCN1Cc1ccccc1 716240969 XASDKGPGMZMTJM-AWEZNQCLSA-N 469.729 4.793 50 10 JJGE COc1ccc(OC)c(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c1 725434202 MVTCVRBKMIIQCD-UHFFFAOYSA-N 489.359 4.507 50 10 JJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(C(C)C)cc2)c2ccccc2F)cc1 1084202012 GXIBJDPEAPJMLW-UHFFFAOYSA-N 467.566 4.603 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](CBr)C1 1614642055 KMXVOHNMTGSZLR-SMDDNHRTSA-N 464.154 4.703 50 10 JJGE CCCc1nn(C)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865700951 IEYSMUBYJLCVGF-QFIPXVFZSA-N 464.953 4.832 50 10 JJGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 1865708758 FMJUYSMIWAJQLL-DEOSSOPVSA-N 464.525 4.983 50 10 JJGE C[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866836040 XDTITZRROSWGLU-KOSHJBKYSA-N 461.562 4.944 50 10 JJGE CCCC[C@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1F)C(=O)Nc1ccc(SC#N)cc1 1866918808 MZZIBZBEDKLDMS-GOTSBHOMSA-N 468.598 4.677 50 10 JJGE O=S(=O)(c1ccccc1Br)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915169916 MHYPAAMMMQNMFP-KRWDZBQOSA-N 473.230 4.814 50 10 JJGE O=S1(=O)CCC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923038721 KIDIBKVBFWXXSH-NJGYIYPDSA-N 487.460 4.940 50 10 JJGE O=C(Nc1ccc(Cl)c(I)c1Cl)N1CCC(Br)CC1 2105775782 XOPPQPHDWPKKHL-UHFFFAOYSA-N 477.955 4.989 50 10 JJGE O=C(N[C@H](CCl)c1cccs1)c1cc(I)ccc1Br 2119048511 UVTVOLPCGSFPKA-LLVKDONJSA-N 470.557 4.825 50 10 JJGE CN(CCOCc1ccccc1)S(=O)(=O)c1c(CBr)sc2ccccc12 2123247712 SLEHBGUGTXLSRB-UHFFFAOYSA-N 454.411 4.634 50 10 JJGE C=CC[C@@](C)(CBr)CNC(=O)c1c(Br)cccc1Br 2137191311 HHGMGNVXWVIVDU-AWEZNQCLSA-N 454.000 4.919 50 10 JJGE CC[C@H]1CN(C(=O)c2cc(Br)cc(Br)c2)C[C@H]1CBr 2140788262 PORNJHDIISWBMG-GXSJLCMTSA-N 454.000 4.705 50 10 JJGE CC1(C)[C@@H](NC(=O)c2ccc(Br)cc2Br)CC[C@H]1Br 2142133260 GHAQUZBWPCTXRD-NEPJUHHUSA-N 454.000 4.894 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CC[C@@H](Br)C(F)(F)CC1 2150020309 ZOTHKFHGUFJYHU-LLVKDONJSA-N 478.502 4.579 50 10 JJGE O=S(=O)(NCC[C@H]1CCCC[C@H]1Br)c1cc(Cl)c(Br)s1 2179630794 XMICOQQTZLQFBA-RKDXNWHRSA-N 465.660 4.786 50 10 JJGE C[C@H](CO[C@@H](CI)c1ccc(Br)cc1)N1CCCCC1 2186736166 QSLMZAYOIZCOHD-CJNGLKHVSA-N 452.174 4.816 50 10 JJGE Brc1ccccc1[C@H](CI)OC[C@H]1C[C@]12CCCOC2 2198375906 CFKIFMBWCMLNAN-KCXAZCMYSA-N 451.142 4.759 50 10 JJGE O=C(NC[C@H]1CCCC[C@H](Cl)C1)c1ccc(Br)cc1I 2207269607 UOJRXCUPXYDZOH-JQWIXIFHSA-N 470.576 4.971 50 10 JJGE O=C(NC[C@H]1C[C@@H](Cl)C12CCC2)c1ccc(Br)cc1I 2207270302 AIYKLJHARROCLI-NOZJJQNGSA-N 468.560 4.581 50 10 JJGE C[C@H]1C[C@@H](Br)CCN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295309942 PWAJTYOUYRHZAW-JQWIXIFHSA-N 468.027 4.776 50 10 JJGE COc1ccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc1OS(=O)(=O)c1ccccc1 2297551868 CSKBIZISCZHGHQ-UHFFFAOYSA-N 468.918 4.662 50 10 JJGE C[C@@H](Br)[C@H]1CCCN1Cc1ccc(I)c(Br)c1 2306217672 RZHROHRAJPALPF-NOZJJQNGSA-N 472.990 4.802 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(C)cc1 2313568268 QVXATAKUCJNEJK-UHFFFAOYSA-N 490.341 4.573 50 10 JJGE CCN(Cc1ccccc1)c1ccc(C=NNC(=O)c2cc(-c3cccs3)nc(O)n2)cc1 2323700617 NSFLBAQESOTKBO-UHFFFAOYSA-N 457.559 4.701 50 10 JJGE COc1ccc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1OCc1cccc(Cl)c1 2328799209 DRNRDVFPRUVQOD-QFIPXVFZSA-N 490.000 4.927 50 10 JJGE CC(C)[C@H]1C[C@H](Cl)CN1C(=O)c1ccc(I)c(Br)c1 2344750688 ZFHNGJHWTBCKPD-GXFFZTMASA-N 456.549 4.532 50 10 JJGE COc1cc(/C=C(/C#N)c2nn(-c3ccccc3)c(-n3cccc3)c2C#N)cc(OC)c1OC 12339067 DEPONRWPBNMEAZ-UYRXBGFRSA-N 451.486 4.625 50 10 JJGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OC)CC[C@@H](C)C3)cc1OC 33853834 VJIJCORJUQPNJL-VQCBNXJZSA-N 454.548 4.612 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@H]1c1cccc2ccccc12 38688539 CCRDYMHBYAGHCS-KAYWLYCHSA-N 476.488 4.803 50 10 JJGE COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)c1 39858905 YXDVPMIFNWKDJR-RGEXLXHISA-N 466.497 4.658 50 10 JJGE CCOc1cc(/C=N/NC(=O)CSc2nnc(N)s2)ccc1OCc1ccc(C(C)(C)C)cc1 40947211 MXYKNMADVFYHPO-LGJNPRDNSA-N 499.662 4.638 50 10 JJGE CC1(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1nc3ccccc3nc12 101105478 RSMVXJSDJIKCGU-PSLXWICFSA-N 455.345 4.553 50 10 JJGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242396 XIDPVJMLZAQYRO-NLTRVXJZSA-N 487.581 4.729 50 10 JJGE O=S(=O)(Nc1c(Br)cccc1Br)c1ccc(CBr)cc1 232137536 RCXVVHAXTWUVOT-UHFFFAOYSA-N 484.007 4.907 50 10 JJGE Cc1cn(-c2ccccc2)nc1C=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 252597723 CUHHEIYHBORWNB-UHFFFAOYSA-N 493.596 4.671 50 10 JJGE CCn1c(SCC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)nnc1-c1ccccc1 254430106 OZUUOJHTUVGMPE-UHFFFAOYSA-N 471.586 4.786 50 10 JJGE COc1ccc(C(=O)NN=Cc2c(OC(=O)c3ccc(OC)c(OC)c3)ccc3ccccc23)cc1 254800475 TZGZBSNJJGDJFG-UHFFFAOYSA-N 484.508 4.849 50 10 JJGE Cc1cccc(C(=O)N2CCCC[C@@H]2[C@H](C)CBr)c1I 696711029 JRGPBPCIUUIIIR-TZMCWYRMSA-N 450.158 4.625 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CCCC[C@H](CBr)C1 696725123 YRUOAIZNSLIYDR-MRVPVSSYSA-N 460.029 4.910 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CCCC[C@H](CBr)C1 696787414 WKFRQBCXGJISAU-SNVBAGLBSA-N 454.000 4.849 50 10 JJGE O=S(=O)(N[C@H](CBr)C1CCC1)c1c(Cl)cc(Br)cc1Cl 717583480 NVPVIYNKBOKRJV-LLVKDONJSA-N 466.022 4.598 50 10 JJGE Cc1cccc(C(=O)N[C@@H](CCBr)C2CCCC2)c1I 725038745 YLCXALPELPKOBT-AWEZNQCLSA-N 450.158 4.673 50 10 JJGE COC(=O)c1sc2ccccc2c1CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 728283921 BMAMEUHYBLYOAZ-RGEXLXHISA-N 495.564 4.688 50 10 JJGE COC(=O)c1ccc(COC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 782094385 FKZGTBJMHRHJMU-MOSHPQCFSA-N 474.904 4.554 50 10 JJGE Cc1ccc(NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1C 853446954 HZQRMMQBCOMVET-QCBCRBAMSA-N 467.529 4.558 50 10 JJGE COc1ccc(Br)cc1C=NNC(=O)CN(Cc1ccccc1)Cc1ccccc1 1083931547 MFFQGLABCXTALA-UHFFFAOYSA-N 466.379 4.610 50 10 JJGE Cc1nc2ccc(Br)cn2c1C(=O)NN=Cc1ccccc1OCc1ccccc1 1083986924 APTBBMJPBICNQA-UHFFFAOYSA-N 463.335 4.748 50 10 JJGE O=C(COc1ccc2ccccc2c1Br)NN=Cc1ccccc1Br 1084581037 GLCUYOZBRIJWQB-UHFFFAOYSA-N 462.141 4.894 50 10 JJGE Cc1ccc(-n2c(SCC(=O)/C(C#N)=C3/Nc4ccccc4N3C)nc3ccccc3c2=O)cc1C 1087641295 YICYLFMRGMBJCJ-QLYXXIJNSA-N 493.592 4.961 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865698467 UTFVNTAFDJCKNT-VWLOTQADSA-N 492.535 4.596 50 10 JJGE CCCc1nn(CCC)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701255 QLEFEMOFYNJNNL-OAHLLOKOSA-N 496.203 4.694 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1 1865713434 ZDZVHJMMWDQGSJ-IBGZPJMESA-N 454.452 4.794 50 10 JJGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccccc4)cs3)CC2=O)cc1 1872747844 VYGKKPFGVOZMFV-HBWVRPOVSA-N 459.527 4.833 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC[C@@H]1C[C@H]1C1CCCCC1 1910841085 ROGLTSOQRKKWCX-BXWFABGCSA-N 451.389 4.938 50 10 JJGE O=S(=O)(c1ccc(Br)cc1F)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915169135 DWWXBVDXROVNPR-QGZVFWFLSA-N 491.220 4.953 50 10 JJGE CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(CCl)c(Br)c2)CO1 1915480646 KMKOFCVEGCECNJ-QGZVFWFLSA-N 472.832 4.946 50 10 JJGE C[C@@H](Br)[C@H]1CCCCN1c1ncc(I)cc1Br 2015761937 DZRQXHBGTSOYNY-LDYMZIIASA-N 473.978 4.591 50 10 JJGE O=C(c1scc(Br)c1Br)N1CC2(CC2)C[C@@H]1CBr 2037820509 OYQARAAKJWWMPF-SSDOTTSWSA-N 458.013 4.663 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CC2(CC(CBr)C2)C1 2066458048 JAFRTLPBMWXYIH-UHFFFAOYSA-N 458.013 4.520 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@]12C[C@@H](CBr)C2 2125793967 SZEPHSCKMXOBBO-KMHCFJFGSA-N 451.984 4.601 50 10 JJGE CC(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1cccc(Br)c1Br 2126093576 OCSLEMDRFNDOKD-WCQYABFASA-N 454.000 4.846 50 10 JJGE C[C@@H](Br)C12CCC(CC1)N2C(=O)c1ccc(I)c(Cl)c1 2153385450 FMCTUWIJWPXABS-IWPPJYEWSA-N 468.560 4.865 50 10 JJGE CCCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(CBr)s1 2179808457 IKXYOFWYMSDHFP-UHFFFAOYSA-N 471.486 4.708 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](OCc2ccccc2C(F)(F)F)[C@H](I)C1 2220471564 IHIWOBPDURVKNO-KGLIPLIRSA-N 471.257 4.645 50 10 JJGE CS(=O)(=O)C1([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)CCC1 2288359196 YBICPOYUGPGJCJ-LLVKDONJSA-N 452.542 4.737 50 10 JJGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)N2CCCCC2)ccc1Cl 2296720347 VACFRJRMLFPMJB-UHFFFAOYSA-N 462.937 4.677 50 10 JJGE COc1ccc(NC=C(C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)c(OC)c1 2296751928 SBNPYCUNHSAAHB-UHFFFAOYSA-N 476.470 4.818 50 10 JJGE COc1ccc(CC(=O)Oc2ccc(C=C(C#N)c3ccccc3OC)cc2OC)cc1OC 2320506990 WHGNAJZVZOIRFT-UHFFFAOYSA-N 459.498 4.933 50 10 JJGE Cc1cc(Br)ccc1OCC(=O)N/N=C/c1ccccc1OCc1ccccc1 12493613 LKKZCGZNNZGCKA-AFUMVMLFSA-N 453.336 4.866 50 10 JJGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2cccc3ccccc23)cc1 14022106 ZNFKPPVLHQFCIE-NTCAYCPXSA-N 461.587 4.614 50 10 JJGE COc1ccc(OC)c(/C=N/NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c1Br 20551647 DENWLOXGYJZKQS-KGWVJBCKSA-N 450.160 4.508 50 10 JJGE C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1cccc(/C=C(/C#N)C(=O)N[C@H]2CCCC[C@H]2C)c1 35242048 YEXSDQJWSVTYMB-IDZFLKPRSA-N 458.606 4.890 50 10 JJGE N#C/C(=C\c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)C(=O)NCCCn1ccnc1 35447111 IKIOPDAPJMQUSE-ZVHZXABRSA-N 480.616 4.650 50 10 JJGE CC(C)c1ccc(Oc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2N)cc1 40727493 NZTPRNASULTHNI-UHFFFAOYSA-N 462.337 4.803 50 10 JJGE N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 45295717 KUJAJIDUKMETMA-PXLXIMEGSA-N 462.509 4.915 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCC)c(Br)c2)cc1 58893822 AZAXFQCSNXSHGD-RIMPEIONSA-N 483.790 4.864 50 10 JJGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2cc(C)ccc2C(C)C)c(OCC)c1 206289709 KWYAXCCKEJEJGX-MOSHPQCFSA-N 451.519 4.972 50 10 JJGE Cc1cc(/C=C(/C#N)c2nc(N)nc(Nc3ccccc3)n2)c(C)n1-c1cccc([N+](=O)[O-])c1 209435651 BQAQEIXSMLOUIX-PDGQHHTCSA-N 452.478 4.577 50 10 JJGE O=C(NCCCCCI)c1cc(C(F)(F)F)ccc1Br 229224021 CGAVMJMGDZDUAT-UHFFFAOYSA-N 464.063 4.803 50 10 JJGE O=C(N[C@H]1CCCC[C@@H]1CBr)c1cc(Br)ccc1Br 231618094 YGMMETOICYOZRE-RNCFNFMXSA-N 454.000 4.895 50 10 JJGE O=c1[nH]c2ccc([C@H](Br)c3ccc(I)c(Cl)c3)cc2o1 232343310 MVFWYSLKVUAINV-CYBMUJFWSA-N 464.484 4.863 50 10 JJGE CCN(CC)c1ccc(C=NNC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)c(OC)c1 254617652 SCGKCYOYNXXSTL-UHFFFAOYSA-N 467.573 4.947 50 10 JJGE COc1ccc(OCC(=O)NN=Cc2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 254818695 DCSCVYQHOOQVDN-UHFFFAOYSA-N 468.509 4.905 50 10 JJGE C[C@@H]1C[C@H](CBr)CN(C(=O)c2cc(Br)cc(Br)c2)C1 398811514 PNDCSYNRFJLAFC-NXEZZACHSA-N 454.000 4.705 50 10 JJGE COCc1cc(Br)c([C@@H](Br)c2c(Br)cnn2C)s1 688093329 OZIFISZFFAHAHW-VIFPVBQESA-N 459.001 4.637 50 10 JJGE O=C1Cc2cc([C@@H](Br)c3ncsc3Br)c(Br)cc2N1 698654409 OWDJAMLYLJOSBW-SNVBAGLBSA-N 466.980 4.647 50 10 JJGE C[C@@H]1CCCN(C(=O)c2cc(Br)ccc2I)[C@H]1CCCl 700358371 HRKKODNXPFBSCC-YGRLFVJLSA-N 470.576 4.923 50 10 JJGE O=C(NN=Cc1cccc(OCc2ccc(F)cc2)c1)C(=O)Nc1cccc(Cl)c1Cl 1083885905 OUAXHOSKNPYLCW-UHFFFAOYSA-N 460.292 4.800 50 10 JJGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 1084084618 VSVVVYHLWWMZHL-VGOFMYFVSA-N 482.147 4.925 50 10 JJGE O=C(NN=C(CSc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1)c1ccccc1O 1084300304 VDPKZLPENBARDS-UHFFFAOYSA-N 464.528 4.837 50 10 JJGE C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084417724 WMVYBBWDFRHJPT-ILSIFQBBSA-N 478.505 4.851 50 10 JJGE O=[N+]([O-])c1cc(Cl)ccc1[C@H]1CN(Cc2ccccc2)C[C@H]1CI 1614629964 NMESQCPXFKJFRD-PBHICJAKSA-N 456.711 4.899 50 10 JJGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccccc3Br)c(C)c21 1772749503 NZZNEMODXJJYLO-UHFFFAOYSA-N 470.323 4.975 50 10 JJGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(OCC)c1)C(C#N)=C(N)O2 1865681779 WVCKFYHVBPLAFT-OAQYLSRUSA-N 450.926 4.801 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1OCC 1865689326 PUMIBZJIDLTXSI-HSZRJFAPSA-N 464.953 4.909 50 10 JJGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865707565 ZTDBDDPSEZSLGL-OAQYLSRUSA-N 450.926 4.714 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)c(OC)c3)n2)cc1OC 1872745262 FAGUCFQJPAJJMK-QNGOZBTKSA-N 454.504 4.803 50 10 JJGE O[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H]1Br 1893037050 ZQFLFMBYZKKTLF-XCXIMHFFSA-N 469.818 4.852 50 10 JJGE Clc1ccc(I)cc1CNCCCCCI 1905026712 NBHWBSYQMKBEDZ-UHFFFAOYSA-N 463.528 4.640 50 10 JJGE CC(C)(C)N(CCCBr)c1ncc(I)cc1Br 2015761753 BFPQSLSZLLKBJN-UHFFFAOYSA-N 475.994 4.839 50 10 JJGE Cc1cc(Br)c(C(=O)N(C)C[C@H]2C[C@@H]2Br)cc1NC(=O)OC(C)(C)C 2076221470 XIKWDKQBEHFYET-YPMHNXCESA-N 476.209 4.960 50 10 JJGE CSCC[C@@H](Br)CCNC(=O)c1cc(Br)cc(Br)c1 2090385458 QQHKGQKFZWETNA-JTQLQIEISA-N 474.056 4.848 50 10 JJGE COc1ccc(Br)cc1[C@@H](Br)c1c(Br)nn(C)c1C 2131589316 DFXADOFOXWEJFX-GFCCVEGCSA-N 452.972 4.746 50 10 JJGE CC1(C)CCN(C(=O)c2ccc(I)c(Cl)c2)C[C@@H]1CBr 2148650074 FUPGDTHSKUKSBH-NSHDSACASA-N 470.576 4.828 50 10 JJGE CCCn1cnnc1COc1c(Br)cc(CBr)cc1Br 2153667217 OYWXJFRVBQBQHR-UHFFFAOYSA-N 467.987 4.687 50 10 JJGE O=C(NCC[C@@H]1CCCC[C@H]1Br)c1ccc(F)cc1I 2179634091 DBHDWSOTMCEDOH-GXFFZTMASA-N 454.121 4.504 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1CC[S@@](=O)(=NCc2ccc(CBr)cc2)C1(C)C 2182855392 PTUGHVOBYKHPEP-CRYYWNKWSA-N 459.450 4.873 50 10 JJGE CC(C)[S@@](=O)(=NCc1ccc(CBr)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2183215510 JEWKRCKKEZNAJM-MYUZEXMDSA-N 459.450 4.967 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CCCCCI)CC2)C1 2220222243 ICZCBQILERRERQ-SFHVURJKSA-N 464.432 4.951 50 10 JJGE C[C@H]1[C@H](Br)C[C@@H](C)CN1C(=O)c1csc(Br)c1Br 2220346521 ZBEYDWCGNLESCA-BKPPORCPSA-N 460.029 4.907 50 10 JJGE CC1(C)CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@@H]1CCBr 2238947002 GSRVCSUQYWVVMH-QMMMGPOBSA-N 465.660 4.596 50 10 JJGE CC1(C)[C@@H](Br)CCCN1C(=O)c1ccc(Cl)c(I)c1 2268352006 YOHXWTFNXYTETL-LBPRGKRZSA-N 456.549 4.723 50 10 JJGE C[C@@H]1C[C@@H](C(F)(F)F)N(CC(C)(C)CI)CCN1C(=O)OC(C)(C)C 2326669885 QZGODPHSWRVPGE-OLZOCXBDSA-N 478.337 4.710 50 10 JJGE CC[C@]1(C)[C@H](Br)CCN1C(=O)c1cc(Cl)ccc1I 2336763278 ZCPIWFCREVVSDG-TZMCWYRMSA-N 456.549 4.723 50 10 JJGE Cc1nc(COc2ccccc2/C=C/C(=O)NNC(=O)Cc2cccc3ccccc23)cs1 9894861 ZKDOSOOTPGHXBZ-BUHFOSPRSA-N 457.555 4.587 50 10 JJGE Cc1cc(OCC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)ccc1Br 12484953 CPXXERVOJGPJDV-AFUMVMLFSA-N 453.336 4.866 50 10 JJGE C/C(=N/NC(=O)[C@@]1(C)CC1(Br)Br)c1ccc(NC(=O)c2ccc(C)o2)cc1 13138466 FSSZNWHPUQULNW-OMMIQNFISA-N 497.187 4.577 50 10 JJGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 13980344 FBXLCQDJAPLZCR-GOSISDBHSA-N 459.546 4.601 50 10 JJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(OCCC(C)C)c2)cc1 14644603 VSTNXUDQINRABL-UHFFFAOYSA-N 459.546 4.747 50 10 JJGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(\C#N)C(=O)NCCc2ccccc2)cc1 16739724 AHGIQEFSNIYXEF-NJEMLTPYSA-N 467.594 4.780 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@@H]1c1ccc(Br)cc1 38651588 OSKROBSXJVTUHY-QHCPKHFHSA-N 477.314 4.652 50 10 JJGE CCOC(=O)/C(C#N)=C1/S[C@H](Cc2ccccc2C)C(=O)N1c1ccc(Br)cc1 102974655 NEONALXJMRCECY-AZZGVMCLSA-N 471.376 4.747 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H]1CBr)c1cc(Br)ccc1Br 161227810 HVOOCCOLHNNOMH-ZJUUUORDSA-N 454.000 4.753 50 10 JJGE CC(C)(C)[C@H](CCBr)NC(=O)c1ccc(I)c(Cl)c1 231163416 AWPOVLQELGCWRB-LBPRGKRZSA-N 458.565 4.874 50 10 JJGE C=CCc1cccc(C=NNC(=O)CNc2c(Br)cc(C)cc2Br)c1O 254441718 AVAIQDLVPDRESP-UHFFFAOYSA-N 481.188 4.516 50 10 JJGE CC[C@@H](Nc1ccc(I)cc1C)C(=O)NN=Cc1cccc(Cl)c1 254556744 MQWNGJNEDGDFCI-MRXNPFEDSA-N 455.727 4.594 50 10 JJGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)ccc1O 254733363 VSYAWMFKMQHYKY-UHFFFAOYSA-N 487.585 4.508 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@@]1(C)CBr 703736562 VJMSVMFMXABGON-YMTOWFKASA-N 454.000 4.705 50 10 JJGE CC(=O)N(c1ccc(F)cc1)c1nc(C=NNC(=O)[C@H](C)Nc2nc3ccccc3s2)cs1 917544468 HGBTZKADOPQUKH-ZDUSSCGKSA-N 482.566 4.527 50 10 JJGE NNC(=O)c1cc(Br)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 953077411 FDQFBSKJLWKVMM-UHFFFAOYSA-N 468.960 4.701 50 10 JJGE O=C(NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1084341791 NQPMGPFLSKLACI-UHFFFAOYSA-N 480.786 4.616 50 10 JJGE COc1cccc(C(=O)NCC(=NNC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc2)c1 1088739812 YVUMQJZFGYPVGQ-UHFFFAOYSA-N 486.450 4.550 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)cc(Br)c1O 1865687835 BEDKKCNHKFYJHU-HXUWFJFHSA-N 495.377 4.828 50 10 JJGE CC[C@](C)(NC(=O)Cc1nc(-c2ccc(C)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866651207 AMEJFKQERADBJK-VWLOTQADSA-N 462.575 4.998 50 10 JJGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3cc(OC)c(OCc4ccccc4)c(OC)c3)nc2c1 1872728529 HCTCGHOQYIVIEQ-RGVLZGJSSA-N 497.507 4.782 50 10 JJGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)CC1=O 1872753336 RVKFDPYRUNODBJ-YUCJCZDXSA-N 463.490 4.582 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)c(C)c1C 1872753536 BVQIZMSGARSKES-GTOLFZDISA-N 459.527 4.913 50 10 JJGE CN(C[C@H](Cl)COCc1ccccc1)C(=O)c1cc(Cl)ccc1I 1916354391 JEVRBAKGSYEFSD-HNNXBMFYSA-N 478.157 4.841 50 10 JJGE CN(Cc1ncc(Br)cc1Cl)C[C@H](Br)COCc1ccccc1 1986201592 PCFNEZLZMWONCS-HNNXBMFYSA-N 462.613 4.910 50 10 JJGE Cc1c(Br)sc([C@H](Br)C2(S(C)(=O)=O)CC2)c1Br 2002551772 ORXVYSMOAJDWEN-QMMMGPOBSA-N 467.042 4.595 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1[C@H]2CC[C@@H]1C[C@@H](Br)C2 2037417094 RUVJWEALSPUKIF-WHUPJOBBSA-N 458.013 4.804 50 10 JJGE O=C(CBr)c1ccc(I)c(OC(F)(F)F)c1C(F)(F)F 2055118859 YRLLBOYXNUGQFC-UHFFFAOYSA-N 476.936 4.786 50 10 JJGE C[C@@H](Br)C12CCC(CC1)N2S(=O)(=O)c1cc(Cl)c(Br)s1 2153392557 GRHYGHORQRIYSZ-OQNPIJIBSA-N 463.644 4.633 50 10 JJGE Cc1csc(CBr)c1S(=O)(=O)N(C)[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2179819349 KXJJRKDSHOVAGH-VQIMIIECSA-N 472.470 4.956 50 10 JJGE CC(C)(C)[C@H]1[C@@H](Br)CCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2185112178 ZWZQISSAGZHEHU-OIBJUYFYSA-N 465.660 4.737 50 10 JJGE CC(C)(C)[C@@H]1[C@H](Cl)CCN1C(=O)c1cc(I)ccc1Br 2185112638 CYIKTBKZMRDZSG-OLZOCXBDSA-N 470.576 4.922 50 10 JJGE CC1(C)CCCN(C(=O)c2cc(Br)ccc2I)[C@@H]1CCl 2185812385 ORNQBVOSDJJODA-CYBMUJFWSA-N 470.576 4.923 50 10 JJGE O=C(N[C@@H](CCl)[C@H]1CC=CCC1)c1cc(I)ccc1Br 2196158762 AXVKBDVPAOTAAB-HZMBPMFUSA-N 468.560 4.747 50 10 JJGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(Br)c1 2217398721 YFJQLSIXVAOTDD-CQSZACIVSA-N 479.209 4.953 50 10 JJGE ClC[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncc(I)cc1Br 2231986459 WROMBGQCAAZKSE-GAFUQQFSSA-N 455.565 4.825 50 10 JJGE C[C@@H](Br)C[C@H]1CCCCN1C(=O)c1c(F)cccc1I 2282806495 MPZLKXVPFRANCQ-GHMZBOCLSA-N 454.121 4.599 50 10 JJGE CCOC(=O)C(C#N)=Cc1cc(Br)c(OCCOc2ccccc2)c(OCC)c1 2293993110 DAFAEPGKEINGRT-UHFFFAOYSA-N 460.324 4.776 50 10 JJGE CC(C)[C@H]1[C@@H](Br)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2295312207 VBQLKYZPRBGUIQ-ZFWWWQNUSA-N 468.027 4.775 50 10 JJGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N2CCOCC2)cc1F 2295838582 AJYXRSFAJOKWKT-UHFFFAOYSA-N 474.536 4.623 50 10 JJGE C=CC[C@@H](Br)[C@H]1CCN1C(=O)c1scc(Br)c1Br 2314217409 TYLZOLODAHTQEF-VXNVDRBHSA-N 458.013 4.827 50 10 JJGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(Oc3cc(C)cc(C)c3)nc3ccccn3c2=O)cc1 2314436830 LTQZNGODSFWUDZ-UHFFFAOYSA-N 471.538 4.750 50 10 JJGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)C(C#N)=CNCCc1cccc(Br)c1 2325079085 GHQJITFDYFZRAI-QGZVFWFLSA-N 456.384 4.573 50 10 JJGE C[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@]1(C)CBr 2325221830 IOKOVOBIZOFDOI-YGRLFVJLSA-N 487.017 4.907 50 10 JJGE C=CC[C@H](Br)[C@@H]1CCN1C(=O)c1cc(I)ccc1Br 2335809228 DWOJKBXDQJDKBT-STQMWFEESA-N 498.984 4.608 50 10 JJGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 14643315 NUKZVPWSZWLLMY-GOSISDBHSA-N 497.389 4.727 50 10 JJGE O=C(N/N=c1/oc2ccc(Br)cc2cc1-c1nc2ccccc2[nH]1)c1ccccc1 27495783 QCZKTIPACDKAGQ-WEMUOSSPSA-N 459.303 4.984 50 10 JJGE N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1nn(CCO)c(N)c1C#N 33403639 IHTBSCQEYNBFGP-YBEGLDIGSA-N 477.355 4.703 50 10 JJGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2F)cc1Cl 38688006 AYHWSSQFHLSVCA-JOCHJYFZSA-N 450.853 4.925 50 10 JJGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1Nc1cc(Cl)ccc1Cl 40778245 XUTSAOOELKPEPS-UHFFFAOYSA-N 468.142 4.629 50 10 JJGE COc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2)CCC3)c1 40811626 UVSHYKAKWMJGRX-ZXVVBBHZSA-N 451.910 4.973 50 10 JJGE O=C(N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21)c1ccccc1 40846203 DUKFBPCLQAGAKJ-QQTULTPQSA-N 468.738 4.783 50 10 JJGE CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccccc2)cc1 59500494 KJLDJJIRFATOOS-YSMPRRRNSA-N 494.345 4.781 50 10 JJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccc(Cl)cc3Cl)C2=O)cc1 101232941 CDJMZPDMQZTSSM-CPNJWEJPSA-N 456.329 4.749 50 10 JJGE Cc1ccc(Cn2nc(C)c(/C=C\C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)c2Cl)cc1 104779403 ZHARHNUESFGRMZ-QXMHVHEDSA-N 487.947 4.600 50 10 JJGE CC1(C)[C@@H]2C[C@@H]1CC=C2C=NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 254876883 HGPYZKQZQUVNGI-PKOBYXMFSA-N 457.983 4.849 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CCC(CCCCl)CC1 401064649 IAWQUYRYGCTYIP-UHFFFAOYSA-N 470.576 4.925 50 10 JJGE C[C@H]1CCCN(C(=O)c2cc(Br)cc(Br)c2)[C@H]1CBr 688679662 PVCGIALIPRYZGC-ZANVPECISA-N 454.000 4.847 50 10 JJGE BrCc1ccc(Br)cc1N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 705933885 MMPBTOXNPIUNJB-ROUUACIJSA-N 450.218 4.912 50 10 JJGE O=C(NNC(=O)c1ccccc1OCc1ccc(F)cc1)N[C@@H]1CCc2c(Br)cccc21 727944107 BSCCEUDWYHRPHL-OAQYLSRUSA-N 498.352 4.799 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc(F)c3)cc2)cc1 1084269561 WZDHWDFXIGCTIL-RUZDIDTESA-N 450.510 4.767 50 10 JJGE C[C@@H](COc1ccccc1F)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 1321947238 AVQXUIJBWYKPKE-NFBGKYEXSA-N 477.927 4.747 50 10 JJGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)cc(Cl)c1 1858682613 BDCSJYDLCGGDRC-UHFFFAOYSA-N 477.260 4.925 50 10 JJGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865707745 FAYYRRDADUYMCY-XMMPIXPASA-N 452.514 4.823 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(-c3ccccc3)on2)cc1 1866824448 YGYYPFCUJQGGIE-QFIPXVFZSA-N 468.538 4.895 50 10 JJGE CCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CCCOC)C4=O)n2)cc1 1872744536 XCPDASYCCOOQRV-LNVKXUELSA-N 473.554 4.955 50 10 JJGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@H]1C[C@H](Br)C1 1877420782 DJZSUTDAJVPNMM-BRWVUGGUSA-N 471.395 4.546 50 10 JJGE C[C@H](Br)[C@@H](NC(=O)c1ccc(Br)cc1Br)C(F)(F)F 1882651606 KQRXJKKDFGZNFT-SSDLBLMSSA-N 467.905 4.656 50 10 JJGE O=S1(=O)CC[C@@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 1899892177 JLSRPTQSDDONNG-SJORKVTESA-N 460.187 4.651 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 2010826615 FCJTUEUXPBAURI-RCCFBDPRSA-N 475.721 4.518 50 10 JJGE Cc1cnc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)c(Br)c1 2022057784 FPIOFUGSQZNOAY-KRWDZBQOSA-N 452.190 4.968 50 10 JJGE FC(F)(F)Oc1c(CBr)ccc(Br)c1I 2054809372 YKNNXDKSPIYXNF-UHFFFAOYSA-N 459.825 4.847 50 10 JJGE O=C(CBr)c1ccc(C(F)F)c(OC(F)(F)F)c1I 2060384100 MTBOZYYEUUTUAT-UHFFFAOYSA-N 458.946 4.705 50 10 JJGE CC(C)(C)OC(=O)N1CCc2c(sc(I)c2CBr)C1 2080792205 IAEZEWYUADFDIH-UHFFFAOYSA-N 458.159 4.541 50 10 JJGE ClCc1nc2cc(I)ccc2n1[C@H]1CCOC[C@@H]1OCc1ccccc1 2090340202 OWKWIEWNHJJXLH-OALUTQOASA-N 482.749 4.927 50 10 JJGE O=C(c1sccc1I)N1CCC[C@@]2(CBr)CCC[C@H]12 2108987095 YJDMRSCZIJXFNY-SMDDNHRTSA-N 454.171 4.523 50 10 JJGE COc1c(C)cc(Br)cc1[C@H](Br)c1cnn(C)c1I 2141617626 UAQFFGJUHSOIBC-NSHDSACASA-N 499.972 4.589 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CC[C@@](CCl)(C(F)(F)F)C1 2167690929 YCWOAALRDLUMCM-JTQLQIEISA-N 455.521 4.907 50 10 JJGE COc1cc(-n2cc([C@@H](Br)C(C)C)nn2)c(Br)cc1Br 2177556127 QRPKUGMYIRYTNI-ZDUSSCGKSA-N 467.987 4.893 50 10 JJGE CCn1cc(Br)c(CN(C)c2ccc(Br)cc2CBr)n1 2181210200 LFMFMHIQIFMDJQ-UHFFFAOYSA-N 466.015 4.959 50 10 JJGE Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](OCc3ccccc3)C2)cc1CBr 2186381367 OQQVKTOGYLUKIA-HXUWFJFHSA-N 452.414 4.568 50 10 JJGE O=S(=O)(Cc1ccc(Br)cc1)N(CCCBr)Cc1ccccc1 2210632489 BGDYPSKKWYYTIV-UHFFFAOYSA-N 461.219 4.566 50 10 JJGE CCN(C(=O)c1cc(Cl)ccc1I)[C@@H]1CCC[C@H]1Br 2224419288 HFTMPQDZGAYUJU-DGCLKSJQSA-N 456.549 4.723 50 10 JJGE CN(C(=O)c1ccc(I)c(Br)c1)[C@@H](CCl)CC1CC1 2226150522 HSLNRTJYROSQDL-LLVKDONJSA-N 456.549 4.533 50 10 JJGE C[C@H]1[C@@H](Br)C[C@@H](C)CN1C(=O)c1cc(Br)cc(Br)c1 2227593296 CLLLBBJUYFMXRZ-ZDMBXUJBSA-N 454.000 4.846 50 10 JJGE O=S(=O)(Nc1ccc(Br)cc1I)c1ccccc1CCl 2239998175 CQURTGPQPNBXGL-UHFFFAOYSA-N 486.556 4.593 50 10 JJGE CN(C(=O)c1ccc(Cl)c(I)c1)[C@H](CBr)C(C)(C)C 2268343059 AZMBNFUDXLPWGH-GFCCVEGCSA-N 458.565 4.826 50 10 JJGE C[C@@H](Br)CN(C(=O)c1cccc(Br)c1Br)C1CCC1 2272455301 XJAVJGYCZARRIJ-SECBINFHSA-N 454.000 4.990 50 10 JJGE O=C(c1scc(Br)c1Cl)N1CC[C@](CBr)(C(F)(F)F)C1 2279184099 QVFMJDDJRLQCSN-SNVBAGLBSA-N 455.521 4.954 50 10 JJGE NNC(=O)C(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)NC(=O)c1ccc(Cl)cc1Cl 2296750161 ABTGGHLOQZKJRF-UHFFFAOYSA-N 492.366 4.607 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC[C@H]1C[C@H]2CCC[C@H]1CC2 2301131586 NTJHZLZYUJUNAQ-GGXPGOJBSA-N 451.389 4.938 50 10 JJGE C[C@@H]1C[C@@H]1N(CCBr)Cc1ccc(I)c(Br)c1 2306227206 KEOGDLHMXFDUGO-RNCFNFMXSA-N 472.990 4.659 50 10 JJGE Cc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccccc2Cl)nc2ccccn2c1=O 2314532552 KYMZSERPVAOULO-UHFFFAOYSA-N 456.889 4.994 50 10 JJGE CCCOc1ccc(C=NNC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cc1Cl 2323648590 UKLKXEPKEDXYPJ-UHFFFAOYSA-N 458.345 4.756 50 10 JJGE Cc1c(C=NNC(=O)c2cccn(Cc3ccc(C(C)(C)C)cc3)c2=O)c2ccccc2n1C 2323665032 BBIHJBTVYKRFBM-UHFFFAOYSA-N 454.574 4.758 50 10 JJGE COc1cccc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1OCc1ccc(Cl)c(Cl)c1 2328818765 MKJSUQHRZPVJAI-AWEZNQCLSA-N 496.391 4.944 50 10 JJGE C=CC[C@@H](Br)[C@H]1CCN1C(=O)c1cc(Br)cc(Br)c1 2335821549 ODDZBHHMUXDVMB-CHWSQXEVSA-N 451.984 4.766 50 10 JJGE F[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(Cl)c(I)c1 2337217991 DBATYFKBUKQWMD-QOBDMFJFSA-N 458.540 4.783 50 10 JJGE C/C(=N\NC(=O)COc1ccc2cc(Br)ccc2c1Br)c1cccc(N)c1 12491495 RJBCCVUXPPUIEE-WYMPLXKRSA-N 491.183 4.866 50 10 JJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)c1 19808013 KKVWBJRVBVPBIF-JYACYGOOSA-N 468.557 4.615 50 10 JJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(C)cc1 20806901 WWOVEDBGXNBNRU-OXVLKEGXSA-N 469.014 4.669 50 10 JJGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cc(OCC)c(OCC)c(OCC)c2)c(OC)c1 33716598 OYVYGSOMTBCHRV-MOSHPQCFSA-N 496.560 4.544 50 10 JJGE COc1cc(/C=C(/C#N)c2nnc3n2CCCCC3)ccc1OC(=O)c1ccc2ncccc2c1 33827898 VTUJXRQOISXHCV-STZFKDTASA-N 465.513 4.845 50 10 JJGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2)c1 38650381 HARWSHWQFANXIL-RUZDIDTESA-N 456.498 4.921 50 10 JJGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40812975 NPINDHQMQHXPCA-ZXVVBBHZSA-N 480.908 4.550 50 10 JJGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccncc1)CCC2 40814042 XPSOUONLNBTTSR-WGOQTCKBSA-N 458.301 4.979 50 10 JJGE CNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(C)c(C)c1 101240754 YPARLGAHLQWRCF-PSRBBBRCSA-N 460.386 4.783 50 10 JJGE Cc1nc(COc2ccc(/C=C(/C#N)S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)no1 109085739 RIAALDNKGAKNDS-PXNMLYILSA-N 450.303 4.602 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C)c(C)c1 206733182 CHJDNESEMVYXRG-BKUYFWCQSA-N 474.513 4.503 50 10 JJGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1cccc(Br)c1 217254156 QKWDQPQSRXSSAH-BENRWUELSA-N 482.119 4.820 50 10 JJGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNC(=O)c2ccccc2C)c1 254668938 IVAIFFMNMXRDEO-UHFFFAOYSA-N 479.536 4.556 50 10 JJGE O=S(=O)(NC[C@H]1CCC[C@H](CBr)C1)c1cc(Cl)c(Br)s1 312730194 VXRVWYJWBNDXFG-IUCAKERBSA-N 465.660 4.644 50 10 JJGE C[C@H](Br)C[C@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1Br 312867449 SCEVUJJPURMGSJ-GXSJLCMTSA-N 490.055 4.538 50 10 JJGE CC[C@@H](NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)[C@H](C)Br 386647184 AZGLHAUIBRGNSG-QUBYGPBYSA-N 454.011 4.596 50 10 JJGE CC(C)(C)OC(=O)NCCN1CCNC[C@@H]1c1cccc(CCO[Si](C)(C)C(C)(C)C)c1 616637393 WWOWYOVTQDVKJU-JOCHJYFZSA-N 463.739 4.722 50 10 JJGE CC(C)N(C[C@H](C)Br)c1ncc(C(F)(F)F)cc1I 686113003 UNXRLKZFNXJZGB-QMMMGPOBSA-N 451.068 4.703 50 10 JJGE CC(C)(C)N(CCCCl)C(=O)c1cc(I)ccc1Br 690982971 DPGYWOVAIGGVDA-UHFFFAOYSA-N 458.565 4.923 50 10 JJGE Cc1ccnc(COc2c(Br)cc(CBr)cc2Br)n1 692618305 NMBTUBZSHGZHMQ-UHFFFAOYSA-N 450.956 4.784 50 10 JJGE CC(C)c1ccc(NC(=O)COC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1 761410210 MBZHJPVMTVUHJD-JCMHNJIXSA-N 467.529 4.676 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)COc2ccc(Cl)cc2Cl)cc1 1083917645 XYEALBDPNAPDLJ-UHFFFAOYSA-N 493.368 4.599 50 10 JJGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 1084381234 GUERHHPKRFEXTB-UHFFFAOYSA-N 479.602 4.554 50 10 JJGE N#Cc1ccc(NC(=O)NN=C2c3ccc(Cl)cc3C[C@@H]2NC(=O)c2ccc(F)cc2Cl)cc1 1088698668 NQDQCRKKJXLEQR-NRFANRHFSA-N 496.329 4.885 50 10 JJGE C/C(=C/C(=O)NNC(=O)COc1ccc(OCc2ccccc2)cc1)c1cccc(Cl)c1 1290185689 IGJRYVNXEUZDQB-JXAWBTAJSA-N 450.922 4.549 50 10 JJGE C=CCn1c(SCC(=O)NNc2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1Cl 1446464653 FRHZTKRASYHJLO-UHFFFAOYSA-N 459.362 4.545 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(F)c([N+](=O)[O-])c2)[C@@H](CI)C1 1614694278 IHIWPADMIRMFAR-JKSUJKDBSA-N 484.265 4.521 50 10 JJGE Cc1c(C(=O)NCCc2cccs2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744528 YZXKXSRWBURZLD-UHFFFAOYSA-N 455.967 4.746 50 10 JJGE CCOc1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1 1772753842 BBSQTOKYOPAMJM-UHFFFAOYSA-N 483.362 4.956 50 10 JJGE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865695226 AEECOEKCDSAZRV-GOSISDBHSA-N 457.715 4.520 50 10 JJGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865697269 YUXLALYJYRTVEZ-LJQANCHMSA-N 485.769 4.833 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(OC)c1)C(C#N)=C(N)O2 1865705753 DSTBNTFEXDFQJU-HXUWFJFHSA-N 481.350 4.520 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1ccccc1[N+](=O)[O-] 1865710274 SUNBFLDWGAOCPY-HNNXBMFYSA-N 461.787 4.671 50 10 JJGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)COc1ccc(Cl)cc1Cl 1865755538 DKXBYDCOVQDOFS-UHFFFAOYSA-N 464.736 4.857 50 10 JJGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OCc2ccc(F)cc2)c1 1873794806 BNJFFTHSAUIXIG-QYJQOTDOSA-N 457.546 4.794 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 2010828394 GEKMLLQTJPXXGU-DRSNIGMVSA-N 475.721 4.518 50 10 JJGE CC[C@@H](C)[C@@H](CI)NCc1ccc(I)c(Cl)c1 2026564033 PKABODMTXULTDS-NOZJJQNGSA-N 477.555 4.884 50 10 JJGE FC(F)(F)Oc1c(I)ccc(CCl)c1I 2060229832 FSSSFOWHZYKDGN-UHFFFAOYSA-N 462.374 4.533 50 10 JJGE O=C(CBr)c1cc(C(F)F)c(OC(F)(F)F)cc1I 2060389243 KPXMKCXCCCQCPW-UHFFFAOYSA-N 458.946 4.705 50 10 JJGE BrC[C@H]1CN(c2ncc(Br)cc2Br)CCC12CCC2 2095307640 GYVBIAUTWXVJEP-JTQLQIEISA-N 453.016 4.998 50 10 JJGE CC(C)[C@H](Br)c1cn(Cc2cccc(Br)c2Br)nn1 2121068138 LVUSIJHJEWWBTR-LBPRGKRZSA-N 451.988 4.943 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CC2(CCC2)C[C@H]1CBr 2151516559 STGJFBOXNHNRHR-NSHDSACASA-N 468.560 4.724 50 10 JJGE CN(C[C@@H](Cl)C1CCCC1)C(=O)c1cc(Br)ccc1I 2167648575 WRZAUQYIYRXCPC-CYBMUJFWSA-N 470.576 4.923 50 10 JJGE O=C(N[C@H](CCBr)C1CCCC1)c1cc(I)ccc1F 2169664652 VFJMYXHULAGPKZ-CQSZACIVSA-N 454.121 4.504 50 10 JJGE CN([C@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1cccc(CBr)c1 2179823327 IBIBIMNESBCRDW-PMACEKPBSA-N 452.414 4.586 50 10 JJGE CC(C)(C)OC(=O)N[C@@H]1CN(CCCCCI)C2(CCCCC2)C1 2214711335 JPBZNQOWEWQYIJ-INIZCTEOSA-N 450.405 4.894 50 10 JJGE Cc1ccc(C(=O)NC[C@H]2CCCC[C@H]2CBr)cc1I 2232826128 IUGAVHXYSBNIKY-UONOGXRCSA-N 450.158 4.531 50 10 JJGE COc1ccc([C@@H](Br)c2c(F)cccc2OC)cc1I 2284997513 GTZJMLATZTYXJA-OAHLLOKOSA-N 451.073 4.932 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1[C@H]2CC[C@@H]1C[C@@H](Br)C2 2295309630 LRDHDWZMANKNMZ-ZSOGYDGISA-N 466.011 4.671 50 10 JJGE COc1ccc(-n2c(C)cc(C=C(C#N)C(=O)OCC(=O)Nc3ccccc3Cl)c2C)cc1 2297486625 OSXWTMBIRNGWGB-UHFFFAOYSA-N 463.921 4.845 50 10 JJGE BrC[C@H](Cc1ncc(I)cn1)Cc1ccccc1Br 2353311139 GOPWXVWVOHGTES-JTQLQIEISA-N 495.984 4.640 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)ccc1OC(=O)c1cccs1 3014116 JSMHPUXGKHOZIB-NRFANRHFSA-N 486.505 4.691 50 10 JJGE aggregator CCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OCCC(C)C)cc1 14652821 ROOWMIJIVOGRQL-UHFFFAOYSA-N 463.372 4.738 50 10 JJGE CCOc1cc(/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCC(C)C 38607543 ICDKHZZDJYYPSG-HZHRSRAPSA-N 458.558 4.955 50 10 JJGE CCCCCCOc1ccc(/C=N/NC(=O)COc2ccccc2Br)cc1OC 40911054 LYDGAFASZTTZNM-BUVRLJJBSA-N 463.372 4.946 50 10 JJGE O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1ccc(N2CCCC2=O)cc1 59507866 RLSCGBKOBAJWOU-JVWAILMASA-N 492.373 4.919 50 10 JJGE CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(OCC)c(N3CCOCC3)cc2OCC)c1C 96623734 DWFRYMGAZAWTFL-JCMHNJIXSA-N 480.609 4.695 50 10 JJGE O=C(N[C@H]1CCCC[C@@H]1CBr)c1cc(Br)cc(Br)c1 231609605 NHGQBPGLCUDSCP-RNCFNFMXSA-N 454.000 4.895 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@@H](c2cccc(Br)n2)C1 382711190 HFZFAKJMPVHRCR-GJZGRUSLSA-N 454.162 4.591 50 10 JJGE CC[C@@H]1[C@@H](CBr)CCN1C(=O)c1cc(Br)ccc1Br 386323176 UKMXWMHDWLVDQF-NOZJJQNGSA-N 454.000 4.847 50 10 JJGE C[C@@H](CCBr)CCNC(=O)c1cc(I)ccc1Br 397760897 VMVGKBCRMMQTNT-VIFPVBQESA-N 488.989 4.595 50 10 JJGE C[C@H]1C[C@@H](Br)CCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 705601388 XTVMLVVFSHYQHX-YUMQZZPRSA-N 466.022 4.692 50 10 JJGE C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OCC 1083936775 KWTVCVQRJJQBTB-XDHOZWIPSA-N 492.373 4.607 50 10 JJGE O=C(COc1ccc2c(c1Br)CCCC2)NN=Cc1cccc(Br)c1 1084359235 YOSSVJIEIJOWRQ-UHFFFAOYSA-N 466.173 4.620 50 10 JJGE Cc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3ccc(Br)cc3)c2C)c(C)c1 1084493747 HBIGABYWOGRPKF-UHFFFAOYSA-N 467.367 4.562 50 10 JJGE COc1cc(C=NNC(=O)Nc2ccc(Br)cc2)ccc1OCc1cccc(C(=O)O)c1 1084500048 NUVLFMDMHWAIGV-UHFFFAOYSA-N 498.333 4.891 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)N2CCCc3c2cccc3S(C)(=O)=O)c(C)n1-c1ccc(F)cc1 1115936877 CONWMJJXAFTZBP-HKWRFOASSA-N 477.561 4.523 50 10 JJGE C#C[C@@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C)C1CCOCC1 1131258264 WSXCTFRVTAVDJG-JPFXZVHCSA-N 455.480 4.565 50 10 JJGE C/C(=C\c1c(Cl)cccc1Cl)C(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C 1151652309 AMNLFBVQRXVSNK-OUKQBFOZSA-N 456.395 4.617 50 10 JJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2snc3ccccc23)cc1 1867267720 NMVLKIULOKTUOP-OAQYLSRUSA-N 476.558 4.988 50 10 JJGE N#C/C(=C(/O)CN1C(=O)c2ccccc2C1=O)c1nc(-c2cccc(Br)c2)cs1 1872745809 DMLKQHHVBUIKPF-VLGSPTGOSA-N 466.316 4.661 50 10 JJGE C[C@@H]1CC[C@](CBr)(NC(=O)c2cc(Br)ccc2Br)C1 1880940105 TZJMYCPGZXLCLC-OTYXRUKQSA-N 454.000 4.895 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 1988796970 KQIVTZTZAMGKDF-UWHLTILDSA-N 452.686 4.866 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@]2(CC[C@@](C)(CI)O2)C(F)(F)CC1 2020326789 MJQVOGUURWZSSF-JKSUJKDBSA-N 459.315 4.786 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CC(F)(F)C[C@@H]1CBr 2041123232 ABPDHEIXWYDLSL-RXMQYKEDSA-N 467.955 4.518 50 10 JJGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1csc(Br)c1Br 2042544294 CHCBOYJMVMGORS-CRYJXSNHSA-N 458.013 4.565 50 10 JJGE C[C@]1(CCBr)CCN(C(=O)c2c(Br)cccc2Br)C1 2131894659 JDUWZLLWZSWCMN-AWEZNQCLSA-N 454.000 4.849 50 10 JJGE O=C(NC[C@@]1(CBr)CC12CCC2)c1cccc(Br)c1Br 2154180913 OQNZNEZIBBNBMU-HNNXBMFYSA-N 466.011 4.897 50 10 JJGE CC(C)(CCl)[C@H]1CCCN1C(=O)c1cc(I)ccc1Br 2155832070 SQENQQIDHHLPQO-CYBMUJFWSA-N 470.576 4.923 50 10 JJGE Cc1cccc(C(=O)N(C)C2(CBr)CC(C)(C)C2)c1I 2164566923 ILNMKLNBIKSDQW-UHFFFAOYSA-N 450.158 4.625 50 10 JJGE C[C@H](CCCCCI)NS(=O)(=O)c1c(Cl)cccc1Br 2174526945 NZLPOELGRJDDRN-SNVBAGLBSA-N 494.620 4.765 50 10 JJGE CO[C@H]1C[C@H](Oc2c(Br)cc(CBr)cc2Br)C[C@H]1OC 2187178251 SFXQYYGOHHSIPD-CGJHYDBRSA-N 472.999 4.678 50 10 JJGE CCC[C@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@H]1CBr 2205703634 OCTOUJZIELAPFN-WDEREUQCSA-N 470.576 4.828 50 10 JJGE Cc1c(Br)cccc1CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1I 2243597771 ZXOBFEGEFJCKSS-HUUCEWRRSA-N 496.183 4.697 50 10 JJGE COc1ccc(NC(=O)C(C#N)=Cc2cccc(OC)c2OCc2ccccc2)c([N+](=O)[O-])c1 2293116033 JDGZECQQPWOCLW-UHFFFAOYSA-N 459.458 4.737 50 10 JJGE CC1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CS(=O)(=O)C1 2299505343 WDLPSMHUEGVYJW-QGZVFWFLSA-N 474.214 4.899 50 10 JJGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)COc1cc(C)ccc1C(C)C 2314737479 OCPCDXNBMCZWGO-UHFFFAOYSA-N 450.535 4.543 50 10 JJGE Cc1ccc(-c2csc3nc(SCC(=O)NN=Cc4cccc([N+](=O)[O-])c4)nc(O)c23)cc1 2320488230 LVDITGRUOMPNAL-UHFFFAOYSA-N 479.543 4.523 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCc2cccc(C(F)(F)F)c2)C1 2327926432 KZUZFERUJZRYEW-UONOGXRCSA-N 471.257 4.645 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)c(OC)c1 2331385669 VLDPJHVEFPIOND-QGZVFWFLSA-N 461.543 4.669 50 10 JJGE CC(C)[C@@H](Br)C(C)(C)CN(C)C(=O)c1csc(I)c1 2340353000 DMEAJCITLJDQFX-GFCCVEGCSA-N 458.203 4.870 50 10 JJGE Clc1ccc(CN2C[C@H]3CC(Br)C[C@@H](C3)C2)c(I)c1 2341008374 ZCWJUSVLFOGSLT-GHMZBOCLSA-N 454.577 4.940 50 10 JJGE CC(C)[C@@H](CBr)N(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2367105762 RGHUGAUFEKTPQQ-LLVKDONJSA-N 468.038 4.796 50 10 JJGE CC(C)(C)OC(=O)N[C@@]12CCC(F)(F)C[C@@H]1CN(C[C@@H](CBr)CC1CC1)C2 2370219736 MSHRPFXYIAWVSU-GPMSIDNRSA-N 451.396 4.812 50 10 JJGE CNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 35446208 HUVDSSFNHGEYDD-STZFKDTASA-N 452.489 4.910 50 10 JJGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)NC)cc1 101240446 PLSLVURMELPMNR-YQPBSLOJSA-N 460.386 4.728 50 10 JJGE CN1C(=C(C#N)C(=O)CCC(=O)NCc2ccccc2OCc2ccccc2)N(C)c2ccccc21 108863181 CKORSUQKIOZAJB-UHFFFAOYSA-N 480.568 4.552 50 10 JJGE CCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(OCC)cc3)c(OCC)c2)cc1 254812677 RQCDRYMRXJWVGX-UHFFFAOYSA-N 476.529 4.866 50 10 JJGE N#Cc1ccccc1COc1ccc(C=NNC(=O)c2ccccc2)cc1I 1084114016 ZTMOMJRKDVCAJG-UHFFFAOYSA-N 481.293 4.506 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2cc([N+](=O)[O-])ccc2Cl)C1 1614701725 NPIJHVSQVWPMLW-GXFFZTMASA-N 466.703 4.634 50 10 JJGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744245 BNNYUHHNLTYNDV-UHFFFAOYSA-N 489.513 4.829 50 10 JJGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706031 MCCKDUQIWBFQMY-LJQANCHMSA-N 470.316 4.927 50 10 JJGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 1865712733 GJXCMCLBEUTWFA-QFIPXVFZSA-N 465.469 4.674 50 10 JJGE CCOC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)CI 1865947706 NZPLBXIDGGEZTH-UHFFFAOYSA-N 469.344 4.844 50 10 JJGE COc1cc(OC)cc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)c1 1872759754 YUPXDGQVCBREQY-JZJYNLBNSA-N 454.504 4.803 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C 1985349573 BEUMLNPOLGYLQY-DLBZAZTESA-N 463.710 4.708 50 10 JJGE CC1(C)[C@@H](CBr)CCN1C(=O)c1cc(Br)ccc1Br 2095212887 NXJBILJZABAMCK-SECBINFHSA-N 454.000 4.847 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@@H]1C[C@H](Br)C2 2098690896 GZWIUCDQNXAODJ-JGPRNRPPSA-N 498.984 4.584 50 10 JJGE CN([C@@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CCl)cc1Br 2100207656 OBUNKFJKRYLDAD-QZTJIDSGSA-N 458.805 4.556 50 10 JJGE C[C@@H](CCCCCCl)NC(=O)c1ccc(Br)cc1I 2142289399 PZFZOBBUJCVMNO-JTQLQIEISA-N 458.565 4.971 50 10 JJGE CN(C1CCC(Br)CC1)S(=O)(=O)c1cc(Br)ccc1Br 2160166663 WGGZZDHFZSPUML-UHFFFAOYSA-N 490.055 4.538 50 10 JJGE O=C(NC[C@H]1CCCC[C@H](Cl)C1)c1cc(Br)ccc1I 2163754192 QEEDWWRQSHCLCV-JQWIXIFHSA-N 470.576 4.971 50 10 JJGE COc1ccc([C@H](Br)[C@@]23CC[C@@](CF)(C2)OC3)cc1I 2290448214 ICKNDKWSAICSMS-KKUMJFAQSA-N 455.105 4.645 50 10 JJGE CCOC(=O)COc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1OCC 2313567172 COUVLBZAZNDGDC-UHFFFAOYSA-N 487.350 4.644 50 10 JJGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593400 MJDCKGLBZWPABX-VWLOTQADSA-N 483.593 4.746 50 10 JJGE C[C@H](Br)[C@@H](NCc1ccc(Cl)cc1I)C(F)(F)F 2318524415 NPLWRQATHURLHG-QUBYGPBYSA-N 456.471 4.749 50 10 JJGE N#CC(=C(O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2ccccc2)cs1 2331304814 GFTAPUBYOQHRCY-UHFFFAOYSA-N 466.316 4.661 50 10 JJGE COc1cc(Br)c([C@@H](Br)[C@@H]2C[C@@H]2Br)c(OC)c1OC 2332464786 WMSMUXRYSBMWJM-BUYFANAVSA-N 458.972 4.694 50 10 JJGE Cn1nc(Br)c(Br)c1[C@@H](Br)Cc1ccccc1[N+](=O)[O-] 2364031542 KTKKSHPDPRVVOS-QMMMGPOBSA-N 467.943 4.532 50 10 JJGE C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2I)[C@H]1CCBr 2365592707 PHOCIGCHPYDLKH-YGRLFVJLSA-N 470.576 4.970 50 10 JJGE COc1ccc(CBr)c(OCc2ccc(Cl)cc2I)n1 2365653886 NKKBIVBDTZCGOP-UHFFFAOYSA-N 468.516 4.822 50 10 JJGE CC(=NNC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1)c1ccc2c(c1)CCCC2 4016899 MPDMINWINCZHMS-NWIROFIJSA-N 480.612 4.943 50 10 JJGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccccc1OCCc1ccccc1 10509412 KXYUZGYSZVEQSU-FQEVSTJZSA-N 454.526 4.690 50 10 JJGE O=C(COc1ccc2ccccc2c1Br)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 12575769 HMBKFKTUGDSWLU-LSHDLFTRSA-N 462.687 4.693 50 10 JJGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1C(C)C 14649719 UKNDQHLGFZDABU-UHFFFAOYSA-N 463.372 4.591 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2OC)cc1 38658860 OLOHRSBCZLJOAI-VWLOTQADSA-N 486.524 4.930 50 10 JJGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)c1 38684527 YEBIXIMIHGRFLL-HHHXNRCGSA-N 468.509 4.762 50 10 JJGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)c1 38684543 SYDPXSDUYAVQMQ-DEOSSOPVSA-N 469.453 4.597 50 10 JJGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)c1 38684860 IVMDJVVUCXITED-SANMLTNESA-N 456.498 4.596 50 10 JJGE CN(C(=O)c1cc(Br)cc(Br)c1)[C@H]1CCCC[C@H]1Br 234315397 NVPQVKFSQNQZOV-OLZOCXBDSA-N 454.000 4.990 50 10 JJGE O=C(NC[C@H]1CCCC[C@H]1CCl)c1cc(I)ccc1Br 236013728 DCURNOWWUYVGLM-WDEREUQCSA-N 470.576 4.829 50 10 JJGE Cc1ccc(COc2ccccc2-c2cc(C(=O)NN=Cc3ccc(N(C)C)cc3)[nH]n2)cc1 254384047 REKKYLTYYVYSHX-UHFFFAOYSA-N 453.546 4.794 50 10 JJGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)c1OC 254706365 RFSBVQIDEJPYGZ-UHFFFAOYSA-N 474.586 4.653 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CCC[C@H](CCl)CC1 381078323 AHIYMLOQKPRBIF-JTQLQIEISA-N 456.549 4.535 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccc(F)c(Br)c2)C1 382714592 JFOYSDDGIWPZNI-NEPJUHHUSA-N 484.147 4.974 50 10 JJGE O=C(N[C@H](CBr)C1CCCC1)c1cc(Br)c(Br)s1 386115814 LDBINKRUTJNPRD-SECBINFHSA-N 460.029 4.957 50 10 JJGE Nc1cc(Br)ccc1[C@H]1CN(Cc2ccccc2)C[C@@H]1CI 394693461 QFZCHEORVGQXAI-YOEHRIQHSA-N 471.180 4.682 50 10 JJGE CCOc1ccc([C@H](Br)c2cn(C)c(Br)n2)cc1Br 698451611 SKGCQWAQYQVPKZ-LBPRGKRZSA-N 452.972 4.828 50 10 JJGE O=C(NN=Cc1ccc2c(c1)OCO2)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 725420946 FQRGAWRFXOKINH-UHFFFAOYSA-N 455.558 4.634 50 10 JJGE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)N[C@@H](C)c3ccccc3)cc2OC)c1 915843208 AMKLSBUUDKNGLS-YPKZHZFPSA-N 486.524 4.716 50 10 JJGE CC(=O)CCc1ccc(OCc2cccc(C(=O)NNc3cccc(C(F)(F)F)n3)c2)cc1 1457661098 QXHJDUZGWYJFHD-UHFFFAOYSA-N 457.452 4.958 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)c1O 1865684067 MGHHIZCWUSHRAU-MRXNPFEDSA-N 494.832 4.675 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)ccc1OC(=O)c1ccccc1 1865705335 SPGLGYRAZZHULW-QHCPKHFHSA-N 478.508 4.533 50 10 JJGE COc1ccc(-c2ccc(C(=O)N/N=C\c3c(Cl)nc4scc(C)n34)c(C)n2)cc1OC 1865760885 ULRHQEJWWMHFSZ-VROXFSQNSA-N 469.954 4.509 50 10 JJGE CCCC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(SC#N)cc1 1866878934 YEMWKZBCBLJZGO-VXKWHMMOSA-N 495.674 4.912 50 10 JJGE CSCC[C@@H](NC(=O)CCc1csc(-c2ccncc2)n1)C(=O)Nc1ccc(SC#N)cc1 1867060490 LZLQZUOVANXFOK-HXUWFJFHSA-N 497.671 4.587 50 10 JJGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CCc4ccccc4[C@H]3C2)n1 1868231618 MOPACKOIFCZSJI-JOCHJYFZSA-N 470.602 4.863 50 10 JJGE C[C@@H](NC(=O)c1scc(Br)c1Br)c1nnc(CBr)s1 1877573375 KFMCCHSWRCEGFU-SCSAIBSYSA-N 490.040 4.511 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 1902124119 FGSNPHNSABYLIM-IRXDYDNUSA-N 463.710 4.566 50 10 JJGE FC(F)(F)Oc1ccc(I)c(CCl)c1I 2060231378 CYZRTTOLLSJSEC-UHFFFAOYSA-N 462.374 4.533 50 10 JJGE CCN(C[C@](C)(CI)OC[C@@H]1CCC(C)(C)CO1)C(=O)OC(C)(C)C 2076725279 MFTWTVVEBVKQES-KXBFYZLASA-N 469.404 4.659 50 10 JJGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H](C)S(C)(=O)=O)c1Br 2081069688 CNSKNWGFTLMAFG-PRHODGIISA-N 463.029 4.698 50 10 JJGE Clc1nc(N2CCOCC23CCN(Cc2ccccc2)CC3)sc1CBr 2106862458 VFEVBXHBZWEVHU-UHFFFAOYSA-N 456.837 4.563 50 10 JJGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)N1CCC[C@H](CBr)C1 2123242817 BGCONDHMHBNEID-FUHWJXTLSA-N 457.459 4.663 50 10 JJGE O=C(NC[C@H]1C[C@@H](Cl)C12CCC2)c1cc(I)ccc1Br 2172230640 CXGGNSCJVWLRSH-NOZJJQNGSA-N 468.560 4.581 50 10 JJGE CCn1ncc(Br)c1[C@H](Br)c1ccc(OC)c(I)c1 2269556042 KZQOGGYRBJMSRI-GFCCVEGCSA-N 499.972 4.763 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1CCC[C@@H](CBr)C1 2295314906 FDHLWXIYNANDGI-YGRLFVJLSA-N 468.027 4.824 50 10 JJGE CCN1C(=O)COc2ccc(C(C)=NNC(=O)c3ccc(-c4ccc(C)c(C)c4)nc3C)cc21 2321270239 KMSUYAHMFUAZQP-UHFFFAOYSA-N 456.546 4.573 50 10 JJGE Brc1cc(CN2C[C@H]3[C@H](Br)CC[C@H]3C2)ccc1I 2325208356 VQWNMVIAJCTJIF-QJPTWQEYSA-N 485.001 4.659 50 10 JJGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 14036281 RNEXTNQJXQCUDH-GOSISDBHSA-N 479.602 4.512 50 10 JJGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 14644167 DZPINKZJALUDFN-UONOGXRCSA-N 483.790 4.610 50 10 JJGE COc1ccc(/C(C)=N\NC(=O)CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(OC)c1 27497977 PPHYEELHHDBTCZ-PPDIBHTLSA-N 471.863 4.635 50 10 JJGE CCOc1cc(/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 38606692 FZYRXCMFLOPIOU-PXLXIMEGSA-N 468.594 4.918 50 10 JJGE Cc1ccc2[nH]c(-c3ccc4ccccc4n3)c(CCCC(=O)NNC(=O)c3ccncc3)c2c1 39867317 QLSQARWFIXGXMY-UHFFFAOYSA-N 463.541 4.870 50 10 JJGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Nc1ccccc1Br 40781434 CHJJEGZZWHOLLT-UHFFFAOYSA-N 489.377 4.840 50 10 JJGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccccc1OCc1ccc(Br)cc1 58892370 RLXKXRLFMIMIAZ-PPEIKGMUSA-N 467.363 4.992 50 10 JJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1 214288949 ULEPJUYYGJMQBP-UQQQWYQISA-N 496.567 4.567 50 10 JJGE CCC[C@H](CCCl)CNC(=O)c1cc(Br)ccc1I 227494499 GZUOFAZYHDTFCA-SNVBAGLBSA-N 458.565 4.829 50 10 JJGE CC(C)[C@@H](CCBr)NC(=O)c1cc(Br)ccc1I 231124678 KZTMVUFXRVTRGV-GFCCVEGCSA-N 488.989 4.593 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H]1CBr)c1cc(Br)sc1Br 232467732 ACJHUIDUKFXKOU-SFYZADRCSA-N 460.029 4.814 50 10 JJGE CCCCOc1ccc(C(CC)=NNC(=O)[C@]2(C)CC2(Br)Br)cc1 252641500 ZDNGYEJDQVMURK-KRWDZBQOSA-N 460.210 4.992 50 10 JJGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNC(=O)c2ccccc2C)cc1 254289740 PAQFJCQYXOZASJ-UHFFFAOYSA-N 479.536 4.556 50 10 JJGE Cc1ccc(SCCC(=O)NN=Cc2sc(N3CCOCC3)nc2-c2ccccc2)cc1 254412784 MHTXIYUPMUBIDC-UHFFFAOYSA-N 466.632 4.588 50 10 JJGE Nc1cc(Br)ccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CBr 394686515 HWJWYPXLTQMKLE-PBHICJAKSA-N 468.189 4.778 50 10 JJGE C[C@H](Br)C[C@@H](C)CNC(=O)c1cc(Br)ccc1I 397820039 GWJYFWOBXJDDFQ-BDAKNGLRSA-N 488.989 4.593 50 10 JJGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1084309966 AVKAZXCNVHRVKE-UHFFFAOYSA-N 476.401 4.814 50 10 JJGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5cccnc5)c(C)c43)coc2c1C 1772751691 JVIBQAGLUZMQLL-UHFFFAOYSA-N 470.529 4.998 50 10 JJGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 1865709644 DREJAYOCZWEHDB-IBGZPJMESA-N 470.316 4.927 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1 1865713012 OKZXMNLIUCJMFC-KRWDZBQOSA-N 460.843 4.830 50 10 JJGE C/C(=N/NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)nc1C)c1ccc2c(c1)N(C)C(=O)CO2 1865763476 NKLDLUDRXKUZER-QDTIIGTASA-N 483.355 4.873 50 10 JJGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@H]1C[C@@H](Br)C1 1877420785 DJZSUTDAJVPNMM-ZACQAIPSSA-N 471.395 4.546 50 10 JJGE Cn1ncc([C@H](Br)c2sc(Cl)cc2I)c1Br 1900923917 GNPUVBYWIBWWBV-ZETCQYMHSA-N 496.393 4.986 50 10 JJGE CC(C)CCN(CCBr)c1ncc(I)cc1Br 2015767799 ZSKJTTVQYDXZHJ-UHFFFAOYSA-N 475.994 4.696 50 10 JJGE C[C@H](NC(=O)c1cc(Br)sc1Br)[C@H]1CCC[C@@H]1Br 2048891015 KMHYRDANFIGTIH-OOZYFLPDSA-N 460.029 4.955 50 10 JJGE COc1cc([C@@H](Cl)c2cc(I)sn2)c(OC)cc1Br 2120033797 VEIYQBMGUJMRID-GFCCVEGCSA-N 474.545 4.856 50 10 JJGE CC(C)C[C@@H](CBr)CNC(=O)c1cc(Br)ccc1Br 2120741530 BVCLUQAAWGPJII-JTQLQIEISA-N 456.016 4.999 50 10 JJGE O=C(c1cc(Br)sc1Br)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Br)C2 2134115569 YFUZJIVNRTUFHD-LHGNLISDSA-N 476.003 4.752 50 10 JJGE CC1(C)[C@@H](Br)CC[C@H]1NC(=O)c1ccc(I)c(Cl)c1 2142133614 HJKXHHDBYBEGGP-NWDGAFQWSA-N 456.549 4.627 50 10 JJGE O=C(N[C@@H]1CCCC[C@@H]1CCCl)c1ccc(I)c(Br)c1 2146725469 MUZPYSRINALXGU-QMTHXVAHSA-N 470.576 4.971 50 10 JJGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1cc(CBr)ccc1Cl 2179784938 GANGDORRMMLEKG-CVEARBPZSA-N 471.848 4.518 50 10 JJGE Fc1cc(Br)c2nc(CCl)n(C[C@H]3COCCN3Cc3ccccc3)c2c1 2194650822 UTBWGPUTJARAFC-INIZCTEOSA-N 452.755 4.578 50 10 JJGE CCN(C(=O)c1ccc(Br)cc1I)[C@@H]1CCC[C@@H]1Cl 2224421928 OYVOXWWLSSLABQ-WCQYABFASA-N 456.549 4.676 50 10 JJGE Cc1ccc(C(=O)N[C@@]2(CBr)CCC[C@H](C)C2)cc1I 2232825127 DAIVOORHERGJOI-ZBEGNZNMSA-N 450.158 4.673 50 10 JJGE CCCN(C[C@@H](C)Br)C(=O)c1ccc(I)c(Br)c1 2259747503 NVNDPQDCFDMJMM-SECBINFHSA-N 488.989 4.689 50 10 JJGE C=CCC1(CBr)CCN(C(=O)c2csc(I)c2)CC1 2272152807 DKLQRLOZSHMJLN-UHFFFAOYSA-N 454.171 4.546 50 10 JJGE CC(C)(C)C1CC(CBr)(NC(=O)c2sccc2I)C1 2274100668 WQZASKZBLHHJFA-UHFFFAOYSA-N 456.187 4.672 50 10 JJGE CCN(C(=O)Cc1cc(Br)cc(Br)c1)[C@H]1CCC[C@@H]1Br 2295313960 RGSHTKOPURYENR-KBPBESRZSA-N 468.027 4.919 50 10 JJGE CC(C)(CI)CN1C[C@H](NC(=O)OC(C)(C)C)CC12CCCCC2 2306816659 SYWRFMOTVMXEAR-OAHLLOKOSA-N 450.405 4.750 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@H]2C[C@]1(CBr)C2 2336565432 YBOOKTNTHJKKHW-DEZZCRIOSA-N 451.984 4.601 50 10 JJGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2[C@H]3COC[C@H]32)c1Br 2339655852 HXQGQZFNMDFCII-MDSNHJATSA-N 454.984 4.857 50 10 JJGE FC(F)(CBr)C(F)(F)CNCc1ccc(Cl)cc1I 2341008329 YPJYQCXCEMVSNJ-UHFFFAOYSA-N 474.461 4.700 50 10 JJGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1ccc(Cl)c(F)c1Cl 2343458644 PIIJNYUKCSXWKV-ZDUSSCGKSA-N 485.202 4.781 50 10 JJGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 12466933 TWWQXVUZPWNEQW-KWLPWJRRSA-N 463.946 4.676 50 10 JJGE CCCOc1ccc(/C=N/NC(=O)c2ccccc2I)c(OCCC)c1 20595461 QCSHPZOMMCYBQL-HYARGMPZSA-N 466.319 4.633 50 10 JJGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812232 ZAYBPYDEVFNDIS-NLRVBDNBSA-N 466.881 4.872 50 10 JJGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816218 UKWDTRAEAWBQPA-TWKHWXDSSA-N 468.513 4.624 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1 58895502 WSLMKJYCPWJUPF-UFVRDYMVSA-N 477.517 4.536 50 10 JJGE C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1OC 59474968 RVRSVQRBIDEQEY-MHWRWJLKSA-N 474.298 4.719 50 10 JJGE CCCOc1ccc(/C=N\NC(=O)c2ccc3[nH]c(Cc4ccccc4)nc3c2)cc1[N+](=O)[O-] 169925774 IGQONNAHPZEKEG-QQXSKIMKSA-N 457.490 4.615 50 10 JJGE CC(=O)c1cccc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 216493474 ZKWSHNLBTCKTMF-QLYXXIJNSA-N 464.569 4.642 50 10 JJGE COC(=O)c1ccc(COc2ccc(C=NNC(=O)c3cc4ccccc4cc3O)cc2)cc1 254841621 YSSFKZFRTAISLU-UHFFFAOYSA-N 454.482 4.675 50 10 JJGE O=C1OC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]4Sc5[nH]c(=S)sc5[C@H](c5ccc(Br)cc5)[C@@H]43)[C@H]12 256027467 XHXQPGFJPVFZPJ-QSAXWINLSA-N 480.430 4.756 50 10 JJGE COc1cc(OC)c([C@H](Br)c2sccc2I)c(OC)c1 380903484 AUEOLPLMWLDPKO-ZDUSSCGKSA-N 469.138 4.863 50 10 JJGE Cn1cc([C@@H](Br)c2c(Br)cc(F)c(F)c2F)nc1Br 698482833 RLQXBFPDYRUXNE-MRVPVSSYSA-N 462.889 4.847 50 10 JJGE O=C(c1scc(Br)c1Br)N1[C@H]2CC[C@H]1CC(Br)C2 705405822 KODQVYDAKPCURZ-YUMQZZPRSA-N 458.013 4.804 50 10 JJGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3c(Br)cnn3C)c2O1 720045497 URQXOCRKNGBCFO-JMCQJSRRSA-N 464.983 4.753 50 10 JJGE COc1cc(C=NNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc(Br)c1OC 1772756234 PCZHDNIYMBFHLZ-ZDUSSCGKSA-N 469.763 4.654 50 10 JJGE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865686894 DPEGZUAREYWUIB-RUZDIDTESA-N 479.540 4.635 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865687257 NEKVCNWWHOXYOM-XMMPIXPASA-N 482.515 4.978 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc(Br)c1O 1865689970 YAJCRXDRPFIHIS-GOSISDBHSA-N 487.741 4.529 50 10 JJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1 1865709112 OBZSXFDSPLKTSK-HSZRJFAPSA-N 478.508 4.553 50 10 JJGE N#C/C(=C(/O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc(F)c(F)c2)cs1 1872751332 CAWDNJSQILPCLI-SILNSSARSA-N 496.451 4.866 50 10 JJGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccccc1Br 1915088647 NKYVUFXQYFGLNT-CQSZACIVSA-N 461.219 4.814 50 10 JJGE O=S(=O)(CCCCCl)Nc1cc(Br)c(Br)c(Br)c1 2034339507 PUDGHWWBMXIFGD-UHFFFAOYSA-N 484.435 4.735 50 10 JJGE COc1cc(C)ccc1-n1nc(CBr)c(I)c1C(F)(F)F 2079251551 VVKSVFNGXQNXFS-UHFFFAOYSA-N 475.046 4.708 50 10 JJGE C[C@@H](Cl)[C@H]1CCCN(C(=O)c2ccc(Br)cc2I)C1 2142290148 YOLQIODZBCCOFB-ZJUUUORDSA-N 456.549 4.533 50 10 JJGE O=C(NC[C@H]1C[C@H](Cl)C12CCC2)c1ccc(I)c(Br)c1 2172238948 WGYYMDCTGIFWHH-MFKMUULPSA-N 468.560 4.581 50 10 JJGE C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(CBr)c2)CCN1Cc1ccccc1 2179795923 YDHSEEFOEOWHAV-INIZCTEOSA-N 471.848 4.520 50 10 JJGE C[C@@H]1C[C@@H](Cl)[C@@H](C)N(C(=O)c2cc(Br)ccc2I)C1 2227619358 MRLHYEQUOLQONL-KBVBSXBZSA-N 456.549 4.532 50 10 JJGE Cc1ccc(C(=O)N(C)[C@H]2CCCCC[C@H]2Br)cc1I 2232832659 FLFGEWWWYRAPGV-HIFRSBDPSA-N 450.158 4.768 50 10 JJGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C[C@@H]1Br 2241637905 PHRLRRNRNNYHRE-XARZLDAJSA-N 485.422 4.839 50 10 JJGE COC1(COc2c(Br)cc(CBr)cc2Br)CCOCC1 2280285873 LZFLHJUNXDDQNE-UHFFFAOYSA-N 472.999 4.681 50 10 JJGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@H]2CCCO2)cc1 2296731402 UXNNPFRSELQLAI-HSZRJFAPSA-N 458.587 4.853 50 10 JJGE N#CC(=CNc1ccc(S(N)(=O)=O)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2296753620 QXKRMZXBHCIKCW-UHFFFAOYSA-N 451.360 4.741 50 10 JJGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 2313546013 WBOKEOXNWWNQRA-UHFFFAOYSA-N 496.405 4.668 50 10 JJGE CN(C)C(=O)C(C#N)=Cc1ccc(OCc2ccc(Br)cc2)c(Br)c1 2313568731 YDVRRWBUQQKKKN-UHFFFAOYSA-N 464.157 4.786 50 10 JJGE COc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OC(C)C 2313730249 KMEZYUVUHXSBCZ-UHFFFAOYSA-N 460.284 4.699 50 10 JJGE CN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc(C=C(C#N)c3ccc(Cl)cc3)cc2)cc1 2320506138 CIRILFYNUOMRRS-UHFFFAOYSA-N 466.946 4.874 50 10 JJGE CCCOc1ccc(C=NNC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cc1Cl 2323652114 NLJRNTLRECOHSC-UHFFFAOYSA-N 458.345 4.756 50 10 JJGE CN(Cc1ccc(I)c(Br)c1)[C@@H](CCCl)C(F)F 2325210256 WSMYJUSFYGULDT-NSHDSACASA-N 452.508 4.748 50 10 JJGE CC[C@@]1(C)[C@@H](Br)CCN1C(=O)c1cc(Br)ccc1Br 2336760951 DOYNZXFZFOZJQW-JSGCOSHPSA-N 454.000 4.990 50 10 JJGE CCOc1ccc([C@H](Br)c2c(Br)c(Br)nn2C)cc1 2338723717 ZXURZPRPXHPXRK-JTQLQIEISA-N 452.972 4.828 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CCCCC[C@@H]1CBr 2340053421 AHYSXAGMFOYUJR-LLVKDONJSA-N 456.549 4.724 50 10 JJGE CN(C(=O)c1ccc(Cl)cc1I)C1CCC(Br)CC1 2340066634 SPQGCLBQMQKZID-UHFFFAOYSA-N 456.549 4.723 50 10 JJGE C[C@H]1Cc2cc([C@@H](Br)c3c(Br)c(Br)nn3C)ccc2O1 2364064775 VRPHSUFGVFATTN-WRWORJQWSA-N 464.983 4.753 50 10 JJGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1cccc2ccccc12 14668229 NOEBQKMRBVBLTG-UHFFFAOYSA-N 485.378 4.505 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1OC 38659437 KCFQVMFASRNCAY-VWLOTQADSA-N 456.498 4.840 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(Cl)cc1 40890029 YLXFERCHOGJDMJ-XMHGGMMESA-N 494.931 4.930 50 10 JJGE C=CCOc1c(Br)cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)cc1Br 58887427 HMMOKKYJQCQXBC-ZMPUUUETSA-N 496.199 4.740 50 10 JJGE O=C(N/N=C1\C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21)c1ccc(Cl)cc1Cl 59165703 YHEDPLQRBAOTGA-QQTULTPQSA-N 469.284 4.583 50 10 JJGE CC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2cccc(C)c2)cc1 59500492 MFPKBLJVRKYNBE-WGARJPEWSA-N 494.345 4.699 50 10 JJGE CNC(=O)c1c(NC(=O)/C(C#N)=C\c2c(-c3ccccc3)nc3ccccn23)sc2c1CCCC2 102925990 HYYDQUHZQJHCLQ-SDXDJHTJSA-N 481.581 4.847 50 10 JJGE Cc1cc(CC(CBr)(CBr)c2ccc(Br)cc2)n(C)n1 118878608 KNXDBCMVEQGXPS-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE O=C(COc1ccc([N+](=O)[O-])cc1)NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 254445250 XHNLWPPRXVJGRE-UHFFFAOYSA-N 473.460 4.995 50 10 JJGE C[C@H](CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C[C@@H](C)Br 398592076 QHKOCIMHRSAYTC-JGVFFNPUSA-N 468.038 4.844 50 10 JJGE CC1=C(C(=O)NN=Cc2ccc(Cl)cc2Cl)[C@@H](c2ccc(Cl)cc2)NC(=S)N1 1084096933 OUHGNMCBTCFYDB-QGZVFWFLSA-N 453.782 4.590 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 1084289718 GITKJEIUSNMDCL-UYRXBGFRSA-N 457.442 4.758 50 10 JJGE CC(=O)N1CCc2cc(NC(=O)NNc3cc(C(F)(F)F)ccc3Br)ccc21 1667033579 AULBKGXEEFZSKD-UHFFFAOYSA-N 457.250 4.526 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1c[nH]c2ccccc12 1865699701 AJMXSMWWLLDJIQ-SFHVURJKSA-N 453.399 4.789 50 10 JJGE COCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)C[C@@H]1C 1868342365 TUINSJXYQDBLDG-ROUUACIJSA-N 454.644 4.636 50 10 JJGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCNC(=O)[C@H]2c2cn(C)c3ccccc23)n1 1868389650 ZBAYODJEDYQLGU-AREMUKBSSA-N 497.628 4.915 50 10 JJGE COc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)c(F)c1 2079242748 DDLKWAJWIIDQBB-UHFFFAOYSA-N 493.036 4.597 50 10 JJGE CC(C)(C)[C@]1(CBr)CCN(C(=O)c2ccccc2I)C1 2160942703 SQVGQLCWYXLRRZ-INIZCTEOSA-N 450.158 4.565 50 10 JJGE Cc1ccc(C(CBr)(CBr)Cc2cc(Br)n(C)n2)cc1 2168209173 CAQBHXFDRMMQMF-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE C[C@@H]1COc2ccc([C@H](Br)c3cc(I)sn3)cc2OC1 2176537426 IDKOCLQNIBAJDO-CLAHSXSESA-N 466.138 4.639 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H](Br)CCC12CC2 2220272114 INLVJHIPXVSXMK-SSDOTTSWSA-N 458.013 4.805 50 10 JJGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1OC 2220401402 XBXPOKLGZDLNDN-HNNXBMFYSA-N 491.245 4.822 50 10 JJGE COc1ccc(Br)c(CBr)c1OC[C@@]1(Br)CC1(F)F 2227728498 OAOGRYAWBHOXEQ-NSHDSACASA-N 464.926 4.904 50 10 JJGE COc1ccc([C@H](Br)[C@@H]2OC[C@H]3CCCC[C@@H]32)cc1I 2284998232 QBQOASNEKIKWPZ-GUYJKWIASA-N 451.142 4.941 50 10 JJGE CCOC(=O)c1c(NC=C(C#N)c2nc(C3=C=CCS3)cs2)sc(C(=O)OC)c1C 2297746977 SCOUJWCREKOBDA-UHFFFAOYSA-N 459.574 4.696 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(CC)cc2Br)cc1 2314789664 TTWFHMLVDRQDTH-UHFFFAOYSA-N 485.378 4.819 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1[C@H]2CC[C@@H]1C[C@H]2CBr 2330468617 OVNCJPRLISQJKW-BIMULSAOSA-N 451.984 4.600 50 10 JJGE CC(C)C[C@H](CBr)CNC(=O)c1ccc(Cl)cc1I 2340051767 HFYZDKYEPZLSPA-SNVBAGLBSA-N 458.565 4.732 50 10 JJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)C)cc1 9231636 GPKMSXJYYPADAU-MRXNPFEDSA-N 477.399 4.691 50 10 JJGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1 14644205 GJAOLKOUJXHLGK-CQSZACIVSA-N 473.754 4.998 50 10 JJGE COc1ccc(Cl)cc1Nc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40589734 VKHWVGIVEFVAOM-UHFFFAOYSA-N 483.699 4.854 50 10 JJGE Cc1cccc2sc(Nc3ncnc(NNC(=O)c4ccc(Cl)cc4Cl)c3N)nc12 40783480 BCMSGRKYNDEKBC-UHFFFAOYSA-N 460.350 4.784 50 10 JJGE CC(C)(C)COC(=O)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 59147438 OGIVDDFHSLEHCX-MOHJPFBDSA-N 462.319 4.611 50 10 JJGE O=C(NCc1ccc(CBr)cc1)c1ccc(I)c(Cl)c1 227505681 DITLVWCBXAPZCM-UHFFFAOYSA-N 464.528 4.770 50 10 JJGE COc1cc(C[C@H](Br)c2cc(Br)sc2Br)ncn1 234994439 FCZLUFCXZUPTEM-QMMMGPOBSA-N 456.985 4.750 50 10 JJGE CCOc1ccc([C@H](Br)c2cnn(C)c2Br)cc1Br 379219648 SBXUGPOVCUVOGR-LBPRGKRZSA-N 452.972 4.828 50 10 JJGE Cc1ccnc2c1nc(CCl)n2-c1ccc(I)c(Br)c1 380066995 WZGIFVOCZDSYGA-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2cccc(Br)c2O)C1 382694401 WZXNBIYPWAHDRV-GDBMZVCRSA-N 469.173 4.902 50 10 JJGE O=C(CBr)c1ccc(C(F)(F)F)c(C(F)(F)F)c1I 575381801 SYNXUJLLAVTGMZ-UHFFFAOYSA-N 460.937 4.906 50 10 JJGE C[C@H](Cl)[C@@H]1CCCN(C(=O)c2cc(I)ccc2Br)C1 689044762 VHLWDZYNUNNYKA-VHSXEESVSA-N 456.549 4.533 50 10 JJGE O=C(N[C@@H](CBr)CC(F)(F)F)c1cc(Br)cc(Br)c1 717758649 HGATVWQJJINCFH-SECBINFHSA-N 467.905 4.657 50 10 JJGE CC(C)CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1 914467594 BVFVBPANKIKSHY-PGMHBOJBSA-N 466.545 4.994 50 10 JJGE Cc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(Br)cc1F 1084209167 XGSSOMYTWRPYJO-QFIPXVFZSA-N 472.358 4.960 50 10 JJGE CCN(CC)C(=O)Cn1cc(/C=C(/C#N)C(=O)NCc2cccs2)c2cc(Br)ccc21 1084596296 UNEUXDRCMJZWFE-YBEGLDIGSA-N 499.434 4.557 50 10 JJGE N#CC1=NN(c2ccccc2)[C@H](c2ccccc2)C2=C1OC(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])cc1 1088670207 OGXLMZAMDHFHEG-UKILVPOCSA-N 474.480 4.798 50 10 JJGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682391 NNJRZRZLMOKIQO-XMMPIXPASA-N 480.524 4.789 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706208 QEIIHEKPVUCXHA-DEOSSOPVSA-N 498.514 4.678 50 10 JJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865708409 WGDAKIVWPQAIKF-QHCPKHFHSA-N 468.488 4.914 50 10 JJGE CCOC(=O)c1c(C)nn(-c2cccc(F)c2)c1NC(=O)/C(C#N)=C/c1cccc(Cl)c1 1866131138 ZWDCWBKEDXDAGQ-MHWRWJLKSA-N 452.873 4.696 50 10 JJGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1cc(F)ccc1CCl)Cc1ccccc1 1946826174 FMEBWOYJEKAXLA-UHFFFAOYSA-N 461.002 4.887 50 10 JJGE O=C(N[C@@H]1CCC[C@@H]1CCBr)c1cc(Br)sc1Br 2030108879 BFKXILUHIHMWOY-VXNVDRBHSA-N 460.029 4.957 50 10 JJGE O=C(c1scc(Br)c1Br)N1[C@H]2CC[C@@H]1C[C@@H](Br)C2 2037423061 KODQVYDAKPCURZ-WHUPJOBBSA-N 458.013 4.804 50 10 JJGE C[C@H](NC(=O)c1cc(Br)ccc1Br)[C@H]1CCC[C@@H]1Br 2111557898 KVXYHYIQFLOFQD-XRNSZHNASA-N 454.000 4.894 50 10 JJGE FC1(F)CCN(Cc2ccc(I)c(Cl)c2)CC[C@@H]1Br 2142949643 LKSJLUXWDZJKSH-LBPRGKRZSA-N 464.519 4.939 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@H](Br)CC2(CCC2)C1 2151345276 IENKTVSZFXLDKZ-LLVKDONJSA-N 466.011 4.991 50 10 JJGE Cc1c([C@@H](Br)c2cc(Br)cc3c2OCC3)nn(C)c1Br 2168216171 RGCSFXNGLDTBLP-NSHDSACASA-N 464.983 4.673 50 10 JJGE Cc1cccc(C(=O)NCC[C@@H]2CCCC[C@@H]2Br)c1I 2179634758 JAUHAQIPNHDDTD-JSGCOSHPSA-N 450.158 4.673 50 10 JJGE COc1cc(F)c([C@H](Br)c2c(Br)c(C)nn2C)cc1Br 2202903549 GGNKYLAVEAYMJW-LBPRGKRZSA-N 470.962 4.886 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1CCCC[C@H]1Br 2277961462 UMNZHSFHFYZFNT-OLZOCXBDSA-N 454.000 4.576 50 10 JJGE C[C@H]1CC[C@@](CBr)(NC(=O)Cc2cc(Br)cc(Br)c2)C1 2295312227 VKNQQFXNDXRXOB-ZUZCIYMTSA-N 468.027 4.824 50 10 JJGE CC(C)[C@H](CBr)N(C)C(=O)c1ccc(I)c(Br)c1 2318849378 PMHJSXKIOGTGGS-LBPRGKRZSA-N 488.989 4.545 50 10 JJGE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(CC(C)(C)CI)CC2 2326671913 HTMCGQMQPIFSSE-INIZCTEOSA-N 464.432 4.805 50 10 JJGE C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2I)[C@@H]1CBr 2340057661 NRHHTMLYGWJGFS-NOZJJQNGSA-N 456.549 4.580 50 10 JJGE Cn1nc(Br)c(Br)c1[C@@H](Br)Cc1ccc2c(c1)CCO2 2364032168 QTIDWNQPYHPMIZ-JTQLQIEISA-N 464.983 4.559 50 10 JJGE COc1cc(-c2cc(C(=O)NN=Cc3ccc([N+](=O)[O-])cc3)n[nH]2)ccc1OCc1ccc(C)cc1 2364238 LWXOQNNQESBDDL-UHFFFAOYSA-N 485.500 4.645 50 10 JJGE COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1I 12573857 CZMWJAYOJRQJQV-ZVHZXABRSA-N 486.309 4.643 50 10 JJGE Cc1cc(OCC(=O)NNC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc(C)c1Cl 13979772 COWGDOCHMZMOOH-UHFFFAOYSA-N 467.791 4.857 50 10 JJGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)Cc1cccc2ccccc12 14667002 RCLVFJQGTVMJJS-UHFFFAOYSA-N 455.352 4.641 50 10 JJGE C=CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Oc1ccc(Br)cc1 20311292 VUJDXFYBWSWHBH-UMYHVIPVSA-N 482.172 4.694 50 10 JJGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C)cc3)ccc21 38681366 VLEMNGZMHBYATI-MHZLTWQESA-N 470.525 4.986 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC 59483936 IVYRLQNPINZDAW-MHWRWJLKSA-N 476.314 4.943 50 10 JJGE COc1cc(/C=N\NC(=O)Cc2ccc(O)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 169901417 DHGJTBMXLOFZLZ-ZMFRSBBQSA-N 459.329 4.979 50 10 JJGE CCN(/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 216497647 UYVXIHIHICKSPZ-COOPMVRXSA-N 464.613 4.850 50 10 JJGE O=C(NC[C@H]1CCC[C@@H]1CBr)c1cc(Br)sc1Br 232466463 ACJHUIDUKFXKOU-HTQZYQBOSA-N 460.029 4.814 50 10 JJGE O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1cc(-c2cccc(Br)c2)nc2ccccc12 252623878 PBIZVZSALKGSCY-UHFFFAOYSA-N 465.263 4.929 50 10 JJGE aggregator COc1cc2c(cc1NC(=O)CC(C)=NNC(=O)COc1ccc(C)cc1)oc1ccccc12 254489212 CBQGHYPOLLCJML-UHFFFAOYSA-N 459.502 4.803 50 10 JJGE C[C@H]1CCCN(C(=O)c2ccc(Br)cc2Br)[C@@H]1CBr 688677406 ASDKXVAWHFQGSP-TVQRCGJNSA-N 454.000 4.847 50 10 JJGE C[C@@H](Br)[C@H]1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 719786358 JGAXQTXCPXIJDT-SFYZADRCSA-N 466.022 4.550 50 10 JJGE N#Cc1ccc(NC(=S)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1Cl 726436669 FMVUNQJKLOWPLJ-UHFFFAOYSA-N 454.914 4.561 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2ncccn2)c(C)n1-c1cccc2ccccc12 821790139 CWVLBPWTNYKLGX-UQRWVXEISA-N 465.513 4.515 50 10 JJGE COc1cc(C=NNC(=O)c2cc3ccccc3cc2O)ccc1OCc1ccc(C(=O)O)cc1 1084382533 LCVAYAAFCQENBG-UHFFFAOYSA-N 470.481 4.595 50 10 JJGE COc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccc(F)cc1 1772760512 JZHWGULFXNYJPC-UHFFFAOYSA-N 464.522 4.532 50 10 JJGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865692075 AELOGJLORFSVOE-QFIPXVFZSA-N 462.525 4.648 50 10 JJGE COc1cccc(CCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)c1 1865759640 KPEONXAFSYECGH-UHFFFAOYSA-N 458.345 4.766 50 10 JJGE COc1ccc(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)cc1Br 1916335884 WZIMTUULSGGZJR-MRXNPFEDSA-N 471.189 4.510 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Br)c(Br)s2)[C@H](C)C[C@@H]1Br 2032199748 HLJZVTSAQJCXSG-PRJMDXOYSA-N 460.029 4.907 50 10 JJGE O=C(N[C@H]1CCC[C@@H]1CCBr)c1csc(Br)c1Br 2032953310 HFPRPMPFTMGAGN-APPZFPTMSA-N 460.029 4.957 50 10 JJGE CC1(C)[C@@H](CBr)CCN1C(=O)c1csc(Br)c1Br 2034118882 DEBGOCNDQGKZJG-SSDOTTSWSA-N 460.029 4.909 50 10 JJGE COCCCN(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CCl)c1F 2095872721 UXXJDCWWVZEEGN-UHFFFAOYSA-N 464.784 4.554 50 10 JJGE CC(C)(CBr)c1cn(Cc2c(Br)cccc2Br)nn1 2108761414 LEHIALLMZRCANK-UHFFFAOYSA-N 451.988 4.524 50 10 JJGE O=C(N[C@H](CCl)c1cccs1)c1ccc(I)c(Br)c1 2119044731 RVZZLNKOKKGNAT-LLVKDONJSA-N 470.557 4.825 50 10 JJGE C[C@@H](Cl)CCCc1cn(-c2ccc(I)cc2Br)nn1 2132761178 VQIUEEKPXNYVCM-SECBINFHSA-N 454.537 4.584 50 10 JJGE C[C@H]1Cc2cc([C@@H](Br)c3cnn(C)c3Br)cc(Br)c2O1 2146627962 LXTLKWRUPZXCHY-JVXZTZIISA-N 464.983 4.753 50 10 JJGE C[C@@H]1CN(c2ncc(C(F)(F)F)cc2I)[C@H](C)C[C@H]1Br 2149531795 PYJGJWIUGNANFY-NQMVMOMDSA-N 463.079 4.703 50 10 JJGE CC(C)([C@@H]1CCCO1)[C@@H](Br)c1cc(I)cc2c1OCC2 2149609337 IJORMYOWMZGACG-ZFWWWQNUSA-N 451.142 4.867 50 10 JJGE CO[C@@H](COc1c(Br)cc(Br)cc1CBr)[C@@H]1CCOC1 2150288155 QLIBVFGMNQINEF-RNCFNFMXSA-N 472.999 4.537 50 10 JJGE Cc1nc2c(cc1Br)nc(CCl)n2-c1ccccc1I 2153121048 AQOLRVMNRPNPNZ-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE CN(C(=O)c1cc(Cl)ccc1I)C1(CBr)CC(C)(C)C1 2164568735 VEEVZJMFFLCBNJ-UHFFFAOYSA-N 470.576 4.970 50 10 JJGE CC(C)(C)OC(=O)Nc1cccc([S@@](C)(=O)=NC(=O)[C@@H](Br)C2CCCC2)c1 2167034168 VOOPBHDMEPVRDW-RKOGDMNLSA-N 459.406 4.971 50 10 JJGE CC1(C)C[C@H](Cl)C[C@@H](NC(=O)c2ccc(Br)cc2I)C1 2207270672 CVGMPFRQEXRMSF-GHMZBOCLSA-N 470.576 4.970 50 10 JJGE BrCc1ccc(OCCOCCOCCOCc2ccccc2)cc1Br 2227771541 LZGLXHCLYYPCMC-UHFFFAOYSA-N 488.216 4.973 50 10 JJGE Cn1ncc(Br)c1[C@@H](Br)c1c(F)cc(F)c(Br)c1F 2227810530 WJKYWGCGWYLUSO-VIFPVBQESA-N 462.889 4.847 50 10 JJGE Cc1ncc2nc([C@H](C)Cl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2n1 2271087891 HBMRNYJJXFYUPX-IBGZPJMESA-N 461.997 4.906 50 10 JJGE C[C@@H]1OCCO[C@@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272728151 JIMJQKGZABUMML-XWBGKGMUSA-N 464.926 4.730 50 10 JJGE O=C(N[C@@H](CBr)c1ccccc1)c1ccc(Cl)c(I)c1 2283650998 COSIGJGKXAHNQH-AWEZNQCLSA-N 464.528 4.811 50 10 JJGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)NC)cc1 2314593593 PSCXNKGBCGWQMI-LJQANCHMSA-N 476.385 4.564 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2cccc(C)c2)c(OC)c1 2314785805 OKNNNXVHAZLONS-UHFFFAOYSA-N 450.535 4.592 50 10 JJGE O=S(=O)(N[C@@H](CCCl)COCc1ccccc1)c1ccc(Br)cc1Cl 2320666122 QMVPNXUVSOTRFA-HNNXBMFYSA-N 467.212 4.595 50 10 JJGE FC(F)(F)[C@@H]1[C@H](Br)CCCN1c1ncc(Br)cc1Br 2344085002 RYQCQLIMJLWDQL-APPZFPTMSA-N 466.921 4.901 50 10 JJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2cc(Cl)ccc2I)[C@@H]1C 2344521055 RJPHJQQHVIAZJG-SBMIAAHKSA-N 456.549 4.579 50 10 JJGE C[C@@H](Br)CCCc1cn(Cc2ccc(Cl)cc2I)nn1 2366711338 IECUGVUTZLUVKR-SNVBAGLBSA-N 468.564 4.691 50 10 JJGE CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@@]3(CBr)CC3(F)F)C2)CC1 2379985919 LYHWTXTUHNUOLZ-APWZRJJASA-N 451.396 4.766 50 10 JJGE Cc1sc2ncn(CC(=O)N/N=C/c3ccc(Cl)cc3Cl)c(=O)c2c1-c1ccccc1 1783875 FOAVMJWCVKRUTE-NSKAYECMSA-N 471.369 4.891 50 10 JJGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 14034398 KWZUGZFNPIGPGC-UHFFFAOYSA-N 475.614 4.579 50 10 JJGE Cc1cc(Cl)ccc1Nc1ncnc(NNC(=O)c2ccc(Br)cc2)c1[N+](=O)[O-] 40590597 BWITTYXFQOGBSM-UHFFFAOYSA-N 477.706 4.610 50 10 JJGE CCCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl 48572932 STSJCRKRMPMWHR-LSHDLFTRSA-N 473.154 4.634 50 10 JJGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 59517413 BSPPCVCLQGHRFB-UFFVCSGVSA-N 483.487 4.615 50 10 JJGE COc1cc(/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 101336352 KIZHGUSNWHXSOD-HYARGMPZSA-N 492.547 4.821 50 10 JJGE Cc1nn(C)c(CC(CBr)(CBr)c2ccccc2)c1Br 118876611 HFGXGNBEHXTDBP-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)NC[C@H]2CCCC[C@H]2Cl)cc1Br 155822039 JUOURLVJCZVDPB-ZWNOBZJWSA-N 459.631 4.596 50 10 JJGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C)s3)nnc2-c2ccccc2)cc1 254442555 CTHYWSACYRUYLD-UHFFFAOYSA-N 477.615 4.945 50 10 JJGE CCC(CBr)(CBr)NC(=O)c1ccccc1OCc1ccccc1 310280980 PNYCSGOYPRPHMY-UHFFFAOYSA-N 455.190 4.934 50 10 JJGE CC(C)(C)OC(=O)NCCN1CCN[C@H](c2ccccc2CCO[Si](C)(C)C(C)(C)C)C1 616600975 DSPOPNSXYRCCCA-QFIPXVFZSA-N 463.739 4.722 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc([N+](=O)[O-])cc2F)C1 725415523 LOYXCHAQUPJGKD-RHSMWYFYSA-N 484.265 4.521 50 10 JJGE CC1CCN(c2ccc(CNC(=O)NNC(=O)c3ccccc3OCc3ccc(F)cc3)cc2)CC1 731119743 KFIHJVLJIOFRMN-UHFFFAOYSA-N 490.579 4.785 50 10 JJGE O=C(NN=Cc1cccc(OCc2ccccc2)c1)c1cccc(I)c1 1084390104 QSVBLRSKUBWLBO-UHFFFAOYSA-N 456.283 4.634 50 10 JJGE Cc1ccc(N(CC(=O)NN=Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084405827 KKAVORKVEANPQJ-UHFFFAOYSA-N 476.385 4.647 50 10 JJGE C/C(=C\C(=O)NNC(=O)[C@H](C)Oc1c(C)cc(Cl)cc1C)c1ccccc1OC(F)F 1538419711 SPKYKUSGCZIPGO-RUMSDORHSA-N 452.885 4.576 50 10 JJGE CCN(CC)c1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)cc1 1614701391 DBZPUORFQRLSHN-WMZOPIPTSA-N 458.384 4.918 50 10 JJGE CCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc([N+](=O)[O-])c2)CCC3)cc1 1772745821 ITSIIUPTVVQNDD-UHFFFAOYSA-N 476.489 4.618 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1c(Cl)cccc1Cl 1865685330 HCWAWSSNMVCOKV-CYBMUJFWSA-N 452.223 4.811 50 10 JJGE CCN1C(=O)COc2ccc(/C(C)=N/NC(=O)c3ccc(-c4ccc(Cl)cc4)nc3C)cc21 1865763172 YNXDWZAZMMFXAB-RWPZCVJISA-N 462.937 4.610 50 10 JJGE C=CC[C@](C)(CBr)CNC(=O)c1csc(Br)c1Br 2082051271 ZSGILVRLFIABPG-GFCCVEGCSA-N 460.029 4.980 50 10 JJGE CCN(C[C@@](C)(CI)OCc1cc(F)cc(F)c1)C(=O)OC(C)(C)C 2083847395 JOPBHXUJZZNTKW-GOSISDBHSA-N 469.310 4.932 50 10 JJGE C[C@H]1C[C@@H](Br)[C@H](C)CN1C(=O)c1c(Br)cccc1Br 2094100668 UNRTXMUARBRCDU-VDDIYKPWSA-N 454.000 4.846 50 10 JJGE CC[C@H]1CN(S(=O)(=O)c2cc(CCl)sc2Br)CCN1Cc1ccccc1 2095818449 ILNNQDLLISONLO-HNNXBMFYSA-N 477.877 4.535 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CC2(CC[C@@H]1CCl)CC2 2154164750 WDUGHBYPUPWVGH-LLVKDONJSA-N 468.560 4.677 50 10 JJGE CC[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)c(OC)c(OC)c1 2179826978 ZLFTWCVTLXGYBR-OAHLLOKOSA-N 456.402 4.588 50 10 JJGE Brc1ccccc1[C@H](CI)OCC12CCC(CC1)OC2 2203669922 OQMYSPKIGNHHKR-NRAUKZCXSA-N 451.142 4.901 50 10 JJGE CC(C)(C)OC(=O)N[C@H](C[S@@](C)(=O)=NCCCCCI)C(C)(C)C 2214696551 MXDWCPKAAYSQNN-JBEBIEQOSA-N 474.449 4.629 50 10 JJGE O=C(NCCCCCCI)c1scc(Br)c1Cl 2246436101 RGHUKFGATSCTAZ-UHFFFAOYSA-N 450.567 4.889 50 10 JJGE COc1ccc(CCN2C(=O)C(=CNc3ccccc3C(=O)c3ccccc3)C(C)=C(C#N)C2=O)cc1 2314585891 ZXADTXDBHKBOJH-UHFFFAOYSA-N 491.547 4.674 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OC)c1OCc1ccc(F)cc1 2328821119 FWUCTRBHQFNRNX-JTSKRJEESA-N 487.572 4.803 50 10 JJGE CC(C)[C@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1)N1C(=O)c2ccccc2C1=O 2331331063 RVVPAAKMRHKLMH-JOCHJYFZSA-N 487.537 4.695 50 10 JJGE CC(C)(C)OC(=O)N1CCC([S@@](C)(=O)=NC[C@@](C)(CBr)C(C)(C)C)CC1 2352109000 AFZVESDVVPHHLX-NIYFSFCBSA-N 453.487 4.931 50 10 JJGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(Cl)c(C)c1 14768285 ZXRZZAGGPMOYQZ-HSZRJFAPSA-N 452.938 4.699 50 10 JJGE COc1ccc(C=NNC(=O)c2ccccc2Br)cc1COc1ccc(F)cc1 15933941 JSCHIXRNMDYICD-UHFFFAOYSA-N 457.299 4.940 50 10 JJGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc1 19849995 YKZGPQLVWAIGRS-UHFFFAOYSA-N 464.978 4.989 50 10 JJGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3C)ccc21 38650463 GKXWUBBIWXVEJU-AREMUKBSSA-N 456.498 4.596 50 10 JJGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Br)cc1 38651575 BHVZNOVCHSKGAX-JOCHJYFZSA-N 477.314 4.895 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)nc1 40823312 VTMIQQFFLKSRMC-KNBZMSCYSA-N 494.367 4.533 50 10 JJGE CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 48573032 BVUHPMQCAPIFGY-YZSQISJMSA-N 485.009 4.751 50 10 JJGE C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(N(C)C)cc2)cc1OC 59433667 DZSQBBQXQGBECD-LFIBNONCSA-N 456.340 4.634 50 10 JJGE O=S(=O)(Nc1ccc(CCBr)cc1)c1ccc(Br)cc1Cl 136854414 OQPXDXJUCGGTIG-UHFFFAOYSA-N 453.583 4.841 50 10 JJGE O=C(N[C@@H]1CCCC[C@H]1CBr)c1cc(Br)ccc1Br 231618097 YGMMETOICYOZRE-TVQRCGJNSA-N 454.000 4.895 50 10 JJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cccc4ccccc34)cc2)cc1OC 254306917 CKEFXYXKGUPPHE-UHFFFAOYSA-N 454.482 4.840 50 10 JJGE CCOc1cc(C=NNC(=O)COc2cc(C)cc(C)c2)ccc1OC(=O)c1ccc(C)cc1 254450874 PIFSXEYCXIEFCS-UHFFFAOYSA-N 460.530 4.759 50 10 JJGE Cc1cnc2c(c1)nc(CCl)n2-c1cc(I)ccc1Br 312302181 USUFKAASZXHOHO-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE CC(C)(C)[Si](O[C@@H]1CC[C@@H]2[C@@H]1OCC(=O)N2Cc1ccccc1)(c1ccccc1)c1ccccc1 503863510 KFRMICKYMZONRP-QQJNOOCOSA-N 485.700 4.522 50 10 JJGE C[C@H]1C[C@@H](CBr)CN(c2ncc(C(F)(F)F)cc2I)C1 686109246 RMRAODOFUHBWIW-IUCAKERBSA-N 463.079 4.562 50 10 JJGE C[C@H](CCCBr)CNC(=O)c1ccc(I)c(Br)c1 721576738 IDPOXPKWBJUMDW-SECBINFHSA-N 488.989 4.595 50 10 JJGE CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)cc1 725429882 ZEGFSTBVRXTYGZ-UHFFFAOYSA-N 495.579 4.657 50 10 JJGE Cc1nccn1-c1ccccc1CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 748720495 HGBICZNFKXGTBB-JCMHNJIXSA-N 495.974 4.835 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CCl)[C@H](c2ccc([N+](=O)[O-])cc2Br)C1 1614641276 FUNHXRCDIIBPMN-WMLDXEAASA-N 453.720 4.948 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)c(C)c1 1772747189 MFNLXOJJKNQWJN-UHFFFAOYSA-N 474.517 4.765 50 10 JJGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)cc1 1772751406 QLPZVVKLSFSHRG-UHFFFAOYSA-N 497.507 4.612 50 10 JJGE CCCc1nn(CC(C)C)c2c1[C@@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865697008 NAAIPFIPZCLKDW-IBGZPJMESA-N 489.414 4.880 50 10 JJGE N#C/C(=C\c1ccccc1)C(=O)Nc1ccc(Br)cc1I 1865911546 QSKMJNITTUSZNR-XYOKQWHBSA-N 453.077 4.599 50 10 JJGE CC[C@H](N)Cc1cc(Br)c(OC[C@@H]2C[C@H]2Br)c(Br)c1 1887907656 IFACXYNAXRBWKJ-GARJFASQSA-N 456.016 4.654 50 10 JJGE CCOc1c(Br)cc(CNCC2CC(Br)C2)cc1Br 1887916329 GBZLMNXBMLTFNS-UHFFFAOYSA-N 456.016 4.873 50 10 JJGE CC1(C)CN(C(=O)c2cc(Br)c(Br)s2)C[C@H]1CBr 1914528774 LDUQUGYWUKPLLJ-SSDOTTSWSA-N 460.029 4.766 50 10 JJGE CCC(CBr)(CBr)NC(=O)c1cc(Br)c(Cl)s1 2004901919 FSRBECYBNUGROH-UHFFFAOYSA-N 468.436 4.832 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@@H](CBr)C2(CC2)C1 2032958596 HXGLTIWIGNNGRR-SSDOTTSWSA-N 458.013 4.520 50 10 JJGE CCCN1CC[C@@H]([C@@H](Br)c2cc(Br)c(Br)s2)S1(=O)=O 2089534983 IXFKHGVELBVKOR-UWVGGRQHSA-N 496.084 4.523 50 10 JJGE CSCC[C@H](Cl)CCNC(=O)c1ccc(I)c(Br)c1 2090385580 RPJXYYHCEWUMPA-SNVBAGLBSA-N 476.605 4.534 50 10 JJGE C[C@H]1CN(Cc2c(Br)cccc2Br)C[C@@H](CCBr)O1 2122794714 OSFCQLUKRIDYTD-WDEREUQCSA-N 456.016 4.586 50 10 JJGE COC[C@]12C[C@]([C@H](Br)c3ccc(Br)cc3Br)(CO1)C2 2141166903 UJQXHAFPDLROQF-MGPQQGTHSA-N 454.984 4.843 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1CN(CC2(CBr)CCCCC2)C[C@H]1C(F)(F)F 2163058089 HSVSLPYGTUIINH-LSDHHAIUSA-N 457.375 4.967 50 10 JJGE CC(C)(C)OC(=O)Nc1ccc([S@@](C)(=O)=NCC2(CBr)CCOCC2)cc1 2163063627 QPWJKMBWBFLBLN-HHHXNRCGSA-N 461.422 4.682 50 10 JJGE CN(C1(CBr)CC(C)(C)C1)S(=O)(=O)c1cc(Cl)c(Br)s1 2164587553 LNIGMQYCQNKOAL-UHFFFAOYSA-N 465.660 4.738 50 10 JJGE Cc1ccccc1C(CBr)(CBr)Cc1cc(Br)n(C)n1 2168209004 BNKXWRPXTFETGN-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1C[C@@H](Br)C2(CCCC2)C1 2174368078 HYQRDXWMXCDUBR-CYBMUJFWSA-N 468.560 4.724 50 10 JJGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)c(Cl)c1 2179776526 VLZCABYVWSAULA-GOSISDBHSA-N 471.848 4.520 50 10 JJGE COC[C@@](C)(CC(CBr)(CBr)c1cccc(Br)c1)OC 2198252649 NYVPLFQWFWPWQJ-CQSZACIVSA-N 473.043 4.918 50 10 JJGE O=C1Cc2cc([C@H](Cl)c3ccc(Br)cc3I)ccc2N1 2207270898 FFQXMYWXLDVLSQ-HNNXBMFYSA-N 462.512 4.877 50 10 JJGE O=C(c1ccc(Br)cc1I)N(CCCl)c1ccccc1 2207276078 SFUIVXJXDXLLML-UHFFFAOYSA-N 464.528 4.939 50 10 JJGE Cc1ccc(C(=O)NC[C@H]2CCC[C@H](CBr)C2)cc1I 2232828946 STFSIBWZVITQRB-STQMWFEESA-N 450.158 4.531 50 10 JJGE CCCOc1c(I)cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc1OC 2313518562 JDXYBJGZKLZTND-UHFFFAOYSA-N 476.314 4.943 50 10 JJGE CNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C)c(C)c1 2314593217 JSZAXAUDEBWDPQ-LJQANCHMSA-N 460.386 4.783 50 10 JJGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593377 MCPNOIMKLNEEQC-XMMPIXPASA-N 487.556 4.577 50 10 JJGE FC(F)(CI)C(F)(F)CNc1ncc(Cl)cc1Br 2314938737 RMOCNSRUYVJZOE-UHFFFAOYSA-N 461.422 4.615 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](OCCCCC(F)(F)C(F)(F)F)[C@H](I)C1 2315799081 JNWNFPSHOHMJMB-MNOVXSKESA-N 487.247 4.794 50 10 JJGE CCc1ccc([C@H](C)NC(=O)C(C#N)=CNc2ccc(I)cc2C)cc1 2325098829 RGGVWLWSXRJECX-HNNXBMFYSA-N 459.331 4.859 50 10 JJGE BrC[C@@]1(Cc2ccc(I)c(Br)c2)C[C@]12CCOC2 2325236835 LHCJKQKMIWGGLV-UONOGXRCSA-N 485.985 4.788 50 10 JJGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OCc2ccc(F)cc2)c1 2328826204 YKZXDKQZKXMVOZ-NRFANRHFSA-N 475.586 4.501 50 10 JJGE COc1cc(C(=O)NCC(O)=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc(OC)c1OC 2331346561 AJLDJBNAQRKZFA-UHFFFAOYSA-N 490.541 4.540 50 10 JJGE CN(Cc1ccc(I)cc1)c1ccnc(Cl)c1CBr 2344713185 SHKFYZJFEKFUBR-UHFFFAOYSA-N 451.533 4.871 50 10 JJGE O=C(c1cc(Br)sc1Br)N(CCCBr)C1CCOCC1 2381010072 BELYEHRMNXCQST-UHFFFAOYSA-N 490.055 4.679 50 10 JJGE O=C(NNC(=O)c1cccc(OCCc2ccccc2)c1)c1ccc(NC(=O)C2CCCCC2)cc1 10331524 KXOSBGRMVBBXFV-UHFFFAOYSA-N 485.584 4.902 50 10 JJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1 14653088 PZELQVIPHGSEKY-MRXNPFEDSA-N 477.399 4.837 50 10 JJGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)cc(OC)c1OC 38651182 XUGSONKAKVFKEK-QHCPKHFHSA-N 492.915 4.803 50 10 JJGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2OC)cc1 38657002 KNSYRIDTSRZEJV-AREMUKBSSA-N 484.508 4.706 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccco1 38657330 ISZGGRXWRDPWFC-OAQYLSRUSA-N 457.269 4.789 50 10 JJGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccccc2C)c1 39992895 NMXSTEBYFMXUCN-HMMYKYKNSA-N 450.498 4.958 50 10 JJGE Cc1ccc2c(Nc3ncnc(NNC(=O)c4ccc(Cl)cc4Cl)c3N)cccc2n1 40793540 ZKSDOHIYWAXSNP-UHFFFAOYSA-N 454.321 4.723 50 10 JJGE Cc1c(C(=O)NCc2cccnc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813680 CTINLSZJCGVLRM-MTDXEUNCSA-N 471.344 4.690 50 10 JJGE Cc1cc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(I)c2)c(C)o1 59166324 NLGWMOOCRQATBG-BRJLIKDPSA-N 499.308 4.716 50 10 JJGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(C(=O)O)cc1 59304927 AKJFRZWEHUFPQN-JFLMPSFJSA-N 458.470 4.873 50 10 JJGE CC(C)([C@H](Br)c1cc(Br)sc1Br)S(C)(=O)=O 69716369 NPMHELSWUVUNCE-SSDOTTSWSA-N 455.031 4.532 50 10 JJGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N2CCOCC2)cc1 95925420 GGETULYJKSLRDT-HEHNFIMWSA-N 458.587 4.807 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 143551642 AZBZPRFEFCPULP-HSZRJFAPSA-N 450.498 4.775 50 10 JJGE C=CCOc1ccc(Br)cc1C=NNC(=O)c1cc(Br)ccc1OC 252595356 CAEKMJXZFZYHKY-UHFFFAOYSA-N 468.145 4.549 50 10 JJGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cn(C)c3ccccc23)cc1 254348007 RZSOJGHLCNESNU-PQGZKPSZSA-N 493.611 4.946 50 10 JJGE COc1ccc(C=NNC(=O)Cc2ccc(F)cc2)cc1COc1ccc(C(=O)OCC(C)C)cc1 254487714 IBXKIYUOHVJGJR-UHFFFAOYSA-N 492.547 4.919 50 10 JJGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)c(OC)c1 254578633 VXNPATHHXFEJMC-UHFFFAOYSA-N 487.585 4.502 50 10 JJGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OC(C)C 256028555 URFXTNKROXBALR-UHFFFAOYSA-N 456.593 4.633 50 10 JJGE CCN(C(=O)c1cc(I)ccc1Br)C(C)(C)CBr 688359975 FOWJKWXBZQDLMA-UHFFFAOYSA-N 488.989 4.689 50 10 JJGE CC[C@H](C[C@H](C)Br)NS(=O)(=O)c1cc(Br)c(C)cc1Br 716933557 HGJTXEZPNGQLME-VHSXEESVSA-N 492.071 4.750 50 10 JJGE O=C(NC[C@H]1CCCC[C@@H]1CCl)c1ccc(I)c(Br)c1 721572653 MLYLJOXQZGMOQL-VXGBXAGGSA-N 470.576 4.829 50 10 JJGE COc1cc(C(=O)NN=C2C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc(OC)c1OC 1084644881 MBOAUNBZHOWJKV-UHFFFAOYSA-N 495.535 4.547 50 10 JJGE CC#CC[C@@H](CO)NC(=O)Nc1cc(Br)ccc1CO[Si](C)(C)C(C)(C)C 1672213318 HQWONEJDUSHVMZ-KRWDZBQOSA-N 455.469 4.867 50 10 JJGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772744488 VTLATYFTMQCHRZ-UHFFFAOYSA-N 485.028 4.751 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865683235 BBCDLHBKMLCVQE-QHCPKHFHSA-N 468.488 4.670 50 10 JJGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865700195 MSSQXTFTOMGUFV-QHCPKHFHSA-N 460.497 4.642 50 10 JJGE CCCC[C@H](NC(=O)C[C@@H](c1ccccc1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867032143 VSLQIBPTAFGGNY-VXKWHMMOSA-N 477.590 4.787 50 10 JJGE N#C/C(=C(/O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2cccc(Cl)c2)cs1 1872748049 FUVHGMAXYDDWLW-SDXDJHTJSA-N 480.889 4.851 50 10 JJGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@@H]1C[C@H]1Br 1877422035 ZCECJQJKFICQIQ-PBNUPURSSA-N 485.422 4.792 50 10 JJGE CC[C@]1(C)[C@@H](NCCSSCCNC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 1900190803 NATWJQJXNYEPSF-HRAATJIYSA-N 463.710 4.660 50 10 JJGE O=C(NCC[C@@H]1CCC[C@@H]1Cl)c1ccc(I)c(Br)c1 1913729592 SLVNRYLELYRAOE-CABZTGNLSA-N 456.549 4.581 50 10 JJGE O=S(=O)(C1CC(OCc2ccccc2)C1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1958928338 MWGGVLSYDBQJNO-XPPIMPSXSA-N 478.452 4.740 50 10 JJGE O=C(NC[C@@H](CBr)C1CCC1)c1csc(Br)c1Br 2032955563 ALWJUVHXOMRBDC-MRVPVSSYSA-N 460.029 4.814 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H]2CC[C@]2(CBr)C1 2078144326 AJKWYIHNFQZVAR-KRTXAFLBSA-N 458.013 4.520 50 10 JJGE Clc1cc(CN2CCS[C@H](CCBr)C2)ccc1I 2086658830 QPMZFFQEICBXDK-LLVKDONJSA-N 460.606 4.647 50 10 JJGE C[C@H]1C[C@H](Br)CCN(C(=O)c2c(Br)cccc2Br)C1 2103292265 NKVPPFBHVKCEDD-VHSXEESVSA-N 454.000 4.847 50 10 JJGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Cl 2123200627 KMMFBQYCVSEWOD-UHFFFAOYSA-N 460.821 4.851 50 10 JJGE C[C@]1(CBr)CC(F)(F)CN1C(=O)c1cc(Cl)ccc1I 2159048087 ASKHYRNGSVQZCI-GFCCVEGCSA-N 478.502 4.579 50 10 JJGE O=C(NCC[C@H]1CCCC[C@@H]1Cl)c1cc(Br)ccc1I 2179635071 AXJSBGIRBNGZOV-MFKMUULPSA-N 470.576 4.971 50 10 JJGE Brc1ccccc1[C@H](CI)O[C@@H]1CCN2CCC[C@H]2C1 2199476482 SDZCWNJRGAOEAW-ZENOOKHLSA-N 450.158 4.569 50 10 JJGE Cc1cc(Br)c(C)c([C@H](Br)C2[C@H]3CS(=O)(=O)C[C@H]23)c1Br 2201079329 RTALCXQFTPYDAA-FZNYLWTLSA-N 487.051 4.555 50 10 JJGE CCC[C@@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@H]1CCl 2207268729 VKPIOJOWTOMSSS-GHMZBOCLSA-N 470.576 4.781 50 10 JJGE CS(=O)(=O)[C@H]1C[C@H]([C@H](Br)c2sc(Br)cc2Br)C1 2249067389 HGYDAUACWZEEND-WATHFIQWSA-N 467.042 4.532 50 10 JJGE CC1CC(CBr)(CN=[S@](C)(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)C1 2265306476 SFCAFVXLYGXEFF-YZCBRMSXSA-N 453.487 4.835 50 10 JJGE N#CC(C(=O)N1CCCCC1)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 2296507209 YJZKRPXAGWIEHK-NRFANRHFSA-N 496.430 4.888 50 10 JJGE BrC[C@H]1CCCCN1Cc1ccc(I)c(Br)c1 2306217666 RXVRGZKFTWYOEL-LLVKDONJSA-N 472.990 4.803 50 10 JJGE CCc1ccccc1NC(=O)C(C#N)=Cc1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 2313565137 USAFRELVVYMBAP-UHFFFAOYSA-N 457.486 4.599 50 10 JJGE COc1cc(Br)c(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 2313631002 ZHGMMUFHDWNYKW-UHFFFAOYSA-N 472.364 4.824 50 10 JJGE N#CC(=Cc1ccc(OC(=O)CCCOc2ccc(Cl)cc2)cc1)C(=O)NCc1ccco1 2314760388 OCDFUVGILPAYAY-UHFFFAOYSA-N 464.905 4.921 50 10 JJGE CSCC[C@@H](Cl)CCNCc1ccc(I)c(Br)c1 2325207505 PWVXSNZFNFOZDU-NSHDSACASA-N 462.622 4.894 50 10 JJGE N#CC(=CNc1cccc(S(=O)(=O)O)c1)C(=O)Nc1ccccc1Sc1ccccc1 2325331659 FDRYITZJVUJXNT-UHFFFAOYSA-N 451.529 4.543 50 10 JJGE O=C(N[C@H]1CC[C@@H]2C[C@]12CBr)c1cc(Br)ccc1Br 2331771777 HBGKQBNDRJQMAG-CWONEXCFSA-N 451.984 4.505 50 10 JJGE CC1([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)CS(=O)(=O)C1 2337098101 PAIISBHPIAHXDB-SNVBAGLBSA-N 454.970 4.719 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCc2cccc(CC(F)(F)F)c2)C1 2353124627 UWOVQCAYTWRHPS-GJZGRUSLSA-N 485.284 4.731 50 10 JJGE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCCN(C[C@]2(CBr)CC2(F)F)C1 2379984801 DFTUDVPWLABUHN-GPMSIDNRSA-N 451.396 4.908 50 10 JJGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1sc2ccccc2c1Cl 14031733 RASHAGAKZLYWAP-ZDUSSCGKSA-N 484.002 4.811 50 10 JJGE CC(C)COc1ccccc1C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14035021 QKZBAMNDSNYBKN-UHFFFAOYSA-N 477.399 4.621 50 10 JJGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 14643313 NUKZVPWSZWLLMY-SFHVURJKSA-N 497.389 4.727 50 10 JJGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1C 14768804 VLJYWPMMNFERGG-QFIPXVFZSA-N 497.389 4.808 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1 38606086 WFIOJSDSQVROJG-KOEQRZSOSA-N 496.567 4.567 50 10 JJGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)ccc2OC)c1 38659909 JJHGPVZBQZESNM-RUZDIDTESA-N 472.497 4.540 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCCC)cc2)c(OC)c1 40971017 VZRBLKFTRCCAFC-BUJGOANSSA-N 462.546 4.926 50 10 JJGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1c[nH]c2ccccc12 58988921 DCZHRGAHKLPNEI-RDRPBHBLSA-N 480.597 4.776 50 10 JJGE COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OC)c(COc3ccc(Cl)cc3)c2)c1 59120158 JJJVNWPBHKKLTJ-VULFUBBASA-N 454.910 4.709 50 10 JJGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1 206728060 GPYLMEGJYJSOCN-OZKZUFLSSA-N 481.508 4.804 50 10 JJGE N#C/C(=C/Nc1ccc(I)cc1)C(=O)Nc1cccc2c(O)cccc12 217076021 KRQXJWRHTRGISB-SEYXRHQNSA-N 455.255 4.608 50 10 JJGE CC(C)(C)C[C@@H](Br)CNS(=O)(=O)c1cc(Br)ccc1Br 226266932 ZQKBJQJTJBQZNK-SNVBAGLBSA-N 492.071 4.690 50 10 JJGE CC[C@@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C)c1ccccc1OCC(=O)NC 917729370 FAJGCVLMQRDELI-KQQLFIIESA-N 488.563 4.533 50 10 JJGE CCN(CC)c1ccc(C=NNC(=O)COc2ccc(C(C)C)cc2Br)c(O)c1 1083923313 LBTXDMXNUSRSLE-UHFFFAOYSA-N 462.388 4.653 50 10 JJGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1cccc2ccccc12 1084028652 WAKGWIOOHHUMQV-UHFFFAOYSA-N 492.000 4.834 50 10 JJGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1cccc(Cl)c1 1084513429 PIZHZFXPDJJPIZ-UHFFFAOYSA-N 476.005 4.948 50 10 JJGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751407 BCGGTEHTVGHSIL-UHFFFAOYSA-N 482.334 4.779 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc(Cl)c1O 1865707566 ZVBGNJVMQVUFGY-INIZCTEOSA-N 476.842 4.785 50 10 JJGE Cc1ccc(COc2ccccc2/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1 1873795098 RIFGVFOYJSNBNB-PSZYXBCASA-N 453.583 4.964 50 10 JJGE CN(CCOCc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2059313813 BJBIAIAEOYWKSJ-UHFFFAOYSA-N 467.212 4.726 50 10 JJGE COCC12CC([C@@H](Br)c3sc(Br)cc3Br)(CO1)C2 2085225341 BRRBDLWCMXXCRX-UNXYVOJBSA-N 461.013 4.905 50 10 JJGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1ccc(CCl)c(Br)c1 2096846083 PCQFPGXGZIGHQS-UHFFFAOYSA-N 460.821 4.805 50 10 JJGE O=S1(=O)CCc2cc([C@H](Br)c3cc(Br)c(Cl)s3)ccc21 2170067574 OETWJRDPGUGLGL-LBPRGKRZSA-N 456.608 4.978 50 10 JJGE CC(C)(C)[C@H]1[C@H](Br)CCN1C(=O)c1cc(Cl)ccc1I 2185101072 VTNVDKZGSQLWHA-DGCLKSJQSA-N 470.576 4.969 50 10 JJGE C[C@H](Cl)c1nc2cc(I)ccc2n1C[C@H]1COCCN1Cc1ccccc1 2194649442 MOJLCKRMOWVJHN-YJBOKZPZSA-N 495.792 4.842 50 10 JJGE Cc1ccccc1[C@@H](CI)OCCOCCOCCOCc1ccccc1 2236089961 VCYOWDCKJUJFEB-JOCHJYFZSA-N 484.374 4.738 50 10 JJGE FC(F)OC1CC(CO[C@@H](CI)c2ccccc2Br)C1 2238472336 JINMQDGMKJTBFW-ZPPKWKGLSA-N 461.084 4.960 50 10 JJGE CC(C)(C)OC(=O)N1CC(N(CCCCI)CC2CCCCC2)C1 2248244306 FGDYRHMRVJNKLK-UHFFFAOYSA-N 450.405 4.703 50 10 JJGE Cc1ccc(CCO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)cc1 2263402264 NVNHMRKHMUNSIA-FQEVSTJZSA-N 459.368 4.759 50 10 JJGE O=C(N[C@]1(CBr)C[C@H]2CC[C@H]1C2)c1ccc(Cl)c(I)c1 2283914422 VRNZRDIFCQBUDJ-ZSGNIPIJSA-N 468.560 4.628 50 10 JJGE COc1ccc(C=C(C#N)c2nc(O)c3cc(Br)ccc3n2)cc1Br 2293858454 ZHSFMXFKONTAMV-UHFFFAOYSA-N 461.113 4.933 50 10 JJGE BrC[C@H]1CCCN(Cc2ccc(I)c(Br)c2)C1 2306219583 NUURJIZNEIYDFF-LLVKDONJSA-N 472.990 4.661 50 10 JJGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NCc2ccco2)c1 2314436815 IRXMOJNXQUJEGW-UHFFFAOYSA-N 468.513 4.735 50 10 JJGE COCCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)C(C)=C(C#N)C1=O 2314618378 MKXWCYJXRRAKEI-UHFFFAOYSA-N 450.922 4.548 50 10 JJGE COc1ccc(Cc2nc3ccc(C(=O)NN=Cc4c(C)n(C)c5ccccc45)cc3[nH]2)cc1 2323720980 AJTKMOQPCAGBFN-UHFFFAOYSA-N 451.530 4.726 50 10 JJGE N#CC(=Cc1cc(Br)cc(Br)c1O)S(=O)(=O)c1ccc(Cl)cc1 2331030595 NBRLBJJGPZLBBA-UHFFFAOYSA-N 477.561 4.909 50 10 JJGE C[C@@H]1C[C@@H](Br)CCN(C(=O)c2ccc(Cl)cc2I)C1 2340065935 NRCDONANYFGNGH-ZJUUUORDSA-N 456.549 4.580 50 10 JJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2cccc(C)c2)cc1Br 14641110 AEWAWQXQQZAFBR-UHFFFAOYSA-N 492.439 4.666 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)c(OC)c1 38657091 YFIASHPOFNZOQP-HHHXNRCGSA-N 486.524 4.523 50 10 JJGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)c1 38658589 XPBOIDNYTDNATA-RUZDIDTESA-N 472.497 4.540 50 10 JJGE Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3)nc3c(C)cccn3c2=O)cc1C 39992813 QMEIGYXSQWRQPT-HMMYKYKNSA-N 450.498 4.958 50 10 JJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C(\C)c1ccc(C)cc1 59261293 PTVNKSXIJVIQCH-YZSQISJMSA-N 469.014 4.671 50 10 JJGE CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1Br 59303626 JTEUIABXKKNINK-AUEPDCJTSA-N 479.714 4.555 50 10 JJGE CC(=O)N1c2ccc(Br)cc2[C@@](C)(Br)[C@H](Br)C1(C)C 59500807 KMIRVZDNLKTFKA-TZMCWYRMSA-N 454.000 4.968 50 10 JJGE COc1cc(OC)c([C@H](Br)c2cccc(I)c2)c(OC)c1 109849257 BJPLSEHAQPTDPH-MRXNPFEDSA-N 463.109 4.801 50 10 JJGE COc1ccc(Cc2nc3cc(C(=O)N/N=C\c4cccc(OCC(C)C)c4)ccc3[nH]2)cc1 169925578 LIMHFIKNRMLCQR-NTFVMDSBSA-N 456.546 4.961 50 10 JJGE C=CCc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)c1O 252636378 XIQPFXDUELNRKF-UHFFFAOYSA-N 499.596 4.619 50 10 JJGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3cccc(C)c3)nnc2-c2ccccc2)cc1 254289924 GGUBJNSNCNECSZ-UHFFFAOYSA-N 471.586 4.884 50 10 JJGE CN1Cc2cc([C@H](Br)c3sccc3I)ccc2NC1=O 312943693 QDJLSTFUWNJMNJ-LBPRGKRZSA-N 463.138 4.814 50 10 JJGE CC1(C)C[C@H](Cl)CCN(C(=O)c2cc(Br)ccc2I)C1 395364900 YQOOPOWAQQRSLF-LLVKDONJSA-N 470.576 4.923 50 10 JJGE O=S(=O)(NC1(CCBr)CCCC1)c1cc(Br)ccc1Br 687284143 WSMCYGCFJUEYLX-UHFFFAOYSA-N 490.055 4.588 50 10 JJGE C[C@@H]1CC[C@H](CBr)CN1C(=O)c1cc(Br)ccc1Br 688703823 DHPHEKNFGOUWCY-NXEZZACHSA-N 454.000 4.847 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1 725434166 AKAWZGXFTFSQES-OAQYLSRUSA-N 470.909 4.661 50 10 JJGE C[C@@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)C(=O)Nc1cccc(Cl)c1 761380721 CNIQWISGYGVESW-HNMKQIAWSA-N 473.920 4.595 50 10 JJGE CC(C)c1ccc([C@H](NC(=O)NNC(=O)c2cc(Br)c[nH]2)c2cccs2)cc1 913627825 AVLQCHHLDYHIQE-SFHVURJKSA-N 461.385 4.696 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)C2CCCCC2)c(-c2ccc(Cl)cc2)n1 913973090 GOIHSDMNTFPZSM-CPNJWEJPSA-N 450.926 4.717 50 10 JJGE COc1ccc(Br)cc1C=NNC(=O)COc1ccc(OCc2ccccc2)cc1 1083940798 FDZPTRXDSLCESA-UHFFFAOYSA-N 469.335 4.566 50 10 JJGE COc1cc(Cl)c(C=NNC(=O)COc2ccc3ccccc3c2Br)cc1OC 1084561702 UOCYRSCFTFHOSE-UHFFFAOYSA-N 477.742 4.802 50 10 JJGE CC(=O)c1cccc(OCc2cc(C(=O)NNc3ccc(OCc4ccccc4)cc3)no2)c1 1585318555 KZRLEWLZGUFMEC-UHFFFAOYSA-N 457.486 4.792 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)ccc1O 1865681211 HUFPZUMFSZHYNO-QGZVFWFLSA-N 476.842 4.867 50 10 JJGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681755 WDUYFOALIQUAFC-VWLOTQADSA-N 494.551 4.853 50 10 JJGE Cn1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)c2ccccc21 1865699084 KIVSEJNJMMQVDU-IBGZPJMESA-N 467.426 4.799 50 10 JJGE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2F)cc1 1865702626 XTNDZAGKCMCHOT-FQEVSTJZSA-N 453.315 4.668 50 10 JJGE CCC[C@@H](NC(=O)Cc1nc(-c2cccc(F)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866657443 UHTOIOGDQPJAFO-HXUWFJFHSA-N 466.538 4.828 50 10 JJGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)CNS(=O)(=O)c2ccc(C)cc2)n1 1872754920 PPIMELMAVCVJMK-VZCXRCSSSA-N 469.588 4.515 50 10 JJGE O=C(c1ccc(Br)cc1O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915312517 KTPVGTFSQKHEMU-KRWDZBQOSA-N 453.174 4.971 50 10 JJGE CCN(C[C@@](C)(CI)OCc1cccc(F)c1)C(=O)OC(C)(C)C 2024641753 FJLDFVADHJAEMZ-GOSISDBHSA-N 451.320 4.793 50 10 JJGE CC1(C)C[C@](C)(CBr)CN1c1ncc(I)cc1Br 2078812991 YJVGYRATVDTMSH-CYBMUJFWSA-N 488.005 4.839 50 10 JJGE CC[C@@H](C)[C@H](Br)CNC(=O)c1ccc(Br)cc1I 2086145004 HRROGWNQPSVYPW-LDYMZIIASA-N 488.989 4.593 50 10 JJGE O=C(c1cccc(Br)c1Br)N1[C@H]2CC[C@H]1CC(CBr)C2 2148750314 KTGFOFKMMJZNDX-QWRGUYRKSA-N 466.011 4.990 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]([S@](C)(=O)=NC[C@@H](CBr)c2ccccc2)C1 2163059592 URHKXKJMTAZIJE-UHMYUZELSA-N 459.450 4.662 50 10 JJGE Cc1cc(CCl)cc(S(=O)(=O)N2CCC[C@@H](OCc3ccccc3)C2)c1Br 2186392522 YWIFAOAYSKKFIE-GOSISDBHSA-N 472.832 4.866 50 10 JJGE O=C(O)C=Cc1cc(Br)cc(Br)c1OCC1CC(Br)C1 2196931002 AKHSYOXOFSDUPA-UHFFFAOYSA-N 468.967 4.862 50 10 JJGE CC[C@H](Br)[C@@H]1CCCCN1C(=O)c1ccc(C)c(I)c1 2232827253 AQWISHVXMCORKM-ZFWWWQNUSA-N 450.158 4.768 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CCC([C@H](F)CBr)CC1 2283653637 IUJRQSUKMNMIRL-GFCCVEGCSA-N 474.539 4.530 50 10 JJGE CCC(CCl)(CCl)NCc1ccc(I)c(Br)c1 2306231605 LHBYZEKZIIZXRD-UHFFFAOYSA-N 450.973 4.770 50 10 JJGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)NC)cc1 2314593576 PLSLVURMELPMNR-LJQANCHMSA-N 460.386 4.728 50 10 JJGE CC(C)[C@@H]1C[C@H](Br)CN1C(=O)c1scc(Br)c1Br 2321382931 YMLHKNBLCJUUKW-CBAPKCEASA-N 460.029 4.907 50 10 JJGE BrC[C@H]1[C@@H]2CC[C@@H](C2)N1Cc1ccc(I)c(Br)c1 2325228165 BOIFXMAUCUMMLG-SUNKGSAMSA-N 485.001 4.802 50 10 JJGE COc1cc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OC(=O)c1ccccc1 2331051398 JXMAMCRQORABDF-UHFFFAOYSA-N 458.426 4.658 50 10 JJGE O=S1(=O)C[C@@H]2CCC[C@@]2([C@@H](Cl)c2sc(Cl)cc2I)C1 2338768491 QZUUHMLAULPBOC-CQFDHEJISA-N 451.178 4.501 50 10 JJGE O=C(N[C@@H](CBr)[C@H]1CC=CCC1)c1ccc(Cl)cc1I 2365585505 BQRSEWOZEWYLKG-HZMBPMFUSA-N 468.560 4.794 50 10 JJGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1ccc(OCc2ccccc2)cc1 14027805 OFOKOXBNTOBLBD-UHFFFAOYSA-N 489.753 4.522 50 10 JJGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccccc2C)cc1 39858640 IAAYKCFANZCZEJ-SILNSSARSA-N 450.498 4.903 50 10 JJGE N#C/C(=C/c1c(Oc2ccccc2F)nc2ccccn2c1=O)C(=O)Nc1cccc(Cl)c1 39858715 OHYSFZCTGBBIGT-QINSGFPZSA-N 460.852 4.825 50 10 JJGE Cc1ccc2cccc(Oc3ncnc(NNC(=O)c4cccc5ccccc45)c3[N+](=O)[O-])c2n1 40618663 NHZHZTHNEOLKMN-UHFFFAOYSA-N 466.457 4.944 50 10 JJGE COC(=O)/C(C#N)=C/c1cccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c1 40926882 VIGRIEVDZBKKBS-NLUXTTPZSA-N 469.493 4.973 50 10 JJGE C/C(=N\NC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccc(F)cc1 58991152 MZHUUXIEYMZHLI-TURZUDJPSA-N 473.577 4.824 50 10 JJGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)c2ccccc2I)c1 66201375 LNRSXSIOHYQVSX-UHFFFAOYSA-N 494.373 4.554 50 10 JJGE COc1cc(Cl)c(/C=N/NC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1OC 66202196 PXUWLYPSTCXNEJ-AUEPDCJTSA-N 458.729 4.533 50 10 JJGE CC(C)(C)c1ccc(Cn2cccc(C(=O)N/N=C\c3cccc(C(F)(F)F)c3)c2=O)cc1 169921110 ODMIHHSAKRATOH-FDVSRXAVSA-N 455.480 4.977 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(C)cc1C 206399287 SQXAJOLCPBSCME-UCQKPKSFSA-N 470.525 4.520 50 10 JJGE CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2OC)cc1OC 206502988 WMFSVWRHIUDWJB-HGKZOJRLSA-N 478.545 4.543 50 10 JJGE CC(=NNC(=O)C(O)(c1ccccc1)c1ccccc1)c1cccc(NC(=O)C2CCCCC2)c1 252622812 ODIOYELXYQDHHC-UHFFFAOYSA-N 469.585 4.982 50 10 JJGE CCOc1ccccc1C=NNC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 254797554 JHNRIGVSKHEZFH-UHFFFAOYSA-N 485.565 4.711 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CCC(CCBr)CC1 401152729 XJQBZENTUAXHAL-UHFFFAOYSA-N 454.000 4.849 50 10 JJGE O=C(NN=Cc1ccc(Cl)cc1Cl)[C@@H]1C[C@H]1C(=O)NN=Cc1ccc(Cl)cc1Cl 1083893720 YZFSNXMNEFOEED-HUUCEWRRSA-N 472.159 4.537 50 10 JJGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1 1084469917 XAXANHSHLBSGQE-FRKPEAEDSA-N 489.167 4.657 50 10 JJGE Cc1ccc(C)n1-c1cccc(C(=O)NN=Cc2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c1 1084590107 TXAONUPLBDUMMQ-UHFFFAOYSA-N 498.539 4.662 50 10 JJGE O=C(NN=C1c2ccccc2C[C@@H]1NC(=O)c1cccc(Cl)c1)Nc1cccc(Cl)c1 1088722629 BLWCCIBNDLKUKT-FQEVSTJZSA-N 453.329 4.874 50 10 JJGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(Cl)c([N+](=O)[O-])c1 1865705827 GTGQIMODUUVJFN-LJQANCHMSA-N 465.897 4.748 50 10 JJGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865706776 FIMRGQTXGFAERY-FQEVSTJZSA-N 468.916 4.609 50 10 JJGE COc1cccc([C@@H](C)CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)c1 1867107580 PJSHMTLIRKSOAX-BVZFJXPGSA-N 489.597 4.834 50 10 JJGE CN(C[C@H]1C[C@H](Br)C1)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1891054791 RJTWNZMAKJYWIA-QAQDUYKDSA-N 483.406 4.690 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1[C@H]2CCC[C@H]1CC(Br)C2 1922767540 UBJPWCXTBNMURY-RYUDHWBXSA-N 468.560 4.865 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@@H](Br)CC12CCC2 2038050596 JJLWOAZBJCJKDH-ZETCQYMHSA-N 458.013 4.805 50 10 JJGE O=C(CBr)c1c(I)cc(OC(F)(F)F)cc1C(F)F 2060389312 MEOQWQLNNFGLHY-UHFFFAOYSA-N 458.946 4.705 50 10 JJGE CN([C@H]1CCCCC[C@H]1Br)S(=O)(=O)c1cc(Cl)c(Br)s1 2172544348 QMLWJDAHRZTHKZ-SCZZXKLOSA-N 465.660 4.881 50 10 JJGE C[C@H](CCCCCI)NS(=O)(=O)c1ccc(Br)cc1Cl 2174525903 FQWBTKSHVVNSHC-SNVBAGLBSA-N 494.620 4.765 50 10 JJGE O=C(N[C@@H](CCl)[C@H]1CC=CCC1)c1cc(Br)ccc1I 2196159357 GHRZULWJUAPQTJ-HZMBPMFUSA-N 468.560 4.747 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CCC[C@@H](CCCl)CC1 2207264662 IDJVSLDMVKHHQK-NSHDSACASA-N 470.576 4.925 50 10 JJGE Cc1cc(Br)c([C@@H](Br)C2COCCOC2)c(C)c1Br 2227360378 RNRPMCZETYYWGL-AWEZNQCLSA-N 457.000 4.927 50 10 JJGE C[C@H](Br)C[C@@H]1CCCN1C(=O)c1ccc(Cl)c(I)c1 2268352302 ZNZPNYDJWVXIED-ONGXEEELSA-N 456.549 4.723 50 10 JJGE Cn1ncc(-n2c(CCl)nc3cc(Br)c(Cl)cc32)c1I 2280053855 YMXPQRQDOKEPAZ-UHFFFAOYSA-N 485.938 4.518 50 10 JJGE Cc1ccc(S(=O)(=O)NC(C#N)=C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 2297312558 ODQBWNJKWQTZAY-UHFFFAOYSA-N 483.553 4.632 50 10 JJGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3F)nc3ccccn3c2=O)cc1C 2314532763 LYZUJLJUDKRZSI-UHFFFAOYSA-N 454.461 4.788 50 10 JJGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592143 MMCMCYSTWXSTPF-XMMPIXPASA-N 485.565 4.769 50 10 JJGE COc1c(F)cc(CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)cc1F 2363441910 BSPCDCYDJOSZJF-IBGZPJMESA-N 497.320 4.695 50 10 JJGE COc1ccc(C=NNC(=O)c2ccc3c(c2)CN(c2ccc(Br)cc2)C3)cc1 8454239 OAYBQXDQEKKELX-UHFFFAOYSA-N 450.336 4.742 50 10 JJGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 14036240 WKSSFEDBQLCZBD-UHFFFAOYSA-N 491.613 4.637 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)c(OC)c1 38657104 DYZYDUJTQGHIDE-MHZLTWQESA-N 486.524 4.523 50 10 JJGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)c1 38684568 NWQNDCRUKQWPQO-MRDQGFSESA-N 486.499 4.982 50 10 JJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1 38688569 ZLMUZRSHWFQREH-AREMUKBSSA-N 492.487 4.795 50 10 JJGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1C#N 58889881 LVAIALKXQKEBHC-XZJBEKIMSA-N 477.948 4.763 50 10 JJGE O=C(NC[C@@H]1CCC[C@H](Br)C1)c1ccc(I)c(Cl)c1 227754408 RXZUMUXJPKHNLW-KOLCDFICSA-N 456.549 4.628 50 10 JJGE O=C(COc1ccc2ccccc2c1)NN=Cc1ccc(OC(=O)/C=C\c2ccccc2)cc1 254850393 ZGJJBJONYUPULJ-OKEIHGMJSA-N 450.494 4.988 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc3ccccc3c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254861637 BKJIWHPHHYSWDE-UHFFFAOYSA-N 499.479 4.505 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccc(Br)cc2F)C1 382690363 HYRUVILTUPPHHI-ZWNOBZJWSA-N 484.147 4.974 50 10 JJGE CC(C)(C)C[C@@H](CCl)NC(=O)c1cc(I)ccc1Br 393456850 JMWBYVOWBHIYBZ-JTQLQIEISA-N 458.565 4.827 50 10 JJGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@H](Cl)CC[C@H]2C1 398792498 OEDPQCHQXRUWIJ-HBNTYKKESA-N 468.560 4.533 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CCC(F)(F)[C@@H](CBr)C1 403940529 CAGHSEUBERJTEI-VIFPVBQESA-N 475.953 4.704 50 10 JJGE O=C(N[C@@H]1CCCC[C@@H]1CBr)c1scc(Br)c1Br 705409565 MQDFGWNCVWIDIL-VXNVDRBHSA-N 460.029 4.957 50 10 JJGE O=C(CSc1ccccc1C(=O)NNc1ccc(F)c(F)c1F)NCC1CCCCC1 728718320 HEVQXFDHRNLAOX-UHFFFAOYSA-N 451.514 4.649 50 10 JJGE CC(=O)c1cc(Br)ccc1OCC(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1 1454154276 OHJCJTFZDRNAFI-INIZCTEOSA-N 456.453 4.653 50 10 JJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccccc2)C(C#N)=C(N)O3)cc1 1865680287 GEIATKKMFCFVSF-HSZRJFAPSA-N 450.498 4.775 50 10 JJGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1OC 1865697356 QKBBYCUEMCVYRU-IBGZPJMESA-N 485.466 4.692 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc2c(c1)OCCO2 1865697747 ASCOQQXCUAWRGT-QGZVFWFLSA-N 474.826 4.534 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccc[nH]2)C(C#N)=C(N)O3)cc1 1865710480 YYQMWZVZQAWZIG-NRFANRHFSA-N 457.921 4.807 50 10 JJGE CC[C@](C)(NC(=O)Cc1csc(COc2ccccc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866590749 HKNWPNNPMCGAKW-DEOSSOPVSA-N 480.615 4.761 50 10 JJGE CC(C)(C)OC(=O)NCCCN(c1cccc(Br)c1)C(=O)[C@H]1C[C@@H](Br)C1 1887752832 ZDXFHFXDJKCYLY-OTVXOJSOSA-N 490.236 4.870 50 10 JJGE BrCC(CBr)(CC[C@@H]1COCCO1)c1ccccc1Br 1916658956 NIXGUYPLSCOGBN-GFCCVEGCSA-N 471.027 4.672 50 10 JJGE CC1(C)C[C@H](NCCSSCCNC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1985350246 NJZUPMUPZQBIFV-INIZCTEOSA-N 463.710 4.518 50 10 JJGE COC(=O)c1ccc(COc2ccc(C=C(C#N)S(=O)(=O)c3ccc(C)cc3)cc2OC)cc1 2042446202 YTRAGRHPNNCPCO-UHFFFAOYSA-N 477.538 4.708 50 10 JJGE Brc1cc(I)cnc1N1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2069533533 IXRWRUYYCZAYTQ-HOSYDEDBSA-N 485.989 4.734 50 10 JJGE O=C(N[C@@H]1CCC[C@@H]1CCBr)c1ccc(I)c(Cl)c1 2090573183 RYMHFGWFHPAZTN-NOZJJQNGSA-N 456.549 4.628 50 10 JJGE O=C(c1cc(I)ccc1Br)N1C[C@H](Cl)CC2(CCC2)C1 2151341595 BAOYIMSHHNANQL-SNVBAGLBSA-N 468.560 4.677 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1C[C@H]2CCC[C@@]2(CBr)C1 2159409228 POVRBYWKLIWXKG-MEBBXXQBSA-N 468.560 4.582 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@@H](CCl)[C@H](C(F)(F)F)C1 2163346023 YJHMVRDGYXLWJZ-IYSWYEEDSA-N 455.521 4.762 50 10 JJGE O=C(NC[C@H]1CCC[C@@H](CCl)C1)c1ccc(Br)cc1I 2207269178 POPOSYYRMKKPKH-MNOVXSKESA-N 470.576 4.829 50 10 JJGE CC[C@H](C)[C@@H](CI)NC(=O)Cc1ccc(Br)cc1Cl 2229149211 GRBOOBKBVWFMGP-TVQRCGJNSA-N 458.565 4.611 50 10 JJGE C[C@@]1(CBr)C=CCCN1C(=O)c1ccc(Br)cc1I 2264400074 WZBVMVYDEWIPDJ-AWEZNQCLSA-N 498.984 4.609 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N(CCBr)c1ccccc1 2283664522 QZVPTDZCHSAWIQ-UHFFFAOYSA-N 464.528 4.986 50 10 JJGE C[C@]1(CBr)CCCN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295308395 XARONBABCJEYKN-OAHLLOKOSA-N 468.027 4.778 50 10 JJGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 2296719311 AHPTZPBNODGPPA-UHFFFAOYSA-N 456.889 4.994 50 10 JJGE CCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCCC)cc2OC)cc1 2314741382 YLBOIXVPDPJGRW-UHFFFAOYSA-N 462.546 4.926 50 10 JJGE Brc1cc(CN2CC[C@H](Br)C3(CC3)C2)ccc1I 2325206858 LIOLNTUWODBNKE-ZDUSSCGKSA-N 485.001 4.803 50 10 JJGE CC(C)(CI)CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 2326668212 UBOHZNGBYIHPEY-UHFFFAOYSA-N 458.384 4.925 50 10 JJGE Cc1c(C(O)=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 2331236661 RPWPPWPZLIOQJS-UHFFFAOYSA-N 453.392 4.793 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)c(OC)c3)n2)c(OC)c1 2331385613 AXSPQZASGYXZEW-UHFFFAOYSA-N 454.504 4.803 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2CC[C@H]1C[C@H]2Br 2337064330 QCPZAZAQEMFBJC-DFAYQTQMSA-N 451.984 4.600 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1OCCO[C@@H]1C 2339650465 GJISENSPPKUFSM-RESLBDFXSA-N 460.963 4.899 50 10 JJGE BrCC1(COCc2c(Br)cccc2Br)CCOCC1 2340582988 WRYHRFVVCSYJNF-UHFFFAOYSA-N 457.000 4.920 50 10 JJGE COc1cc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)cc(OC)c1OC 9693363 RHOIQLXBXWXHDA-KRWDZBQOSA-N 471.966 4.585 50 10 JJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 14665793 FMKROBKAPDQISD-KGLIPLIRSA-N 453.366 4.673 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1Cl 35254425 AZSHXHGFTSOZDG-YBEGLDIGSA-N 495.875 4.682 50 10 JJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1 38650596 PTEXGSDWBLOWEL-VWLOTQADSA-N 456.498 4.921 50 10 JJGE Cc1ccccc1C(=O)NNc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1[N+](=O)[O-] 40657768 JCMVRRPFZGBBRM-UHFFFAOYSA-N 456.462 4.986 50 10 JJGE CC(C)Oc1ccc(/C=N\NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cc1Cl 169920623 SGGCFWRXIJKIIM-ZMFRSBBQSA-N 458.345 4.755 50 10 JJGE CC1(C)[C@@H]2C[C@@H]1CC=C2C=NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 252511733 KFAWFMRSEKZNPG-LAUBAEHRSA-N 457.983 4.849 50 10 JJGE CC(=NNC(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccc(Cl)s2)c1 252625967 QTEMMZBBQUNOEV-AWEZNQCLSA-N 486.937 4.870 50 10 JJGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=Cc1ccc(O)c(O)c1 254486070 TYZCDTVIWRILNF-UHFFFAOYSA-N 482.612 4.637 50 10 JJGE CCCCOc1ccc(OCC(=O)NN=Cc2cccc(OC(=O)c3ccc(OC)cc3)c2)cc1 254646221 PNKOKJJVFQJFOF-UHFFFAOYSA-N 476.529 4.622 50 10 JJGE O=C(CBr)c1c(Br)ccc(C(F)F)c1I 575685807 MXRVDNPTEXXXFM-UHFFFAOYSA-N 453.846 4.569 50 10 JJGE C[C@@]1(CBr)CCCN(C(=O)c2cc(Br)sc2Br)C1 688844734 WTZBWRFHZKXOTK-LBPRGKRZSA-N 460.029 4.910 50 10 JJGE CN([C@@H](CBr)C(C)(C)C)S(=O)(=O)c1cc(Br)ccc1Br 689230144 LDASFCPSUHLFLL-LBPRGKRZSA-N 492.071 4.642 50 10 JJGE BrCc1cc(Br)cc(Br)c1OCCCO[C@H]1CCOC1 699529676 GJWGHNWFQMCULR-LBPRGKRZSA-N 472.999 4.681 50 10 JJGE CC(=O)N1CC[C@H](NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C)c3)c2C)c2ccccc21 1127176720 KKNQJMKSXLTNSP-VFHYMGCCSA-N 452.558 4.924 50 10 JJGE CCCc1nn(CCC)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705055 KYEVCJLYXFVGRF-QHCPKHFHSA-N 472.545 4.692 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(C(=O)O)cc1 1865709711 ZWJCVNSLWIUSNV-MRXNPFEDSA-N 474.826 4.520 50 10 JJGE CC[C@@](C)(NC(=O)[C@@H](c1ccc(OC)c(OC)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866989830 JAVZXVDDIUMKSB-RCZVLFRGSA-N 469.607 4.940 50 10 JJGE O=C(NOCCCNC(=O)[C@H](Cl)c1ccccc1)OCC1c2ccccc2-c2ccccc21 1977668414 LLPVVMBVSLPDEC-XMMPIXPASA-N 464.949 4.943 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@@H](Br)CC12CCC2 2038062890 XRTTXMSSSUVOKD-ZETCQYMHSA-N 458.013 4.805 50 10 JJGE CSCC[C@H](Br)CCNC(=O)c1cc(Br)cc(Br)c1 2090385459 QQHKGQKFZWETNA-SNVBAGLBSA-N 474.056 4.848 50 10 JJGE Cc1cccc([C@H](Br)c2cc(S(C)(=O)=O)cs2)c1I 2093075592 YLANPTVELZVKCS-LBPRGKRZSA-N 471.179 4.549 50 10 JJGE C[C@H](CCCCCBr)NS(=O)(=O)c1cc(Cl)c(Br)s1 2117891149 JSHAROMGKFAFGY-MRVPVSSYSA-N 453.649 4.786 50 10 JJGE Cc1nn(C)c(Br)c1C[C@@H](CBr)c1ccc(Br)cc1 2129308475 YUCCDXTVGBJKEO-NSHDSACASA-N 451.000 4.975 50 10 JJGE Cc1cc(C(=O)N[C@@H](CBr)c2ccsc2)ccc1I 2142143211 JYUSHCSHTYXQRE-ZDUSSCGKSA-N 450.139 4.527 50 10 JJGE CC1(C)C[C@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(CBr)c(Cl)c2)CO1 2179774234 DHERCQDUZHIZSG-KRWDZBQOSA-N 472.832 4.993 50 10 JJGE CC(C)(C)OC(=O)N1CCN(CCCCCI)C2(CCCCC2)C1 2214705446 RYTPXSGAGUQJGU-UHFFFAOYSA-N 450.405 4.847 50 10 JJGE C[C@H](CBr)CC1CN(C(=O)c2scc(Br)c2Br)C1 2222951189 CUQUGHXLHMTLLD-ZETCQYMHSA-N 460.029 4.766 50 10 JJGE F[C@]1(CC(CBr)(CBr)c2cccc(Br)c2)CCOC1 2229970064 IHNJPXAEAABFGQ-AWEZNQCLSA-N 458.991 4.995 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CCC[C@H](CCCBr)C1 2234181481 LJKUYBBWCBVWDV-NSHDSACASA-N 470.576 4.972 50 10 JJGE CN(C(=O)c1ccc(Cl)c(I)c1)C1CCC(Br)CC1 2268351347 LFXMATAVYMRRBF-UHFFFAOYSA-N 456.549 4.723 50 10 JJGE CCOCCCNC(=O)C(C#N)=Cc1c(Oc2ccc(C(C)(C)C)cc2)nc2c(C)cccn2c1=O 2296719453 VHNYHJNMKIDPKK-UHFFFAOYSA-N 488.588 4.543 50 10 JJGE FC(F)COCCOc1c(Br)cc(CBr)cc1Br 2328157051 KUVSVPNGYUNHSO-UHFFFAOYSA-N 452.915 4.767 50 10 JJGE C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OCc2c(Cl)cccc2Cl)c1 2328818694 NUIHUZMAWOLCND-AWEZNQCLSA-N 466.365 4.936 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1[C@H]2CC[C@H](C2)[C@H]1CBr 2330983420 JZYMJCUAUPEHGC-OXHMUOHRSA-N 451.984 4.600 50 10 JJGE CC[C@@]1(C)[C@@H](Br)CCN1C(=O)c1cccc(Br)c1Br 2336767868 YNPHKEXHNXPHBO-FZMZJTMJSA-N 454.000 4.990 50 10 JJGE C[C@@H]1CC[C@H](CBr)N(C(=O)c2ccc(Cl)cc2I)C1 2340066794 UVBBQTUDCQBBOD-MWLCHTKSSA-N 456.549 4.580 50 10 JJGE O=[N+]([O-])c1sc(CBr)cc1OCc1cccc(I)c1 2341793971 ZTVLWCNXCGRDSN-UHFFFAOYSA-N 454.083 4.735 50 10 JJGE C[C@@H]1[C@H](Br)CCN(C(=O)c2ccc(I)c(Cl)c2)[C@@H]1C 2344520855 PVYJDIRLHMXPEV-IQJOONFLSA-N 456.549 4.579 50 10 JJGE CC(C)CO[C@H]1[C@@H](OCc2ccc(I)c(Br)c2)C[C@H]1Cl 2377595360 OOUOHBLJIQDEGD-VHDGCEQUSA-N 473.576 4.991 50 10 JJGE COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cccc2ccccc12 2903030 GYKFMIPZCYUJST-JVWAILMASA-N 469.453 4.740 50 10 JJGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 14034421 CVRNAQUMVLZIBG-AWEZNQCLSA-N 498.432 4.521 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccccc2Cl)cc1Br 14640766 KPTJRUHCSLSLDD-UHFFFAOYSA-N 483.790 4.902 50 10 JJGE COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc(C)c1C 33474761 ULZLHBDBVCIMJU-GDNBJRDFSA-N 451.460 4.865 50 10 JJGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)NCCCn1ccnc1 33595004 AWBMINUBCZORNW-QNGOZBTKSA-N 462.513 4.595 50 10 JJGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)c1 38684574 NWQNDCRUKQWPQO-QUGAMOGWSA-N 486.499 4.982 50 10 JJGE COc1ccc(C(=O)NNc2ncnc(Nc3cc(C(F)(F)F)ccc3Cl)c2[N+](=O)[O-])cc1 40583292 ILGDXQAHPPGCHC-UHFFFAOYSA-N 482.806 4.566 50 10 JJGE Cc1cc(OCC(=O)N/N=C/c2ccc(Br)o2)c(C(C)C)cc1Br 40912243 DUOZTOANVVXTEI-DNTJNYDQSA-N 458.150 4.766 50 10 JJGE COc1ccc(CN(C(=O)CCl)[C@@H](C(=O)NC2CCCCCC2)c2ccccc2F)cc1 97914894 HCRAHXVLLGWWRB-XMMPIXPASA-N 460.977 4.982 50 10 JJGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 206291945 FUDBOXIFXXUCAC-JZJYNLBNSA-N 476.558 4.607 50 10 JJGE CC(C)(C)CN(CCBr)C(=O)c1ccc(I)c(Cl)c1 690955445 QYUOWCLIQGAEKR-UHFFFAOYSA-N 458.565 4.828 50 10 JJGE CCOc1ccc(Br)cc1[C@@H](Br)c1c(Br)cnn1C 693072449 ZQMAABPNHRAKFK-GFCCVEGCSA-N 452.972 4.828 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CCS[C@H](CCBr)C1 719999282 NGJXATNEANSBRC-SSDOTTSWSA-N 478.069 4.616 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c(-c2ccccc2)n1 727393416 AIKGRNFPAYTKPT-RPISRQAYSA-N 489.938 4.763 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)c(C)n1CC(C)C 855283726 DRCPSURWCPAEIS-VQYZLWMVSA-N 462.594 4.839 50 10 JJGE C#CCOc1cc(F)ccc1NC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 1623171567 DIUIANNSATYELR-UHFFFAOYSA-N 454.461 4.519 50 10 JJGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccccc1)CCC2)c1cccc(C)c1 1772748976 FVMCMRNJXWAPDL-UHFFFAOYSA-N 459.546 4.799 50 10 JJGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc3c(c2)OCCO3)cc1 1865698386 RYSXRMILGBRQFR-RUZDIDTESA-N 476.536 4.896 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865705736 DLOMUEUAAHJDNQ-HSZRJFAPSA-N 497.486 4.872 50 10 JJGE O=S(=O)(c1ccc(Br)cc1F)N(CCCBr)Cc1ccccc1 1914647553 FCHJIILPVTXURW-UHFFFAOYSA-N 465.182 4.564 50 10 JJGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)s1 1915768497 OICDQSOVKFYECU-UHFFFAOYSA-N 467.248 4.875 50 10 JJGE CC1(NS(=O)(=O)c2cc(Br)ccc2Br)CCC(Br)CC1 1924727499 RBSMQQQXXSSSTD-UHFFFAOYSA-N 490.055 4.586 50 10 JJGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)C1CC(OCc2ccccc2)C1 1955614546 POYGEPRYRFGYCR-OSFYOIPJSA-N 466.441 4.740 50 10 JJGE BrCCC[C@@H]1CCCN1c1ncc(I)cc1Br 2015756158 ARXNMHLUVTUSEO-SNVBAGLBSA-N 473.978 4.593 50 10 JJGE O=C(NCc1cc(Br)ccc1Br)[C@H](Br)C1CCCC1 2110720224 BTOIUSUMIMCHJG-CYBMUJFWSA-N 454.000 4.782 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2[C@@H](Cl)CCC[C@H]2C1 2150969677 GOTUAHPICWPFBS-LOWVWBTDSA-N 468.560 4.533 50 10 JJGE CC1(C)C[C@H](CBr)CN(C(=O)c2ccc(I)c(Cl)c2)C1 2172584897 HHFVWCDVFNOUCR-SNVBAGLBSA-N 470.576 4.828 50 10 JJGE Cc1cc(C(=O)N2CCC[C@@H](C)[C@H]2CCBr)ccc1I 2207104137 QQNNMCVCXAZCMQ-IAQYHMDHSA-N 450.158 4.625 50 10 JJGE O=C(NC[C@@H]1CCC[C@H](Br)C1)c1ccc(Cl)c(I)c1 2268349993 ROQRQTSRXKGOJN-KOLCDFICSA-N 456.549 4.628 50 10 JJGE COc1ccc(CCNC(=O)C(C#N)=Cc2c(C)nn(-c3ccc(Cl)cc3)c2Cl)cc1OC 2297382067 VJWAYLFFSSTQKP-UHFFFAOYSA-N 485.371 4.771 50 10 JJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)NCCCn1ccnc1 2314427792 AWBMINUBCZORNW-UHFFFAOYSA-N 462.513 4.595 50 10 JJGE Cc1cccc(NC(=O)C(C#N)=Cc2c(Oc3cc(C)cc(C)c3)nc3ccccn3c2=O)c1 2314533457 QYRLLYUDBDTBNK-UHFFFAOYSA-N 450.498 4.958 50 10 JJGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 2436944 NQRFCGIZISTXQR-ZHZULCJRSA-N 477.929 4.787 50 10 JJGE C/C(=N\NC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccc(O)cc1 12491404 OMPGKBXZXRPKOB-FSJBWODESA-N 492.167 4.990 50 10 JJGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14035361 KOFYNPGVCFSNNE-UHFFFAOYSA-N 498.432 4.523 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)c(C)c1 38604370 AZGIVNNJDYLSOR-ZVHZXABRSA-N 466.541 4.857 50 10 JJGE CCOc1cc(/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCC(C)C 38608646 LGIPTVVLXLWKBM-BUVRLJJBSA-N 488.584 4.964 50 10 JJGE Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823093 FLEMJAVRGPNYTF-WPWMEQJKSA-N 485.313 4.607 50 10 JJGE C#CCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 59159901 DSVNAUJKKHDYRB-LITAXMHPSA-N 470.150 4.686 50 10 JJGE CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OC 59483938 JDXYBJGZKLZTND-MHWRWJLKSA-N 476.314 4.943 50 10 JJGE CCC(=O)N1CCN(C(=O)/C(C#N)=C2/SC=C(c3ccc(F)cc3)N2c2cccc(Cl)c2)CC1 97634485 LXMHGQDQYCCBSU-NJNXFGOHSA-N 496.995 4.847 50 10 JJGE COc1cc(/C=N\NC(=O)c2ccccc2O)cc(Br)c1OCc1ccccc1 108238422 ORWIDIPFWPRJNW-CFRMEGHHSA-N 455.308 4.506 50 10 JJGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)NC1CCCCC1 108900795 LEORZXNSBZBBMU-HKWRFOASSA-N 454.530 4.666 50 10 JJGE O=C(NCC1(CBr)CCCC1)c1cc(Br)c(Br)s1 135177497 OGNZLEUZXVFBFC-UHFFFAOYSA-N 460.029 4.958 50 10 JJGE CC(C)[C@H](CI)NC(=O)c1ccc(Br)cc1C(F)(F)F 232730660 VASDJGOOCHQKGB-NSHDSACASA-N 464.063 4.657 50 10 JJGE Nc1ccc(Cl)cc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382723321 OQVYOQWYIOLWFF-YOEHRIQHSA-N 470.738 4.709 50 10 JJGE O=C(N[C@@H](CCBr)C1CCCC1)c1ccc(F)cc1I 725036004 BPNFMWPWVSPHHP-AWEZNQCLSA-N 454.121 4.504 50 10 JJGE O=C(N[C@@H](CCBr)C1CCCC1)c1cccc(F)c1I 725086627 JFUFCDQSHVQDPN-ZDUSSCGKSA-N 454.121 4.504 50 10 JJGE CC(C)c1ccc([C@@H](CNC(=O)NNC(=O)c2cn(C)c3ccccc23)NC(=O)OC(C)(C)C)cc1 728942071 JRJHDPDKKZNDDV-JOCHJYFZSA-N 493.608 4.512 50 10 JJGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 746181333 WMZSFNBXAIVCDM-UHFFFAOYSA-N 499.372 4.636 50 10 JJGE CC(=NNC(=O)COc1c(C(C)C)cc(Br)c(C)c1Br)c1ccccn1 1082990504 WDDRUQNKSSKPIW-UHFFFAOYSA-N 483.204 4.958 50 10 JJGE COC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1Cl 1084135517 IXYBHZRETVODQB-KPKJPENVSA-N 484.133 4.853 50 10 JJGE COc1ccc2c(c1)C(=NNC(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)N2CC(C)C 1772720881 WKESNSXIJGRKSS-UHFFFAOYSA-N 478.376 4.684 50 10 JJGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1F)CCC2 1772744642 ZJYRINPNFABBAJ-UHFFFAOYSA-N 477.492 4.627 50 10 JJGE Cc1c(C(=O)NCc2ccccc2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747080 LFWWIKZRJYWESS-UHFFFAOYSA-N 493.379 4.508 50 10 JJGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cc(F)ccc1Br 1916389996 WOZHDTURSKLBKU-AWEZNQCLSA-N 459.153 4.641 50 10 JJGE Cc1cc2c(cn1)nc(CCl)n2-c1cc(Br)ccc1I 1917808512 DZTVZWGNPVVLQQ-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE O=C(NCCCCCCI)c1csc(Br)c1Br 1945183384 DKIGJSIJJFYKSY-UHFFFAOYSA-N 495.018 4.998 50 10 JJGE CN(C[C@@H](Br)C1CCCC1)c1ncc(I)cc1Br 2069525050 CEKIDFLIJZXEOR-GFCCVEGCSA-N 488.005 4.839 50 10 JJGE C=CC[C@@](C)(CBr)CNC(=O)c1cc(Br)sc1Br 2082049967 NSBZFCKRCLMBIB-LBPRGKRZSA-N 460.029 4.980 50 10 JJGE CC(C)(C)[C@@H](CBr)CNC(=O)c1cc(Br)ccc1Br 2090197955 AZSJMAWOFGFIFS-VIFPVBQESA-N 456.016 4.999 50 10 JJGE O=S(=O)(N[C@@H](CBr)c1cccs1)c1cc(Cl)c(Br)s1 2119044302 CYGBSMHPCFGZDN-ZETCQYMHSA-N 465.641 4.640 50 10 JJGE C[C@H]1CN(Cc2cc(Br)ccc2Br)C[C@@H](CCBr)O1 2122801944 XPQIUIMASNLTFD-GXFFZTMASA-N 456.016 4.586 50 10 JJGE CN([C@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Cl 2123201233 UFNFVNVZJPNHBP-ROUUACIJSA-N 458.805 4.603 50 10 JJGE C[C@@H]1Cc2cc([C@H](Br)c3c(Br)cnn3C)cc(Br)c2O1 2146617601 ZWHUGDPLAOMOGW-KRTXAFLBSA-N 464.983 4.753 50 10 JJGE CC1(C)CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)[C@@H]1CBr 2148955487 KFXNGBJMTGCOQT-SNVBAGLBSA-N 466.022 4.550 50 10 JJGE Cc1cnn(C)c1CC(CBr)(CBr)c1ccccc1Br 2154342276 XIIQGWUGKGYPPR-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE C[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)CC[C@@H]1CCBr 2172471011 BPXRYULXRBMAGG-MNOVXSKESA-N 470.576 4.828 50 10 JJGE CC(C)(C)OC(=O)NCC[S@@](=O)(=NCCCCCI)c1ccccc1 2220217563 XCIUHJWQHRBJDB-VWLOTQADSA-N 480.412 4.644 50 10 JJGE Cc1nnccc1COc1c(Br)cc(Br)cc1CBr 2274360547 ABZCISVHWMEQSR-UHFFFAOYSA-N 450.956 4.784 50 10 JJGE COc1ccccc1NC(=O)C(C#N)=Cc1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 2293140427 RAOBRAUBQPOGSA-UHFFFAOYSA-N 455.514 4.875 50 10 JJGE Cc1ccc(NCC(=O)NN=Cc2cc(Br)ccc2OC(=O)C=Cc2ccco2)cc1 2294276919 XDMVDMSFWFXWNL-UHFFFAOYSA-N 482.334 4.532 50 10 JJGE COc1ccc(Cl)c(CC(=O)NN=Cc2ccc(OC)c(OCc3ccc(C)cc3)c2)c1 2323676195 WLCNBLGVHZJHNU-UHFFFAOYSA-N 452.938 4.937 50 10 JJGE CC(C)(CI)CN1CC[C@H](C(F)(F)F)C[C@H]1CNC(=O)OC(C)(C)C 2326670327 UKDDVGJVDWIXQR-STQMWFEESA-N 478.337 4.615 50 10 JJGE O=C(c1cccc(Br)c1Br)N1[C@H]2CC[C@H](C2)[C@@H]1CBr 2330981005 JOVHHEZYFPSJMD-PTRXPTGYSA-N 451.984 4.600 50 10 JJGE CC[C@@]1(C)[C@H](Br)CCN1C(=O)c1ccc(I)c(Cl)c1 2336765359 WRSWPFQOVRSFKV-OCCSQVGLSA-N 456.549 4.723 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CCC[C@H](CBr)CC1 2340059146 SRXMHPHEAULZIC-JTQLQIEISA-N 456.549 4.582 50 10 JJGE COc1ccc([C@@H](CI)OCc2cccc(I)c2)cc1 2367346346 VRGGPUASZROUOA-MRXNPFEDSA-N 494.110 4.993 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CCC2CCN(CCOCCI)CC2)CC1 2379675097 WOUNDMIKKITLHS-UHFFFAOYSA-N 494.458 4.577 50 10 JJGE N#C/C(=C/c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)C(=O)Nc1ccccc1Cl 39858700 SKULCGKVIDAWJJ-SQFISAMPSA-N 460.852 4.825 50 10 JJGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)CCC3)c1 40812992 VTBZDSCQTUZBOA-LHLOQNFPSA-N 461.474 4.803 50 10 JJGE CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc3ccccc3c2)cc1OC 40888810 LZUZNELUUDTVHD-ZMOGYAJESA-N 457.324 4.539 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C)c(C)c1 40929742 CHJDNESEMVYXRG-FYJGNVAPSA-N 474.513 4.503 50 10 JJGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 58889913 FBCMATCSBLHYID-WHXCVRPHSA-N 496.947 4.590 50 10 JJGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1I 59147192 BPORIIYFQUJQHL-LGJNPRDNSA-N 499.283 4.645 50 10 JJGE CC(=O)N(/N=N/c1ccc(I)cc1)c1ccc(I)cc1 59464860 LRFYAEOYCHRUMF-ISLYRVAYSA-N 491.070 4.948 50 10 JJGE CC1(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)c1ccc(F)cc1)c1nc3cc(Cl)c(Cl)cc3nc12 101106517 CFNNGUFDDUHARF-NPMABZOXSA-N 473.335 4.692 50 10 JJGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C1=O 101334182 HFEFLLOYWUHBOW-TTXZLZEXSA-N 494.551 4.701 50 10 JJGE CC1(C)CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C[C@@H]1Br 387780062 JTOMETHDXSCYAA-JTQLQIEISA-N 466.022 4.550 50 10 JJGE CC[C@@H](Br)CCCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 398575228 PLAQDOPQOXXAHA-MRVPVSSYSA-N 468.038 4.988 50 10 JJGE CC[C@@H](c1ccc(OC)cc1)[C@@H](c1ccc(OC)cc1)N(/N=C/c1ccccc1[N+](=O)[O-])C(=O)CN 585668972 HMNHULGZHRREIY-IGPVXHEDSA-N 490.560 4.668 50 10 JJGE CN(C[C@H](Br)C1CC1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 690147068 RLJDSGLULVNQFP-VIFPVBQESA-N 466.022 4.550 50 10 JJGE C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c(Br)s2)[C@@H]1CCBr 697194350 QCIFZRQVXZWTJD-PSASIEDQSA-N 465.660 4.738 50 10 JJGE C[C@@H]1CCN(C(=O)c2cc(Br)sc2Br)C[C@H]1CBr 700420938 XRUFAXADZRJTPD-HTQZYQBOSA-N 460.029 4.766 50 10 JJGE Cc1ccc([C@H](Br)c2cnn(C)c2I)c(C)c1Br 719585432 WJTOYRUCBRTGHW-LBPRGKRZSA-N 483.973 4.888 50 10 JJGE COc1ccc(Br)cc1C=NNC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 1082753945 ZMMJBEFCBTYYGM-UHFFFAOYSA-N 470.298 4.613 50 10 JJGE O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NN=Cc1ccc(Cl)cc1Cl 1084272479 IMMONRXDDKGSLX-UHFFFAOYSA-N 496.803 4.992 50 10 JJGE Cc1cc(Br)ccc1OCC(=O)NN=Cc1ccccc1OCc1ccccc1 1084570518 LKKZCGZNNZGCKA-UHFFFAOYSA-N 453.336 4.866 50 10 JJGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653246 XCLVLWVXXBWHDX-SJYOCLILSA-N 483.593 4.999 50 10 JJGE CCCc1ccc(OCC(=O)NN=Cc2ccc(Br)cc2)c(Br)c1 1772755340 BSLYJBMCFWXBRJ-UHFFFAOYSA-N 454.162 4.693 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1cccc(O)c1 1865681252 ISQMOXBAHUEUON-INIZCTEOSA-N 464.806 4.666 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccncc1 1865700136 LQOUGAIEEAPHCC-AWEZNQCLSA-N 452.223 4.811 50 10 JJGE CCOc1ccc(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(CC)cc3)nc2C)cc1OC 1865758581 IACWEZFVOSNIPD-MHWRWJLKSA-N 459.546 4.501 50 10 JJGE COc1cccc(-c2ccc(C(=O)NNC(=O)CCCOc3ccc(Cl)cc3Cl)c(C)n2)c1 1865758707 NAQOTESOALAIDS-UHFFFAOYSA-N 488.371 4.993 50 10 JJGE Cn1c([C@@H](Br)c2sc(Cl)cc2I)cnc1Cl 1901025141 DHOSLFBSKOZPMD-SSDOTTSWSA-N 451.942 4.877 50 10 JJGE Cc1cc(Br)c(F)c(C(=O)N(C)C[C@H](Br)COCc2ccccc2)c1 1916390918 XATPFLWMCLTVMT-HNNXBMFYSA-N 473.180 4.949 50 10 JJGE Brc1cc2c(cc1[C@H](Br)c1sncc1Br)OCCO2 2088927912 UCUPSKGKMQPALO-NSHDSACASA-N 469.980 4.924 50 10 JJGE CS(=O)(=O)c1csc([C@H](Cl)c2ccc(I)c(Br)c2)c1 2093071510 ISKPSWVADMXFIV-GFCCVEGCSA-N 491.597 4.847 50 10 JJGE C[C@@H](Cl)CCCc1cn(-c2ccc(Br)c(I)c2)nn1 2132756494 LIDUPFNECOVPAL-SECBINFHSA-N 454.537 4.584 50 10 JJGE CC[C@H](C)[C@H](CI)NC(=O)c1cc(Cl)c(C)cc1Br 2136494054 KXVZFLVWMROOJO-SDBXPKJASA-N 458.565 4.990 50 10 JJGE CCCN(CCCBr)S(=O)(=O)c1cc(Br)c(C)cc1Br 2149420795 BAYBSOJLYPXMOM-UHFFFAOYSA-N 492.071 4.706 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@@H](Br)C(F)(F)CC1 2150020204 YTHJCXSIRKWGHG-SNVBAGLBSA-N 475.953 4.846 50 10 JJGE Cc1sc(C)c(S(=O)(=O)N[C@H](CBr)c2ccsc2)c1Br 2175671400 SCWAEUKKMKOXLX-SNVBAGLBSA-N 459.250 4.603 50 10 JJGE C[C@@]1(CNC(=O)c2cccc(Br)c2Br)CCC[C@@H]1Br 2271300161 IPRGILBBYSBBTF-FZMZJTMJSA-N 454.000 4.895 50 10 JJGE C[C@@H]1CCC[C@](CBr)(NC(=O)c2c(F)cccc2I)C1 2282801173 HYTGKRJIRMLUPA-BMIGLBTASA-N 454.121 4.504 50 10 JJGE O=C(NCC1CCC(CBr)CC1)c1ccc(Cl)c(I)c1 2283663643 VDTWUELJUJEOJA-UHFFFAOYSA-N 470.576 4.876 50 10 JJGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)sc(C(=O)OC)c1C 2296789904 AJTDIAZAASSHFE-UHFFFAOYSA-N 497.554 4.849 50 10 JJGE CCCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCCOC)cc2)cc1OC 2314777301 YBJHCEFNBCCLMQ-UHFFFAOYSA-N 492.572 4.553 50 10 JJGE CC(C)COc1ccccc1C=NNC(=O)c1cc(-c2ccccc2)nc(N2CCCCC2)n1 2323756556 NQTMFBNTCRPIRY-UHFFFAOYSA-N 457.578 4.933 50 10 JJGE Brc1cc(CN2CC[C@@H](Br)[C@H]2C2CC2)ccc1I 2325206910 LXKGRCDRVVDUAT-BXUZGUMPSA-N 485.001 4.802 50 10 JJGE N#CC(=C(O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc(Cl)s2)cs1 2331402338 QKOLDXSAPZBSAD-UHFFFAOYSA-N 472.891 4.522 50 10 JJGE FC1(F)CN(Cc2ccc(Cl)c(I)c2)CC[C@@H]1CBr 2337225245 JKPXUSABQGVKLS-SNVBAGLBSA-N 464.519 4.797 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1C[C@@H]2CCC[C@H](C1)C2Br 2365600397 MGBPWCMDXZQDKQ-XFLKPENQSA-N 468.560 4.580 50 10 JJGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@@H]1CN(C[C@@H](CBr)CC1CC1)C2 2370175113 MSHRPFXYIAWVSU-MDZRGWNJSA-N 451.396 4.812 50 10 JJGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1ccccc1 12491227 LROKRECWRRIFIO-SSDVNMTOSA-N 462.141 4.894 50 10 JJGE C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(Cl)c(Cl)c2)c(OC)c1 33677906 AHMYAUJKTWSVLI-LDZFKAGLSA-N 457.313 4.830 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)cc1F 38602890 CMGNAMYBZVQUSG-FYJGNVAPSA-N 470.504 4.689 50 10 JJGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OC)cc1OC 38657198 OOFYZKUKVZAEPZ-SANMLTNESA-N 486.524 4.930 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccccc2OCc2ccccc2F)cc1 58895457 AXQQIPZHEQYEOU-VNIQIGACSA-N 450.510 4.767 50 10 JJGE ClCc1nc2cc(I)ccc2n1-c1cccc(I)c1 97353796 FFDGPXOAAVBPHE-UHFFFAOYSA-N 494.501 4.974 50 10 JJGE COC(=O)c1cc(OC)c(OC)cc1N/C=C(/C#N)c1nc(-c2ccc(OC)cc2)cs1 102419565 MRCZFVAFTNLLDO-QINSGFPZSA-N 451.504 4.599 50 10 JJGE CCCCCCn1c(SC/C(O)=C(/C#N)C(=O)NCc2ccccc2)nc2ccccc2c1=O 104694779 UBONUZRAVJNFPJ-XTQSDGFTSA-N 476.602 4.721 50 10 JJGE O=S(=O)(N[C@H]1CCCCC[C@@H]1Br)c1cc(Cl)c(Br)s1 136201252 SYUKDTCIVOSDPF-CBAPKCEASA-N 451.633 4.539 50 10 JJGE C=CCc1cc(C=NNC(=O)c2cccs2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 254402552 BNXYPEPIYAMKFX-UHFFFAOYSA-N 464.543 4.916 50 10 JJGE COc1ccccc1/C=C\C=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C 254615167 WYIDXVZAPZNCIF-XVJKKGMOSA-N 484.581 4.610 50 10 JJGE CC[C@@H](C)N(CCBr)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 312587289 DFVGTXSIUPWQOO-MRVPVSSYSA-N 468.038 4.940 50 10 JJGE Cn1ncc([C@H](Cl)c2cc(Br)ccc2Br)c1I 379199371 HFTIQHPGTNZKRO-SNVBAGLBSA-N 490.364 4.878 50 10 JJGE CC(C)(C)[C@@H](CBr)NC(=O)c1cc(Br)ccc1I 393957974 MNHYAXUBPCQGKJ-LLVKDONJSA-N 488.989 4.593 50 10 JJGE C[C@H]1CCCN(C(=O)c2cc(I)ccc2Br)[C@H]1CCCl 697196248 ZLIZQPLPFUCQCR-HZMBPMFUSA-N 470.576 4.923 50 10 JJGE COc1ccc(C(=O)NN=Cc2ccc(SCC(=O)Nc3ccc4ccccc4c3)o2)cc1 1084281716 DBULHYCJOKFMQU-UHFFFAOYSA-N 459.527 4.936 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)COc3cc(C)ccc3C(C)C)cc2)cc1 1084533701 DTDZKSSWTQYTKC-UHFFFAOYSA-N 480.586 4.724 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CCl)[C@H](c2cc(Br)cc([N+](=O)[O-])c2)C1 1614642106 LQJNFLNFBRGSBF-QAPCUYQASA-N 453.720 4.948 50 10 JJGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(C)c2)CCC3)c1 1772745249 VTVWSNJXMAXXKK-UHFFFAOYSA-N 461.518 4.636 50 10 JJGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865694378 XFXVPODDIWDIQL-QFIPXVFZSA-N 462.525 4.648 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 1865710277 SUOQZFAKPLDGNJ-MRXNPFEDSA-N 475.814 4.730 50 10 JJGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(O)c([N+](=O)[O-])c2)cc1 1865714854 RQRMHFJDUIAQNQ-JOCHJYFZSA-N 465.469 4.680 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)COc4ccc(Cl)cc43)n2)cc1OC 1872745170 CPBKZLPKAAGDAG-SDXDJHTJSA-N 483.933 4.699 50 10 JJGE BrCc1cc(Br)c(OC[C@H]2C[C@]23CCOC3)c(Br)c1 1894788580 JHKYJYLAHKZFMZ-YGRLFVJLSA-N 454.984 4.912 50 10 JJGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1COCCO1 1924579425 FERIJISRDWHMHI-FBCQKBJTSA-N 455.393 4.731 50 10 JJGE CC[C@H]1CC[C@@H](NCCSSCCNC(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C 1985346922 KBBZJBMZLKYEGQ-SJORKVTESA-N 463.710 4.660 50 10 JJGE CC1(C)CC[C@H](Br)CN1c1ncc(I)cc1Br 2015764489 DBSAOFXOXXDTGL-QMMMGPOBSA-N 473.978 4.591 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@]2(CCC[C@@H](CI)O2)C(F)(F)CC1 2020325600 AAHDRWRCARUJRP-XJKSGUPXSA-N 459.315 4.786 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 2020675515 YHIBWEYIBDAPDI-SFHVURJKSA-N 471.689 4.748 50 10 JJGE CC[C@H]1[C@H](CBr)CCN1C(=O)c1csc(Br)c1Br 2032959137 VEXFGUXNHRAEOC-CBAPKCEASA-N 460.029 4.909 50 10 JJGE BrCc1cc(Br)c(Br)c(I)c1 2054856277 KIYCTLYJPKWELD-UHFFFAOYSA-N 454.725 4.711 50 10 JJGE O=C(NC[C@H]1CCC[C@H]1CBr)c1c(Br)cccc1Br 2094088849 PRUIHLHCFIFXIP-VHSXEESVSA-N 454.000 4.753 50 10 JJGE C[C@H]1CN(C(=O)c2ccc(Br)cc2Br)CC[C@H]1CBr 2109036236 ZOIOITKUMFMVEB-UWVGGRQHSA-N 454.000 4.705 50 10 JJGE CC1(C)C[C@H](Br)CCN1C(=O)c1ccc(Br)cc1Br 2113585428 FNEKDRHYZUHGQB-SNVBAGLBSA-N 454.000 4.990 50 10 JJGE CC(C)C[C@H](CBr)CNC(=O)c1ccc(I)c(Cl)c1 2120742084 HHZAPYGNCZJWDT-SNVBAGLBSA-N 458.565 4.732 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@H](Br)[C@@H]2CC[C@@H]21 2133722553 JYEBKQYIBYXDBY-PEXQALLHSA-N 451.984 4.600 50 10 JJGE CC(C)(CCl)[C@@H]1CCCN1C(=O)c1cc(I)ccc1Br 2155832071 SQENQQIDHHLPQO-ZDUSSCGKSA-N 470.576 4.923 50 10 JJGE CN(Cc1cnn(C)c1Br)c1cc(Br)cc(F)c1CBr 2173264491 LXIZJQLJOJYCGX-UHFFFAOYSA-N 469.978 4.616 50 10 JJGE CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)ccc1Cl 2179795933 YFCDMPKIPFDWPL-SFHVURJKSA-N 471.848 4.520 50 10 JJGE O=C(c1cccc(Br)c1Br)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2184577552 KTGFOFKMMJZNDX-JGPRNRPPSA-N 466.011 4.990 50 10 JJGE COC[C@@](C)(CC(CBr)(CBr)c1ccc(Br)cc1)OC 2198247225 AEEAYGFYRWDKCU-CQSZACIVSA-N 473.043 4.918 50 10 JJGE COc1ccc([C@H](Br)C2CC(Br)C2)cc1I 2243905552 PWLWXTKCCFKUGT-KWPJZBAWSA-N 459.947 4.909 50 10 JJGE C[C@]1(CNC(=O)c2ccc(Br)cc2Br)CCC[C@@H]1Br 2271298689 RTCXTPAZOQLQRY-GXTWGEPZSA-N 454.000 4.895 50 10 JJGE CC(C)(C)OC(=O)NCc1ccc(NS(=O)(=O)CCC(CCl)CCl)cc1Cl 2281656561 MNAKITAJCOBKER-UHFFFAOYSA-N 459.823 4.590 50 10 JJGE C[C@H](Cl)COCc1cn(-c2c(Br)cc(Br)cc2Br)nn1 2295829570 YIDQNPDBHLLSBW-ZETCQYMHSA-N 488.405 4.699 50 10 JJGE CC(C)(CI)CN1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 2306818470 KSYNSLWIMXVMNO-CVEARBPZSA-N 450.405 4.559 50 10 JJGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593597 PURHSASOKJZLBT-HSZRJFAPSA-N 491.544 4.560 50 10 JJGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)c(OC)c2)cc1OC 2320506905 ULMNVIPBGOMHFM-UHFFFAOYSA-N 459.454 4.724 50 10 JJGE CC(C)CN1C[C@H](Cc2ccc(Cl)c(I)c2)[C@@H](Br)C1 2337219014 OPGFACWMUPSKKX-STQMWFEESA-N 456.593 4.838 50 10 JJGE Brc1ccc(Br)c([C@@H](Br)[C@@H]2COC3(CCC3)CO2)c1 2338788997 AGYIGLKMMIJECP-QWHCGFSZSA-N 454.984 4.986 50 10 JJGE CC(C)(C)N1C[C@@H](Br)[C@@H](Cc2ccc(Cl)cc2I)C1 2341033307 VDDGLMBBTQXVQH-WCQYABFASA-N 456.593 4.981 50 10 JJGE BrC[C@H]1N(Cc2c(Br)cccc2Br)CC12CCOCC2 2381034434 PFFHHJDUFNLGJX-CQSZACIVSA-N 468.027 4.588 50 10 JJGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cccc(OCCc2ccccc2)c1 10331875 AXRYJNZJCNBDSL-FQEVSTJZSA-N 454.526 4.690 50 10 JJGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 10683669 DYRYRBISEJKSRM-PGRDOPGGSA-N 453.583 4.803 50 10 JJGE CCCOc1ccccc1C(=O)NNC(=O)c1cc(Br)ccc1OCCC(C)C 14650807 QORHZOLJYYLMJF-UHFFFAOYSA-N 463.372 4.738 50 10 JJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(C)c(Br)c2)c(Br)c1 14832301 IYKZUHJEDKZQQH-LBPRGKRZSA-N 498.215 4.874 50 10 JJGE CCN1C(=S)N[C@@H](c2ccc(NC(=O)C(C)(C)CCl)cc2)C(C(=O)OCC(C)C)=C1C 16609186 HTQXGULEKABMAO-IBGZPJMESA-N 466.047 4.614 50 10 JJGE CCOC(=O)c1c(NC(=O)[C@@]23CC[C@@](C)(C(=O)[C@@H]2Br)C3(C)C)sc2c1CCC2 35548639 BEDSFWCZSRTHFF-SZFUDVHCSA-N 468.413 4.511 50 10 JJGE COc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1)CC3 39881719 RYOJASWXPULEBM-UHFFFAOYSA-N 472.932 4.666 50 10 JJGE Cc1nn(C)c(C[C@@H](CBr)c2cccc(Br)c2)c1Br 118661406 AQLQDWHMGJLZGX-NSHDSACASA-N 451.000 4.975 50 10 JJGE O=S(=O)(NC1CCC(Br)CC1)c1c(Cl)cc(Br)cc1Cl 136790810 ZCRSVTRCFJWIFT-UHFFFAOYSA-N 466.022 4.740 50 10 JJGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)cc1OC 206502900 WMFSVWRHIUDWJB-QLZDPBCMSA-N 478.545 4.543 50 10 JJGE N#C/C(=C/Nc1ccc(N)cc1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216493942 YYGIGUOASMBTSM-QOCHGBHMSA-N 471.992 4.675 50 10 JJGE CC(=NNC(=O)[C@@]1(C)CC1(Br)Br)c1cccc(NC(=O)c2ccc(C)o2)c1 252619166 LNSRFQCZXYUGCI-GOSISDBHSA-N 497.187 4.577 50 10 JJGE Brc1cc([C@H]2CC[C@@H](CI)O2)sc1Br 306203738 MWOSPRNIOVWXLQ-CAHLUQPWSA-N 451.949 4.928 50 10 JJGE C[C@H](Br)C[C@H]1CCCCCN1C(=O)c1ccc(I)cc1 312976571 PWWGECOWPWJXLG-SWLSCSKDSA-N 450.158 4.850 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CCl)[C@@H](c2ccccc2I)C1 382685823 IZXLIHFPEDADFJ-WBVHZDCISA-N 455.723 4.882 50 10 JJGE C[C@H]1[C@@H](Br)CCCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 384436921 FBONNWSTMZWXRJ-CBAPKCEASA-N 466.022 4.692 50 10 JJGE C[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2I)[C@H]1CCBr 700331566 WZSMHRMBOPTUPB-YGRLFVJLSA-N 470.576 4.970 50 10 JJGE O=C(NC1(CCBr)CCCCC1)c1cccc(F)c1I 721685689 WSDXWIDMPJPBIV-UHFFFAOYSA-N 454.121 4.648 50 10 JJGE C[C@@H](Cl)C(=O)NN=Cc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 1772742823 GXSNAIYHBJHQKK-SNVBAGLBSA-N 452.139 4.790 50 10 JJGE COc1cc(C=NNC(=O)COc2ccccc2-c2ccccc2)cc(Br)c1OC 1772753729 FQAQAUNHKFNWPI-UHFFFAOYSA-N 469.335 4.662 50 10 JJGE CCOc1c(C=NNC(=O)CCCOc2ccc(CC)cc2Br)cccc1OC 1772755996 XGIOAENHBDPCEF-UHFFFAOYSA-N 463.372 4.728 50 10 JJGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)N/N=C/c1cccc(Cl)c1Cl 1860773090 POZPXDIMVNFXPL-YCPBAFNGSA-N 457.342 4.582 50 10 JJGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865698240 OBIXZGANSUGDFY-JOCHJYFZSA-N 462.937 4.527 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865705963 KTDAHCBJLGTEMI-XMMPIXPASA-N 498.514 4.678 50 10 JJGE C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1873793604 RYLRTJOFYYBXEY-DSKMXOTJSA-N 466.365 4.936 50 10 JJGE C[C@@H]1CC[C@@](CCl)(NC(=O)c2cc(I)ccc2Br)C1 1880882923 RMKHNYHEWGKBNW-YMTOWFKASA-N 456.549 4.581 50 10 JJGE C[C@H](CCBr)N(C)Cc1ccc(I)c(Br)c1 1904343529 JXXKZSSTGGWANE-SECBINFHSA-N 460.979 4.659 50 10 JJGE C[C@H](NC(=O)c1cc(I)ccc1Br)C(C)(C)CBr 2030079946 JMJYHCXBMLJRIQ-QMMMGPOBSA-N 488.989 4.593 50 10 JJGE CSCC[C@@H](Br)CCNC(=O)c1cccc(Br)c1Br 2092334280 GZJVMJZMZOTGSS-VIFPVBQESA-N 474.056 4.848 50 10 JJGE O=C(NC[C@H]1CCC[C@H](Br)C1)c1c(Br)cccc1Br 2094088457 LGADKWFDKYEPGA-UWVGGRQHSA-N 454.000 4.895 50 10 JJGE C[C@H](NC(=O)c1ccc(Br)cc1Br)[C@H]1CCC[C@H]1Br 2111558016 LXHJWAWDIBGICI-MKPLZMMCSA-N 454.000 4.894 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](Br)C12CCC2 2142282209 APTTYZFJEVOZDS-GFCCVEGCSA-N 498.984 4.586 50 10 JJGE CN1CCC(N(Cc2ccccc2)S(=O)(=O)c2ccc(CBr)c(Cl)c2)CC1 2179780671 SDSWMZBBZXTSHG-UHFFFAOYSA-N 471.848 4.520 50 10 JJGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@@H]1C[C@H](CCl)C2 2184576372 ZAGGLBYJLPVEKQ-YHPBZONMSA-N 468.560 4.676 50 10 JJGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(Br)c1 2212710757 YYOMCCGCYLPCEL-LBPRGKRZSA-N 465.182 4.563 50 10 JJGE CC(C)[C@@H]1[C@H](Br)CCN1C(=O)c1ccc(Cl)c(I)c1 2268341729 QKKKULQOFQDTAG-ZWNOBZJWSA-N 456.549 4.579 50 10 JJGE COc1ccc([C@H](Br)c2cccc(F)c2I)c(OC)c1 2287085446 WUJPIVAMFWOJMA-AWEZNQCLSA-N 451.073 4.932 50 10 JJGE C[C@H](Br)[C@H]1CCCN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295316739 CBQYJRZQYMMZBT-JQWIXIFHSA-N 468.027 4.776 50 10 JJGE COc1cc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1ccc(C#N)cc1 2297534575 NUFCIHRTPQQWBQ-UHFFFAOYSA-N 472.508 4.850 50 10 JJGE COc1cc(C=NNC(=O)c2ccccc2Cl)cc([N+](=O)[O-])c1OCc1ccccc1C 2323078705 UJFANBVDCMLKAU-UHFFFAOYSA-N 453.882 4.908 50 10 JJGE N#CC(=Cc1cccc(Cl)c1)C(=O)NC[C@@H](c1ccccc1)S(=O)(=O)c1ccccc1 2329684265 VUQZVMRJZZMGKK-QHCPKHFHSA-N 450.947 4.578 50 10 JJGE COc1ccc([C@H](Br)[C@H]2OC[C@@H]3CCCC[C@H]23)cc1I 2359457460 QBQOASNEKIKWPZ-APYUEPQZSA-N 451.142 4.941 50 10 JJGE CC1(C)[C@H]2CO[C@]1(CO[C@@H](CI)c1ccc(Br)cc1)C2 2359850031 OGERJKMGSXRZMY-INWMFGNUSA-N 451.142 4.757 50 10 JJGE C=CC[C@]1(CBr)CCCN1C(=O)c1ccc(Cl)cc1I 2365593864 WBTQBHFWBZZBFI-OAHLLOKOSA-N 468.560 4.890 50 10 JJGE O=C(Nc1ccc(CBr)c(F)c1)c1ccc(F)cc1I 2367669649 XLDWOFPUJYBLMP-UHFFFAOYSA-N 452.036 4.717 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@H]2CCCCC23CCOCC3)C1 2368371284 JONZJJUCIPBBDL-UWJYYQICSA-N 493.426 4.947 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Br)c1OC 6906081 LNNWMDKLQZSALV-WZUFQYTHSA-N 466.675 4.574 50 10 JJGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](CC)Oc2ccccc2[C@@H](C)CC)cc1 10683771 WCHYGDUSVCRIJQ-PGRDOPGGSA-N 453.583 4.947 50 10 JJGE C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14665857 LIRZWUYSRWPSDU-GOSISDBHSA-N 465.594 4.731 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)cc2)cc1 22022871 GPZMQXMTHOHYKN-OVVQPSECSA-N 458.539 4.609 50 10 JJGE CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C3C)o2)cc1 38606662 SRKNVUUFVWTYFH-PXLXIMEGSA-N 476.529 4.531 50 10 JJGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)C1=O 38607648 ALTYNEKJJRFICH-LPYMAVHISA-N 452.489 4.765 50 10 JJGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)c1 38684535 BZPZTZYULDMKFZ-MHZLTWQESA-N 468.509 4.762 50 10 JJGE Nc1c(NNC(=O)c2cccc(Cl)c2)ncnc1Nc1ccc(Cl)c(C(F)(F)F)c1 40785241 SATWRXRFJPDIIG-UHFFFAOYSA-N 457.243 4.885 50 10 JJGE O=C1CCc2cc([C@@H](Br)c3cccc(I)c3)c(F)cc2N1 109872948 FUKWWPFMGPKDSY-INIZCTEOSA-N 460.084 4.799 50 10 JJGE O=C(CSc1nc2ccccc2s1)N/N=C\c1ccc(OC(=O)c2cccs2)cc1 169892998 VIIRBLGSUGTCRD-UUYOSTAYSA-N 453.570 4.819 50 10 JJGE Cc1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc(I)cc3)c2C)cc1 252623257 ONJIJHQTNDLEFL-UHFFFAOYSA-N 457.315 4.771 50 10 JJGE CC(=NNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 254896194 CROKYYIKROYNRQ-UHFFFAOYSA-N 463.603 4.963 50 10 JJGE COc1ccc(/C=C/C(=O)Oc2ccc(C=NNC(=O)COc3c(C)ccc(C)c3C)cc2)cc1 254899035 UQSHNZUBLMSQQW-GFNFWJOJSA-N 472.541 4.768 50 10 JJGE O=S1(=O)CCCC[C@H]1[C@@H](Br)c1scc(C(F)(F)F)c1Br 380120941 KUMDEOWUQWZOPO-IONNQARKSA-N 456.143 4.933 50 10 JJGE FC(F)(F)c1cnc(N2C3CCC2(CBr)CC3)c(I)c1 722966839 CQUQSGZNWDLIGK-UHFFFAOYSA-N 461.063 4.601 50 10 JJGE CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)NN=Cc1cc([N+](=O)[O-])ccc1O 1084500304 RCHARFCIODMHBA-GOSISDBHSA-N 472.295 4.524 50 10 JJGE N#C/C(=C/c1cn(CCCOc2ccccc2Cl)c2ccccc12)C(=O)NC[C@@H]1CCCO1 1084585179 CRWBQDNKMFELMG-SACXWWFQSA-N 463.965 4.966 50 10 JJGE C/C(=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(=O)NNC(=O)C1CC1 1538514043 IGIQJNGOLKXODP-SILNSSARSA-N 456.542 4.805 50 10 JJGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cc(C)ccc4OC)c(C)c32)cc1 1772745555 DZGSPQODHXPKRR-UHFFFAOYSA-N 461.518 4.636 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1O 1865681913 AGWBZTGDDOMUAV-QHCPKHFHSA-N 468.488 4.670 50 10 JJGE Cc1sc(C)c(S(=O)(=O)N(C)C[C@H](Cl)COCc2ccccc2)c1Br 1916334662 IYWGBGOFLRVCBN-HNNXBMFYSA-N 466.850 4.572 50 10 JJGE COc1ccc(Br)cc1[C@@H](Br)c1nn(C)c(Br)c1C 2111925815 CAIRDVIVLDTJHO-LLVKDONJSA-N 452.972 4.746 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1[C@@H](CBr)CCC12CCC2 2205771414 DYTCHHGUIGUPKB-LLVKDONJSA-N 468.560 4.867 50 10 JJGE Cc1c([C@@H](Br)c2ccc3c(c2Br)CCO3)nn(C)c1Br 2238070582 GAUOVIMIAXWTSM-LBPRGKRZSA-N 464.983 4.673 50 10 JJGE CN(C[C@H]1C[C@@H]1Br)C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2241638163 UCGNQGYKUSULHW-ZHRRBRCNSA-N 471.395 4.547 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(C)(C)C)CN(CCCCI)C1 2248249689 MORHGMKJBADEAZ-JKSUJKDBSA-N 452.421 4.711 50 10 JJGE CCO[C@]1(COc2c(Br)cc(Br)cc2CBr)CCOC1 2287070036 DGBQXMCDZAIVJM-CQSZACIVSA-N 472.999 4.681 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H](CCBr)C(F)(F)F 2295310131 SPZWRYLYAHYRDT-JTQLQIEISA-N 481.932 4.586 50 10 JJGE C[C@H](Br)[C@H]1CCN(Cc2ccc(I)c(Br)c2)C1 2306222079 PKJBJDUFWBXDCZ-ONGXEEELSA-N 472.990 4.659 50 10 JJGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593542 OUOWMMGKQPMSMQ-RUZDIDTESA-N 483.593 4.746 50 10 JJGE Fc1c(CCl)ccnc1OCc1ccc(I)c(Br)c1 2350073385 OEWIDVGNFBGUIJ-UHFFFAOYSA-N 456.480 4.906 50 10 JJGE FC1(F)CN(Cc2cc(I)ccc2Cl)CC[C@@H]1CBr 2352411305 MKRWPTWLBJTZQH-SNVBAGLBSA-N 464.519 4.797 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CC2(CC[C@H]1CBr)CC2 2365590897 DEOZNMMXIFAUMM-NSHDSACASA-N 468.560 4.724 50 10 JJGE CCCCCOc1ccccc1C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 14035803 KODXUBSCDYXLLB-UHFFFAOYSA-N 466.365 4.742 50 10 JJGE Cc1ccc(C)c(-n2c(SCC(=O)/C(C#N)=C3/Nc4ccccc4N3C)nc3ccccc3c2=O)c1 16936542 DOIJBHPSQWQDFE-QOMWVZHYSA-N 493.592 4.961 50 10 JJGE C[C@H]1CN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2ccc(Oc3ccccc3)cc2)CCN1 208010422 YTTGZVDAXFOYEO-UUOWRZLLSA-N 484.021 4.674 50 10 JJGE COc1ccc(CCNC(=O)/C(C#N)=C\c2cn(Cc3ccccc3)nc2-c2cccs2)cc1OC 208030178 OBQQNDCJALMJID-JWGURIENSA-N 498.608 4.943 50 10 JJGE Cc1cccc(NC(=O)C(=O)NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)c1 254441619 KSKCEUVCDSOIRN-UHFFFAOYSA-N 455.489 4.955 50 10 JJGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=Cc1ccc(C(=O)O)cc1 254814899 ZEBCFVKKQHQNQU-UHFFFAOYSA-N 494.623 4.924 50 10 JJGE CC(C)[C@H](CBr)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 394178381 ZSTFXZNFHSBHTA-MRVPVSSYSA-N 468.038 4.701 50 10 JJGE CC[C@@H](CCBr)CNC(=O)c1ccc(I)c(Br)c1 721606635 AEWULQZHMWBSQP-VIFPVBQESA-N 488.989 4.595 50 10 JJGE O=C(NN=Cc1ccc(OCc2ccccc2F)cc1)c1cccc(I)c1 1083955958 AZEULVHPYNEYGB-UHFFFAOYSA-N 474.273 4.773 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 1084025252 PGQGFDUNGRTGHO-NRFANRHFSA-N 471.897 4.871 50 10 JJGE CC(=NNC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 1084171362 IBPYWRSHCMKPAP-UHFFFAOYSA-N 494.375 4.868 50 10 JJGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)[C@H](C)c1ccc(CC(C)C)cc1 1084333728 RAJRFQORSPXFEM-MRXNPFEDSA-N 492.536 4.758 50 10 JJGE CCCN1C(=O)C(=NNC(=O)COc2ccc3cc(Br)ccc3c2)c2cc(C)ccc21 1772720369 LVNYZMOWZAOOED-UHFFFAOYSA-N 480.362 4.567 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1cc(Br)ccc1O 1865696447 NBVWTCRRWKTJMV-HXUWFJFHSA-N 486.329 4.621 50 10 JJGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711150 QQUMXXVDEHWAMN-RUZDIDTESA-N 488.588 4.745 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCCCOCc2ccccc2)C1 1881763362 POPBHZXTMXFWLG-NRFANRHFSA-N 489.394 4.815 50 10 JJGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1F 1915078322 PAKATZYFTCVWFU-AWEZNQCLSA-N 479.209 4.953 50 10 JJGE CC1(C)C[C@@H](Br)CN(C(=O)c2ccc(Br)cc2Br)C1 1923163555 IGRRMUAVPJRPES-SNVBAGLBSA-N 454.000 4.847 50 10 JJGE O=S(=O)(c1ccc(Br)c(CBr)c1)N(Cc1ccccc1)CC1CC1 2009710543 KYSNPXGYHNEGTP-UHFFFAOYSA-N 473.230 4.945 50 10 JJGE C[C@@H]1C[C@@H](CBr)CCN1C(=O)c1cc(Br)sc1Br 2052361676 WLVJHVPXCVWMLK-SFYZADRCSA-N 460.029 4.909 50 10 JJGE O=C(CBr)c1cc(I)cc(C(F)(F)F)c1OC(F)(F)F 2055162215 JDRIVQWMANQXBE-UHFFFAOYSA-N 476.936 4.786 50 10 JJGE CCN(C[C@](C)(CI)OC[C@@H]1CCCC(C)(C)O1)C(=O)OC(C)(C)C 2065754163 APGAMIQRBWZMOU-KXBFYZLASA-N 469.404 4.801 50 10 JJGE CC[C@@H](C)[C@H](CI)NC(=O)c1cccc(Br)c1Br 2081244918 ATAWZUDFBAGCEO-KCJUWKMLSA-N 488.989 4.791 50 10 JJGE Fc1cc2c(cc1I)nc(CCl)n2[C@]12C[C@@H]1CN(Cc1ccccc1)C2 2099679975 WGXSEDPSMRTPAE-VLIAUNLRSA-N 481.740 4.750 50 10 JJGE Clc1cc(CN2C[C@@H]3CC[C@@H](Br)C[C@H]3C2)ccc1I 2142943421 MAPYIXAXHYCSDT-RWMBFGLXSA-N 454.577 4.940 50 10 JJGE Cc1cccc(C(=O)N(CCBr)Cc2ccsc2)c1I 2171085255 LNZNCGKQZBRRTK-UHFFFAOYSA-N 464.166 4.698 50 10 JJGE Brc1cc(I)cnc1N1C[C@@H](Br)CC12CCCC2 2224091852 BYVYNALWHGEEEQ-VIFPVBQESA-N 485.989 4.735 50 10 JJGE Cc1ccc(C(=O)N[C@H](C)CCCCCI)cc1I 2224626432 ISPWDJIIUAGPMZ-GFCCVEGCSA-N 485.147 4.713 50 10 JJGE CC(C)[C@@H]1C[C@H](Cl)CN1C(=O)c1ccc(I)c(Br)c1 2344750687 ZFHNGJHWTBCKPD-GWCFXTLKSA-N 456.549 4.532 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc(Cl)cc4Cl)c(=O)c32)cc1OC 2351303 HNZDRMJKJUPKKI-QFIPXVFZSA-N 498.366 4.747 50 10 JJGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3[N+](=O)[O-])S/C2=C(\C#N)C(=O)NCc2ccccc2)cc1 16739765 VSVDWUAOJJMFND-ABPPERTMSA-N 498.564 4.646 50 10 JJGE COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(F)cc2)c(OC)c1 33893253 LNFBQFRFXXLIIA-WQRHYEAKSA-N 477.448 4.876 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@H]1c1cccc(Br)c1 38651491 QOFIWNXCGKYBQY-OAQYLSRUSA-N 492.285 4.795 50 10 JJGE CCOc1ccccc1Nc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 40659385 YBNYPXBQZYEKCN-UHFFFAOYSA-N 484.516 4.802 50 10 JJGE Cc1cccc(NCCCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)c1 59507983 UDXIDHYOCJYQIS-SSDVNMTOSA-N 469.177 4.568 50 10 JJGE COc1cc(/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101332412 RIXTYGXSVCBBIT-CAOOACKPSA-N 457.313 4.803 50 10 JJGE COc1cc(/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214309594 AXFGIKNUCVKMDE-IWIPYMOSSA-N 488.584 4.990 50 10 JJGE C[C@H](NC(=O)/C(C#N)=C\NCCc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 217204903 QSWJQTVNWONSQS-DBZAVIBRSA-N 452.396 4.745 50 10 JJGE COc1cc(/C=C(/C#N)C(N)=O)c(Br)cc1OCc1ccc(Cl)cc1Cl 218426201 RCMFIJJRXSTQPJ-QCDXTXTGSA-N 456.123 4.736 50 10 JJGE COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C/C(C)=C/c2ccccc2)c1 254568163 YMTRVZUKTUDCSG-CLNMZZHBSA-N 469.541 4.680 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCCCc2ccccc2)C1 301907869 NSTSHVUTSIJYHB-FQEVSTJZSA-N 459.368 4.841 50 10 JJGE Fc1ccc(-n2cnc(I)c2I)c(CCl)c1Cl 705760465 GJFVKWXTBTVFSU-UHFFFAOYSA-N 496.876 4.613 50 10 JJGE C[C@H](Br)[C@@H]1CCCN(C(=O)c2cc(Br)cc(Br)c2)C1 708341888 WVOAGTOPRKPJHF-VHSXEESVSA-N 454.000 4.847 50 10 JJGE CCC(=O)N1CCN(C(=O)/C(C#N)=C2/SC=C(c3ccc(C)cc3)N2c2ccc(C)cc2)CC1 1082785386 PFSLYVHKJJZZRT-SLEBQGDGSA-N 472.614 4.671 50 10 JJGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccccc2CC)ccc1OCc1ccc(Cl)cc1 1083885894 IFWFJMNIBLFMII-UHFFFAOYSA-N 479.964 4.969 50 10 JJGE Cc1cc(C=NNC(=O)CC(=O)NCCc2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084161437 DTKLDWXOSGJUBH-UHFFFAOYSA-N 471.388 4.600 50 10 JJGE COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)o2)cc1Cl 1084268893 JJUDHIQOSFBTLW-XDJHFCHBSA-N 475.932 4.642 50 10 JJGE Cc1c(C(=O)NCCc2ccccc2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744469 VPERCYHBUUASAK-UHFFFAOYSA-N 494.389 4.793 50 10 JJGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)N5CCCCC5)c(C)c43)coc2c1 1772751852 ODMDRWOEWDPJHS-UHFFFAOYSA-N 461.562 4.976 50 10 JJGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684746 XHBPPXWPSOSLAF-IBGZPJMESA-N 453.315 4.614 50 10 JJGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 1865687508 SQLIKUKTYUBIEM-HHHXNRCGSA-N 494.551 4.995 50 10 JJGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705875 IBMXPYOYIUPDOL-SFHVURJKSA-N 456.289 4.868 50 10 JJGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865708174 PUPQOLBGWKFTJQ-JOCHJYFZSA-N 464.953 4.773 50 10 JJGE CCC[C@H](NC(=O)Cc1nc(-c2cccc(C)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866650116 GQXWQJCIIGOUBV-NRFANRHFSA-N 462.575 4.998 50 10 JJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2nc(C3CC3)n3ccccc23)cc1 1866860970 WHRZFNDKUMOZMS-JOCHJYFZSA-N 481.581 4.765 50 10 JJGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(C(=O)C4CC4)CC3)n2)c1 1868505777 KLTJUQULKJTZQL-UHFFFAOYSA-N 486.601 4.528 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)n2)cc1 1872745944 KVYCRJQRDCDJSH-GYHWCHFESA-N 494.532 4.960 50 10 JJGE O=C(c1csc(Br)c1Br)N1CC[C@@H](Br)C12CCC2 1914425695 JNWLNBSNPLLCCH-MRVPVSSYSA-N 458.013 4.805 50 10 JJGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cc(F)cc(Br)c1 1916383855 QQUJPNDSXWTAKY-INIZCTEOSA-N 459.153 4.641 50 10 JJGE C[C@@](CBr)(NC(=O)c1cc(Br)c(Br)s1)C(F)(F)F 2043172018 SRMGNAPEKIQLBF-QMMMGPOBSA-N 473.934 4.719 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](O[C@H]2CC[C@@H](C(F)(F)F)CC2)[C@H](I)C1 2217090088 FIDGAOUZVIZYSC-XQHKEYJVSA-N 463.278 4.547 50 10 JJGE Cc1c(Br)cccc1CO[C@@H](CCl)[C@@H](I)CCl 2248254448 GTEPTLOQTMZSKA-RYUDHWBXSA-N 451.957 4.924 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCC2CC3(CC(F)C3)C2)C1 2260121670 ACQJKQCANMWCJT-BCOZGUIHSA-N 467.363 4.736 50 10 JJGE COCCn1c(C)cc(C=C(C#N)C(=O)OCc2csc(Nc3ccc(C)cc3)n2)c1C 2297335835 RWSYMQXKSDOEIG-UHFFFAOYSA-N 450.564 4.910 50 10 JJGE CCCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccccc2C)cc1OC 2313518101 IFMNQUXZDODZPM-UHFFFAOYSA-N 476.314 4.943 50 10 JJGE C[C@@H](Br)[C@@H](NCc1ccc(Cl)c(I)c1)C(F)(F)F 2315548075 CLOCROYNEVYEAE-LHLIQPBNSA-N 456.471 4.749 50 10 JJGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1ccc(Cl)c(Cl)c1 2320406701 QXRYYJLHBUJYMR-AWEZNQCLSA-N 467.212 4.642 50 10 JJGE COc1ccc([C@@H](C)NC(=O)C(C#N)=CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2325053664 FBJUGGXLZWWSBX-HSZRJFAPSA-N 480.612 4.687 50 10 JJGE CCN(C[C@](C)(CI)OC[C@@H](OC)c1ccccc1)C(=O)OC(C)(C)C 2336211847 JCDURPVSXSCGCW-XLIONFOSSA-N 477.383 4.841 50 10 JJGE CC(C)[C@@H]1C[C@@H](Cl)CN1C(=O)c1ccc(I)c(Br)c1 2344750689 ZFHNGJHWTBCKPD-MFKMUULPSA-N 456.549 4.532 50 10 JJGE CC1(C)C[C@@H](Br)CCN(C(=O)c2ccc(Cl)cc2I)C1 2365593418 UNQATDJLIZVNIB-JTQLQIEISA-N 470.576 4.970 50 10 JJGE COc1ccccc1C(O)(C(=O)NN(c1ccccc1)c1ccccc1)c1ccccc1OC 1068456 QPQQLRGNDHPJQE-UHFFFAOYSA-N 454.526 4.809 50 10 JJGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCc3cccnc3)oc12 33515896 ZDVYDYDSNDMTKD-BKUYFWCQSA-N 475.508 4.912 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(Cl)cc2Cl)c1[N+](=O)[O-])c1ccccc1Cl 40650208 WGOZQZYPSLRUPT-UHFFFAOYSA-N 453.673 4.846 50 10 JJGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811666 JUHVEMBZKUJHDC-TURZUDJPSA-N 479.920 4.751 50 10 JJGE Cn1c(=O)n(C)c2cc([C@H](Br)c3sccc3Cl)c(Br)cc21 159115594 UPRXXWHKQPGYIX-LBPRGKRZSA-N 450.583 4.839 50 10 JJGE CC(C)(C)c1cc(/C=N/NC(=O)c2cc(-c3cccs3)nc(O)n2)cc(C(C)(C)C)c1O 169923535 RTLBTZGWSOHMPK-DHRITJCHSA-N 452.580 4.975 50 10 JJGE N#Cc1cc(Br)ccc1OCC(=O)NN=Cc1cn(Cc2ccccc2)c2ccccc12 252597904 CVZQJYPMEFXKAP-UHFFFAOYSA-N 487.357 4.853 50 10 JJGE CCOc1ccc(-n2c(SCC(=O)NN=C/C=C/c3ccco3)nnc2-c2ccccc2)cc1 254463878 SXYBXJWRLLXSPP-KKJIROOGSA-N 473.558 4.834 50 10 JJGE CC(=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 254735018 RJXCXCQODRETQW-UHFFFAOYSA-N 486.557 4.783 50 10 JJGE C[C@@]1(CBr)CCCN(C(=O)c2cc(Br)ccc2Br)C1 688136355 PITOJYQOGYFYJF-AWEZNQCLSA-N 454.000 4.849 50 10 JJGE CC(C)C[C@H](CBr)NC(=O)c1ccc(I)c(Br)c1 721608266 FYQNOKDUBUTJIU-SNVBAGLBSA-N 488.989 4.593 50 10 JJGE CCOC(=O)c1c(-n2c(C)cc(C=NNC(=O)CC[C@@H](O)c3ccccc3)c2C)sc(C)c1C 1084635440 ACGUAIGTIAYWLG-JOCHJYFZSA-N 481.618 4.913 50 10 JJGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772748711 CTTMPBJMQMWSBE-KRWDZBQOSA-N 489.547 4.944 50 10 JJGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)c1 1772751011 FRXKMKIBVXVPCO-UHFFFAOYSA-N 498.539 4.876 50 10 JJGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865695687 GMBRSRYHTMYCNG-FQEVSTJZSA-N 495.377 4.901 50 10 JJGE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705079 LOJRYLQAHJEAFA-XMMPIXPASA-N 462.509 4.872 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865709040 MCCBVIYWULUKGT-HSZRJFAPSA-N 496.498 4.662 50 10 JJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1 1865709456 VMMHMQYTAOWZNQ-QHCPKHFHSA-N 480.499 4.742 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cccc(F)c1)C(C#N)=C(N)O2 1865711202 SDONGZUBIPCOBP-IBGZPJMESA-N 453.315 4.945 50 10 JJGE C[C@@H]1CC[C@](CBr)(NC(=O)c2c(Br)cccc2Br)C1 1880882672 PUIYUBRBJJQZEM-OTYXRUKQSA-N 454.000 4.895 50 10 JJGE CC(C)[C@H]1C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)CN1C(=O)OCc1ccccc1 1903379341 LOHBLAODADNOIK-NHCUHLMSSA-N 497.727 4.918 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@]2(CCC[C@@H]2Cl)C1 1918933489 GVKUFUZGLNFWIC-ZFWWWQNUSA-N 468.560 4.677 50 10 JJGE FC1(F)[C@@H]2COC[C@]21[C@H](Br)c1cc(Br)c(Br)s1 1998633376 DRWXMVCSSTVTAH-ZXFLCMHBSA-N 452.940 4.991 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@]12C[C@@H](CBr)C2 2125794016 UIYUPBARROSPBA-KMHCFJFGSA-N 451.984 4.601 50 10 JJGE C[C@H](Br)CCc1cn(Cc2c(Br)cccc2Br)nn1 2132765263 YPVDMPAHOXGCNQ-VIFPVBQESA-N 451.988 4.567 50 10 JJGE BrCCCO[C@H]1CCN(Cc2cccc(Br)c2Br)C1 2142047356 ZFNZFZQGQKDOOJ-LBPRGKRZSA-N 456.016 4.588 50 10 JJGE CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1CNC(=O)[C@@H](Br)C1CCCC1 2194002178 FRFHYCIFGWCKHI-WBVHZDCISA-N 457.434 4.652 50 10 JJGE O=C(NC[C@]12CCC[C@@]1(CBr)C2)c1cc(Cl)ccc1I 2208040316 RBUFXUIZLMRFRU-LSDHHAIUSA-N 468.560 4.630 50 10 JJGE CCN([C@@H]1CCC[C@@H]1Br)S(=O)(=O)c1cc(Br)ccc1Br 2232599643 HRNALIAXWANSSQ-CMPLNLGQSA-N 490.055 4.538 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CCC[C@H](CCCBr)C1 2234183214 XSTIJNRRDXRUHJ-NSHDSACASA-N 470.576 4.972 50 10 JJGE CC[C@@H](Br)[C@H]1CCCCN1C(=O)c1c(F)cccc1I 2282782915 DYRVAMDOOJSKCC-ZWNOBZJWSA-N 454.121 4.599 50 10 JJGE C=CC[C@@]1(CBr)CCCN1C(=O)c1ccc(Cl)c(I)c1 2287744672 ICVDOAJTIFXJMG-HNNXBMFYSA-N 468.560 4.890 50 10 JJGE C[C@@H](Br)[C@H](NC(=O)Cc1cc(Br)cc(Br)c1)C(F)(F)F 2295311411 KLOPEGVZGYPEQI-KBUNVGBDSA-N 481.932 4.585 50 10 JJGE Cc1cccc(NC(=O)C(C#N)=Cc2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)c1 2314532540 KRVMBCXPMAYCMJ-UHFFFAOYSA-N 450.498 4.958 50 10 JJGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(Cl)c3)c(Oc3ccccc3)nc12 2314533142 OYOXFQYDVPNYOB-UHFFFAOYSA-N 456.889 4.994 50 10 JJGE COc1ccc(N(C(=O)C(C#N)=Cc2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1Cl 2314777620 NBDDHBMVHYJPQO-UHFFFAOYSA-N 496.972 4.995 50 10 JJGE COc1cc(C=NNC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)cc(Br)c1O 2321242932 QZDSUGHRQGJWTL-UHFFFAOYSA-N 476.277 4.576 50 10 JJGE C[C@@H](NC(=O)C(C#N)=CNc1ccc(I)cc1)c1ccc2c(c1)CCCC2 2325118592 QNFARCBURQKQMK-OAHLLOKOSA-N 471.342 4.867 50 10 JJGE CCOc1ccc([C@H](Br)c2c(Br)ncn2C)c(Br)c1 2337272923 OWJYHSLQIPTNRV-NSHDSACASA-N 452.972 4.828 50 10 JJGE CCN(CC)c1ccc(/C=N/NC(=O)COc2c(C)cc(Br)cc2Br)cc1 12482782 BVDFWVXHTWWBML-FSJBWODESA-N 497.231 4.895 50 10 JJGE CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc3ccccc3c2Br)c(O)c1 12575682 CUFZCMSIHKBRHT-AFUMVMLFSA-N 470.367 4.683 50 10 JJGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)c1 214205671 BNKYPYRZAIMVMJ-HAHDFKILSA-N 452.514 4.550 50 10 JJGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3csc(Br)c3)cc2[nH]1 232483829 VPJDMBOSWAISGV-NSHDSACASA-N 466.980 4.927 50 10 JJGE O=C(CNc1ccc(Br)cc1Br)NN=Cc1c(O)ccc2ccccc12 252639348 YJUPUBXYKDZLHM-UHFFFAOYSA-N 477.156 4.633 50 10 JJGE C[C@@H](Br)C[C@H]1CCCN1C(=O)c1cc(Br)ccc1Br 382121450 UXEOURHOBSKQIC-MWLCHTKSSA-N 454.000 4.990 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(F)cc2F)C1 382722526 OFWZBYACEWPCLL-WMLDXEAASA-N 457.258 4.752 50 10 JJGE CCOC(=O)CCN(Cc1cccnc1)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C 743837614 DENQTYUYZFYZTG-HZHRSRAPSA-N 474.536 4.517 50 10 JJGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 746180664 KLIDPRXOJPFDEY-UHFFFAOYSA-N 473.514 4.664 50 10 JJGE CC1=C(C(=O)NN=Cc2ccc(Cl)cc2Cl)[C@H](c2ccc(Br)cc2)NC(=O)N1 1084453805 IXVGRAJECBNFGV-KRWDZBQOSA-N 482.165 4.534 50 10 JJGE CCCN(CCC)c1ccc(C(=O)NN=C2C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 1084556729 HXVNKXOAKHBISF-UHFFFAOYSA-N 499.571 4.902 50 10 JJGE C=CC(=O)N1CCC(C(=O)N2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)(c2ccccc2)CC1 1629349773 MRZTXORFBFCIHZ-JOCHJYFZSA-N 456.703 4.746 50 10 JJGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(OC)c1OC 1772755171 RXTATEAWBQBFAJ-UHFFFAOYSA-N 477.995 4.732 50 10 JJGE COc1cccc(OCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3)c(OC)c2)c1 1772756424 YGSVCQYLIXUFQC-UHFFFAOYSA-N 499.361 4.574 50 10 JJGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCCc2ccccc2)c(OC)c1 1865688231 NMGOLRZMUPYOLP-HXUWFJFHSA-N 484.478 4.770 50 10 JJGE COC(=O)c1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)o1 1872728800 UXGNMDSGSHOUSR-XDHOZWIPSA-N 460.486 4.773 50 10 JJGE C[C@@H]([C@H](Br)c1c(Br)sc(Br)c1Cl)S(C)(=O)=O 1923070562 CGUHTTIYOCQSSZ-UCORVYFPSA-N 475.449 4.796 50 10 JJGE Brc1cccc(Br)c1CN1C[C@H](Br)C[C@]2(CCCO2)C1 1924251415 MLXCTFXZSQMJNK-IAQYHMDHSA-N 468.027 4.730 50 10 JJGE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1[C@@H](O)CBr 1951631093 HEXOCLZSGXLRNR-JTQLQIEISA-N 473.987 4.987 50 10 JJGE O=C(c1csc(Br)c1Br)N1CC(F)(F)C[C@@H]1CBr 2041126070 AFMHCOQWQANYKA-RXMQYKEDSA-N 467.955 4.518 50 10 JJGE CCC[C@H](Cl)c1cn(-c2cc(I)cc(I)c2)nn1 2057427171 NPBOTGLNGYKDGK-NSHDSACASA-N 487.510 4.557 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H]2CCC[C@@]2(CBr)C1 2103171002 GCDHAZXDROXVRT-AMIZOPFISA-N 472.040 4.910 50 10 JJGE CCCC(CBr)(CCC)CN=[S@@]1(=O)CC[C@H](CNC(=O)OC(C)(C)C)C1 2106781199 FXPIWXHCAKNONT-AKJBCIBTSA-N 453.487 4.981 50 10 JJGE CN([C@@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1 2123211002 SCUQUNLZBKAYEL-RTBURBONSA-N 458.805 4.603 50 10 JJGE O=C(NC[C@H]1CCCC[C@@H]1Cl)c1ccc(Br)cc1I 2142284403 BQIJQDUCZLUFAZ-SKDRFNHKSA-N 456.549 4.581 50 10 JJGE FC(F)(F)[C@H]1CN(Cc2ccccc2)CCN1c1nc2sccn2c1CBr 2186711571 KAOBGMKDJMZQNS-OAHLLOKOSA-N 459.335 4.544 50 10 JJGE O=C(NC[C@@]1(CBr)C[C@H]1C(F)(F)F)c1cc(Br)c(Br)s1 2192577240 CPUAZEYPDJZKJW-XCBNKYQSSA-N 499.972 4.966 50 10 JJGE ClC[C@]12CCCC[C@@H]1CN(c1ncc(I)cc1Br)C2 2230625897 VXZOQHMVAHJIQY-YGRLFVJLSA-N 455.565 4.684 50 10 JJGE Cc1ccc(C(=O)N[C@@]2(CBr)CCCC2(C)C)cc1I 2232839538 WUFYLQOFKMZBRZ-MRXNPFEDSA-N 450.158 4.673 50 10 JJGE Fc1ccc([C@@H](CI)OCCOCCOCCOCc2ccccc2)cc1 2236090203 WROPIZVDSJIHJT-OAQYLSRUSA-N 488.337 4.568 50 10 JJGE C[C@@]1(CNC(=O)c2ccc(I)c(Br)c2)CCC[C@@H]1Cl 2271305116 KJXXDVLMOIOQLU-JSGCOSHPSA-N 456.549 4.581 50 10 JJGE C=CC[C@]1(CBr)CCCN(C(=O)c2csc(I)c2)C1 2272179086 JWCRKGIFBODKQJ-CQSZACIVSA-N 454.171 4.546 50 10 JJGE O=S1(=O)CCC[C@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272854377 PLGPFXDNQDIASF-CBAPKCEASA-N 482.966 4.503 50 10 JJGE Brc1ccc([C@H](CI)OC2(C3CCCC3)COC2)cc1 2288591550 XPKIGSCWADPWJG-HNNXBMFYSA-N 451.142 4.901 50 10 JJGE N#CC(C(=O)NCc1ccco1)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 2293039142 IDOYFWYOZMMFSU-OAQYLSRUSA-N 481.936 4.815 50 10 JJGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC(C)C)c(OC)c2)sc2c1CCCC2 2296833349 YZUTUZKTRSOFRG-UHFFFAOYSA-N 454.548 4.755 50 10 JJGE CCOC(=O)C(C#N)=Cc1ccc(-c2c(Br)cc([N+](=O)[O-])cc2Br)o1 2297100555 HIQFZGUGADYPPX-UHFFFAOYSA-N 470.073 4.850 50 10 JJGE O=C(C=Cc1ccccc1Cl)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 2313621498 YIOJDLGWHBFKMY-UHFFFAOYSA-N 450.372 4.557 50 10 JJGE Cc1ccc(C(=O)CCC(=O)NNC(=O)C=Cc2cccc(OCc3ccccc3)c2)c(C)c1 2321193340 AVMBHBJEYFZHDE-UHFFFAOYSA-N 456.542 4.706 50 10 JJGE COc1cc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OCc1ccccc1Cl 2328799926 WVVZWNUCZKVRSR-QFIPXVFZSA-N 490.000 4.927 50 10 JJGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc(NS(C)(=O)=O)cc3)n2)cc1C 2331402854 YTSNORKTIFOABN-UHFFFAOYSA-N 455.561 4.757 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CC[C@H]2C[C@H](Cl)CC[C@H]21 2358308594 IPNFHXDXIRZKIJ-DRCTWCGVSA-N 468.560 4.676 50 10 JJGE CC(C)(C)OC(=O)N1CC(N(CC2CCCCC2)C[C@@]2(CBr)CC2(F)F)C1 2379985059 FASXSOZHNFDYSC-IBGZPJMESA-N 451.396 4.908 50 10 JJGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 10295538 SJQJNXVHCMSVHU-CQSZACIVSA-N 498.432 4.665 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)c1 38650258 ALKLSSCAYOQCFH-QFIPXVFZSA-N 477.860 4.694 50 10 JJGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 39858548 LDPDZZUEUNURSZ-HKWRFOASSA-N 450.498 4.958 50 10 JJGE Cc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3cc(C)cc(C)c3)nc3ccccn3c2=O)c1 39993039 QYRLLYUDBDTBNK-HMMYKYKNSA-N 450.498 4.958 50 10 JJGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812070 HSWPNHFAYKADFY-WPWMEQJKSA-N 460.515 4.626 50 10 JJGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 101335500 LAMAJSOWDCRUFC-RGVLZGJSSA-N 471.340 4.811 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C)cc3)n2-c2ccc(OC)cc2)cc1 254820262 VKZIKCCPYJVADM-UHFFFAOYSA-N 487.585 4.502 50 10 JJGE Oc1c(Br)cccc1[C@@H]1CN(Cc2ccccc2)C[C@@H]1CI 394777222 FOTUCUBOHXAQJN-GOEBONIOSA-N 472.164 4.805 50 10 JJGE C[C@]1(CBr)CCCCN1c1ncc(C(F)(F)F)cc1I 722978987 AMIIRCUJCHBMIQ-GFCCVEGCSA-N 463.079 4.849 50 10 JJGE CCOc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1OC 725379780 RLAFSKQGHGRFCH-RTBURBONSA-N 495.357 4.881 50 10 JJGE CC(C)(C)c1ccc(C(=O)NNC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)cc1 730998147 MECVHEXSTWWOML-UHFFFAOYSA-N 482.318 4.581 50 10 JJGE C[C@H](Sc1ccccn1)C(=O)NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 1084482690 XWWPRKFFFSYQEG-AWEZNQCLSA-N 485.396 4.936 50 10 JJGE O=C(COc1ccccc1-c1ccccc1)NNC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 1086999962 ZKWRYPPJXWYDJP-NHCUHLMSSA-N 454.448 4.702 50 10 JJGE C=CC(=O)N1CCC(C(=O)NNc2ccc(Cl)c(C(F)(F)F)c2)(c2ccccc2)CC1 1632195153 FKHUGCYZBCDXQO-UHFFFAOYSA-N 451.876 4.548 50 10 JJGE C=CCOc1cccc(NC(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1 1668343163 MXPKDEPHIVQTAV-UHFFFAOYSA-N 453.502 4.571 50 10 JJGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2CC 1865693696 QDHQVLVHAHLFJX-NRFANRHFSA-N 460.534 4.594 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1865700042 JPCOUYOGXDRWFG-JOCHJYFZSA-N 469.932 4.874 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)ccc1OC(=O)c1ccccc1 1865705160 NQZJUKKJPICFCB-AREMUKBSSA-N 492.535 4.935 50 10 JJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1 1865708787 FZSKTVCNBCNKTP-MRXNPFEDSA-N 474.826 4.549 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865713096 QRGSZMIQQHCVEQ-DEOSSOPVSA-N 482.515 4.973 50 10 JJGE Cc1c(C(F)(F)F)cccc1S(=O)(=O)N(CCCBr)Cc1ccccc1 1914647950 MQXDBRDYSIYKFA-UHFFFAOYSA-N 450.320 4.990 50 10 JJGE CCC[C@H](CBr)CNC(=O)c1ccc(I)c(Br)c1 2057128895 RXJCEGVQZKTOBU-SECBINFHSA-N 488.989 4.595 50 10 JJGE COc1sc([C@H](Br)c2c(Br)nn(C)c2C)cc1Br 2067854498 GGRIUFONXDJYRJ-VIFPVBQESA-N 459.001 4.808 50 10 JJGE CCc1nn(C)c(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)c1Br 2072299744 BESZHXJBBIVRTA-INIZCTEOSA-N 469.221 4.561 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H](Br)C1)c1cccc(Br)c1Br 2092339661 GXSYIYVVVKNAST-NXEZZACHSA-N 454.000 4.895 50 10 JJGE O=C(NC[C@H]1CCCC[C@@H]1Br)c1cccc(Br)c1Br 2092339668 GYWWTLNBRHWVCY-KOLCDFICSA-N 454.000 4.895 50 10 JJGE O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N1CC[C@H](OCc2ccccc2)C1 2123254809 QBHOCKSUZGIMMA-AWEZNQCLSA-N 479.223 4.868 50 10 JJGE C=CC[C@](C)(CBr)CNC(=O)c1cccc(Br)c1Br 2137190789 FEMFZTQPKNIGAB-CQSZACIVSA-N 454.000 4.919 50 10 JJGE CN(C(=O)c1c(Br)cccc1Br)C1(CCBr)CCC1 2140934346 MBTIMNMHPJFFMV-UHFFFAOYSA-N 454.000 4.991 50 10 JJGE CCOC(=O)C12CC(CI)(C1)O[C@H]2c1cccc(NC(=O)OC(C)(C)C)c1 2162150726 YPAOIHLTBJDGPG-VMEOHVCESA-N 487.334 4.622 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1C[C@@H]2CCC[C@H](C1)C2Br 2167781720 OOAHSMCTEJPDBV-XFLKPENQSA-N 468.560 4.580 50 10 JJGE Cn1cc([C@@H](Br)c2cc(Br)cc3c2OCCC3)c(Br)n1 2173183570 QQCQAUFQHQUDMF-LBPRGKRZSA-N 464.983 4.754 50 10 JJGE O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N1CCC(=CBr)C1 2179833530 CCXYCYUQONWYNM-UHFFFAOYSA-N 464.006 4.562 50 10 JJGE CCOC(=O)c1ccccc1NC(=O)C(C#N)=Cc1ccc(OC(=O)c2ccc(C)cc2)cc1 2293038613 OSUVSTHSUZGWKH-UHFFFAOYSA-N 454.482 4.937 50 10 JJGE C[C@@H]1C[C@H](Br)[C@@H](C)N(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295312883 BYWPSAMACXBBRJ-RULNRJAQSA-N 468.027 4.775 50 10 JJGE N#CC(=Cc1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)C(=O)NCc1ccccc1 2296964713 ZHXMOPWLEBBMJP-UHFFFAOYSA-N 452.489 4.642 50 10 JJGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc(Br)c(F)c1 2303537628 GOGYERWRIDQJIU-OAHLLOKOSA-N 459.153 4.688 50 10 JJGE O=C(c1cc(Br)sc1Br)N1[C@H]2CC[C@H](C2)[C@H]1CBr 2310099631 RAQVKRJCTSMFDP-BKPPORCPSA-N 458.013 4.661 50 10 JJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)C(C#N)=C2C)cc1C 2314617695 SWAQJGXPDHDHPN-UHFFFAOYSA-N 464.525 4.635 50 10 JJGE Cn1nc(Br)c(Br)c1[C@@H](Br)Cc1ccc(Cl)cn1 2316718531 UTXYAQYXLBDYSO-QMMMGPOBSA-N 458.379 4.672 50 10 JJGE BrC[C@@H]1[C@@H]2CC[C@@H](C2)N1Cc1ccc(I)c(Br)c1 2325228166 BOIFXMAUCUMMLG-UHIISALHSA-N 485.001 4.802 50 10 JJGE Cc1ccccc1COc1ccccc1C=NNC(=O)COc1ccc2c(C)cc(=O)oc2c1 2328804022 HRJSONQRJYDSCZ-UHFFFAOYSA-N 456.498 4.518 50 10 JJGE N#CC(=C(O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2ccc(F)c(F)c2)cs1 2331352400 QZAGOMKQOIOCDV-UHFFFAOYSA-N 459.861 4.960 50 10 JJGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242400 SAZFADTWMZVFAQ-FYAMCCBRSA-N 487.581 4.729 50 10 JJGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)C1=O 101335298 NWKZYQBYDOHKKW-DHRITJCHSA-N 496.611 4.579 50 10 JJGE CC(C)n1ncnc1CC(CBr)(CBr)c1ccc(Br)cc1 118878605 YPKPJIOXZLHRKW-UHFFFAOYSA-N 480.042 4.892 50 10 JJGE O=S(=O)(c1cc(Br)ccc1Br)N(CCBr)C1CCCC1 147296191 IQARZDGXOKIOKA-UHFFFAOYSA-N 490.055 4.540 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C)s3)n2-c2ccccc2)cc1 254560455 VGITXEDSVFOFSW-UHFFFAOYSA-N 463.588 4.555 50 10 JJGE C[C@@H]1CCCN(C(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)C1 256020044 UALGXJUZIFPPRB-NSLUBLRVSA-N 486.086 4.931 50 10 JJGE Fc1cc2c(cc1I)nc(CCl)n2-c1cncc(Br)c1 379931690 TXGIJYQSIFAEDJ-UHFFFAOYSA-N 466.479 4.666 50 10 JJGE CC(C)(CBr)CCCNC(=O)c1ccc(I)c(Cl)c1 393378792 DYSBIHOUFWDRKU-UHFFFAOYSA-N 458.565 4.876 50 10 JJGE Cc1nccnc1COc1c(Br)cc(Br)cc1CBr 687302074 YRCWTBAMMZCYHM-UHFFFAOYSA-N 450.956 4.784 50 10 JJGE Clc1ccc(I)c(CN2CCS[C@H](CCBr)C2)c1 720065722 DKOACOHOAOHBFN-GFCCVEGCSA-N 460.606 4.647 50 10 JJGE CC[C@H](C)N(CCBr)C(=O)c1ccc(I)c(Br)c1 721612185 HSRCCRLLECDMMM-VIFPVBQESA-N 488.989 4.689 50 10 JJGE CCOc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1OC 725379778 RLAFSKQGHGRFCH-OALUTQOASA-N 495.357 4.881 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 1084324286 KUHBQYIKYLOYNQ-RUZDIDTESA-N 477.517 4.536 50 10 JJGE O=C(NNC(=O)c1ccc(Br)cc1)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 1116005723 OKIBZARHJMJXBA-QFIPXVFZSA-N 480.362 4.508 50 10 JJGE C#CC[C@@H](NC(=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1 1151314901 SBYJYXLYQGIPSJ-HHHXNRCGSA-N 455.674 4.834 50 10 JJGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(N(C)C)cc2)c1 1865684312 WHXSMCPBOLWRRP-FQEVSTJZSA-N 467.495 4.851 50 10 JJGE C[C@H](N)Cc1cc(Br)c(OC[C@H]2C[C@@H](Br)C2)c(Br)c1 1887900554 FQAILLCPXCLVNJ-INTQDDNPSA-N 456.016 4.654 50 10 JJGE Cn1cc(Cl)c([C@@H](Br)c2sc(Cl)cc2I)n1 1900924107 HEPFBDKFABEQSN-SSDOTTSWSA-N 451.942 4.877 50 10 JJGE O=C(c1csc(Br)c1Br)N1CCCC[C@H](CBr)C1 2032954125 XEBXZUGUVUBSEY-MRVPVSSYSA-N 460.029 4.910 50 10 JJGE CN([C@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(Br)c(CCl)c1 2100206642 FNYCVSDWUULNJT-RBUKOAKNSA-N 458.805 4.556 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@@H](Br)CC12CC2 2113558361 IUBHSCLAGODILY-SECBINFHSA-N 451.984 4.744 50 10 JJGE CN(C(=O)c1cc(Br)cc(Br)c1)[C@H](CCBr)C(F)F 2121994195 FLNNSGHRAICKNR-SNVBAGLBSA-N 463.942 4.702 50 10 JJGE CC(C)[C@H]1[C@@H](Br)CCN1C(=O)c1ccc(I)c(Cl)c1 2126102919 VHKCQXNGCQTCSU-GWCFXTLKSA-N 456.549 4.579 50 10 JJGE F[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(I)c(Cl)c1 2142946160 ZENLVXOTAUTSFR-QOBDMFJFSA-N 458.540 4.783 50 10 JJGE Cc1cccc(C(=O)N2CCC[C@@H](CCBr)CC2)c1I 2149737632 DEHWZPKPSODOEK-ZDUSSCGKSA-N 450.158 4.627 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H]2CCC[C@@]2(CBr)C1 2159411257 XPAPPGYHOWBELA-XHDPSFHLSA-N 466.011 4.849 50 10 JJGE CC[C@@H](Br)[C@@H]1CCCCN1C(=O)c1cccc(C)c1I 2170618023 YBPGBAZECPQYKH-KGLIPLIRSA-N 450.158 4.768 50 10 JJGE O=S(=O)(c1ccc(CBr)c(Cl)c1)N1CCCN(Cc2ccccc2)CCC1 2179780889 UAWBXLFWTMTHKZ-UHFFFAOYSA-N 471.848 4.522 50 10 JJGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ccc(CBr)cc1Cl 2179792615 IOFAKEPQTLNGCH-CVEARBPZSA-N 471.848 4.518 50 10 JJGE C[C@H](CBr)CC1CN(C(=O)c2csc(Br)c2Br)C1 2222958880 ZUKDMWCEUUZSKH-ZETCQYMHSA-N 460.029 4.766 50 10 JJGE C[C@]1(CBr)CC(F)(F)CN1C(=O)c1ccc(Cl)c(I)c1 2283664244 QAQNGXIWJNFSDN-GFCCVEGCSA-N 478.502 4.579 50 10 JJGE Brc1cc(C[C@H]2CCOCC[C@@H]2Br)ccc1I 2306210385 ILCWUATVZKBJTR-MNOVXSKESA-N 473.974 4.786 50 10 JJGE CC1CCC([C@H](CBr)NC(=O)c2csc(I)c2)CC1 2351624518 SRTZWHMRTNBKRU-CBINBANVSA-N 456.187 4.672 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1[C@H]2CCC[C@H]2C[C@@H]1CBr 2354693539 AKZRNEAOQIJYMY-PXWWUCIGSA-N 468.560 4.723 50 10 JJGE O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(Cl)cc1Cl 1948720 LHNPCNIWJBPHIQ-KPSZGOFPSA-N 466.944 4.988 50 10 JJGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 58889677 YLWDZXOKXGQXPS-IEZSBWOXSA-N 452.938 4.892 50 10 JJGE O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1cccc(Cl)c1 59147995 IPQGYDYJISASAH-QLYXXIJNSA-N 482.765 4.826 50 10 JJGE CCOC(=O)c1sc2ncnc(NNC(=O)CCCOc3ccc(Cl)cc3Cl)c2c1C 96470029 DXZMXHZOPFVGPQ-UHFFFAOYSA-N 483.377 4.786 50 10 JJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 101340280 UUGAUGMHRMTMPT-HZHRSRAPSA-N 483.480 4.698 50 10 JJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc(F)cc2)cc1OC 254819244 QCTLUEGPVNEQBW-UHFFFAOYSA-N 472.472 4.979 50 10 JJGE O=S(=O)(N[C@H](CBr)C1CCCCC1)c1cc(Cl)c(Br)s1 385996247 BSMPIDHHSJIYEH-SNVBAGLBSA-N 465.660 4.786 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 398842256 PFKNBGSBNGWDSH-XHNCKOQMSA-N 472.040 4.909 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CCCC[C@H](CBr)C1 696724077 VBWBLPQUPRADCV-MRVPVSSYSA-N 460.029 4.910 50 10 JJGE Oc1nc2ccc([C@@H](Cl)c3ccc(I)c(Br)c3)cc2[nH]1 721608117 DRDOTEDBGVIETK-ZDUSSCGKSA-N 463.500 4.964 50 10 JJGE C=CCC[C@H](NC(=O)NNC(=O)c1cnn(-c2ccccc2)c1)c1ccc(C(F)(F)F)cc1 1230693136 CBTMMFJUQMVMHM-FQEVSTJZSA-N 457.456 4.543 50 10 JJGE CC(=O)c1cccc(OCCCC(=O)NNc2ccc(Br)cc2C(F)(F)F)c1 1542884386 KQEWALSGWOGOQX-UHFFFAOYSA-N 459.262 4.973 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)c1 1865711651 DQRMZRNRCBCSFJ-MRXNPFEDSA-N 491.267 4.880 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1ccc(Br)cc1 1865714495 LUCIJFSDPQYCRP-HXUWFJFHSA-N 470.330 4.915 50 10 JJGE CCc1ccc(OCCCC(=O)NNC(=S)c2cccc(Cl)c2)c(Br)c1 1865846407 YAHLKFVHAAIVCM-UHFFFAOYSA-N 455.805 4.820 50 10 JJGE COc1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C#N)cc2Br)cc1 1866126745 LJIGHKWZLPMOMQ-AWNIVKPZSA-N 461.113 4.638 50 10 JJGE COc1ccc(OC)c(C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)c1 1872759753 YUOFUUBASDFXPL-ZPHPHTNESA-N 468.531 4.888 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CC[C@H](C(F)(F)CBr)C1 1892715787 STZBNARHIXNMRU-LURJTMIESA-N 481.982 4.765 50 10 JJGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1CC(Br)C1 1893144329 OORLXSZVPDXJDQ-PVWAMWICSA-N 485.422 4.839 50 10 JJGE Cc1c(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)nn(C)c1Br 2002828929 JURRZMVYHPBUJG-HNNXBMFYSA-N 457.210 4.553 50 10 JJGE Cn1cc(Br)c(C[C@H](CBr)Cc2ccccc2Br)n1 2087324585 ALHZPGKNXDUNRT-SNVBAGLBSA-N 451.000 4.741 50 10 JJGE C[C@@H]1C[C@H](Br)CCN(C(=O)c2cc(Br)cc(Br)c2)C1 2103284677 GNCSJZHJOURWBB-MWLCHTKSSA-N 454.000 4.847 50 10 JJGE CC[C@H]1CN(C(=O)c2cccc(Br)c2Br)C[C@@H]1CBr 2140786350 PHBSIPYWTQXRDY-UWVGGRQHSA-N 454.000 4.705 50 10 JJGE CC[C@@H]1CN(C(=O)c2c(Br)cccc2Br)C[C@H]1CBr 2140789983 VMJSEOZTKCMDSY-NXEZZACHSA-N 454.000 4.705 50 10 JJGE COc1cc(CBr)ccc1S(=O)(=O)N(CCC(F)(F)F)Cc1ccccc1 2179860602 UVDVERNIDCFKQB-UHFFFAOYSA-N 466.319 4.733 50 10 JJGE O=C(c1cccc(Br)c1Br)N1[C@H]2CC[C@@H]1C[C@@H](CBr)C2 2184574194 KTGFOFKMMJZNDX-RTCCRHLQSA-N 466.011 4.990 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2184576826 GFUXIZRICKULBH-YHPBZONMSA-N 466.011 4.990 50 10 JJGE O=C(NC[C@@]1(CBr)CC12CCC2)c1ccc(Cl)c(I)c1 2283659334 IJCHRDLCFDNCTD-HNNXBMFYSA-N 468.560 4.630 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1[C@H](CBr)C[C@H]2CCC[C@H]21 2283662882 LEKQDHRXIJSNDS-OLUVUFQESA-N 468.560 4.723 50 10 JJGE O=C(N[C@]1(CBr)C[C@H]2CC[C@H]1C2)c1cc(Br)cc(Br)c1 2283924152 OLEWADIWUIFQNL-ZSGNIPIJSA-N 466.011 4.895 50 10 JJGE COc1ccc([C@H](Br)c2ccc3nsnc3c2)cc1I 2285004437 DBENDTMXFXJUEM-AWEZNQCLSA-N 461.122 4.789 50 10 JJGE CC(C)(C)[C@H](CBr)CNC(=O)Cc1cc(Br)cc(Br)c1 2295307630 MLFBISYVFAHWGX-LLVKDONJSA-N 470.043 4.928 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1O 2313518097 HZUZMRVRCJYYOI-UHFFFAOYSA-N 462.287 4.558 50 10 JJGE COc1cc(C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314618809 USKBSZIEYCGAMZ-UHFFFAOYSA-N 472.472 4.799 50 10 JJGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Cl)cc2Cl)c(OCC)c1 2314736171 YKHPGQZLKXOHLV-UHFFFAOYSA-N 464.301 4.847 50 10 JJGE CC1(C)CC[C@H](CBr)N(C(=O)c2ccc(Cl)cc2I)C1 2365589453 VQVCBCZOKQJPDE-LLVKDONJSA-N 470.576 4.970 50 10 JJGE CN(CC[C@@H](Br)c1cccs1)S(=O)(=O)c1sccc1Br 2366234343 XLQWAWXWONVWMC-SECBINFHSA-N 459.250 4.719 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(C)(C)C)CN(C[C@]2(CBr)CC2(F)F)C1 2379988205 VNUFSAZODMOPJM-QMTMVMCOSA-N 453.412 4.916 50 10 JJGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)c1OCc1ccccc1Cl 1471924 RLOLVVYSINGAET-OAQYLSRUSA-N 463.921 4.533 50 10 JJGE Cc1ccccc1C[C@H]1S/C(=C(\C#N)C(=O)NCCc2ccccc2)N(c2ccc(F)cc2)C1=O 1888902 IRFNWHKFBUWFCT-NJEMLTPYSA-N 485.584 4.919 50 10 JJGE COc1ccc(CCNC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)nc2-c2cccs2)cc1OC 16436282 OBQQNDCJALMJID-CJLVFECKSA-N 498.608 4.943 50 10 JJGE CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 20572869 RCHARFCIODMHBA-BYWZACNXSA-N 472.295 4.524 50 10 JJGE CCCOc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OCC 38608642 WEILDBULTZHTTQ-XQNSMLJCSA-N 474.557 4.718 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1cccc(Cl)c1 38651146 QFVLTJWPRFUARA-QHCPKHFHSA-N 450.853 4.682 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1ccc(Br)cc1 38651590 OGOCLCCYLNFPOZ-QHCPKHFHSA-N 495.304 4.791 50 10 JJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1 38683530 BDPNBWGMHFSPKH-AREMUKBSSA-N 498.535 4.945 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccncc2)CCC3)c(Br)c1 40814044 HYDQGDIVDRQOIZ-OVVQPSECSA-N 481.350 4.777 50 10 JJGE Cc1ccc(COc2ccc(/C=N/NC(=O)COc3cccc(Br)c3)cc2)cc1 40911757 LBKPPRPNMWFWSQ-AFUMVMLFSA-N 453.336 4.866 50 10 JJGE O=C(N[C@@H]1CCCC[C@@H]1CBr)c1cc(Br)c(Br)s1 231612106 FOVUOMQAWALYEU-VXNVDRBHSA-N 460.029 4.957 50 10 JJGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/NC(=O)c1ccc(Br)cc1 253575446 UPHCFPVUMQKSSK-PCLIKHOPSA-N 466.383 4.697 50 10 JJGE BrC[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cccc(I)c1 382702498 PRTLSDRCPDMCLE-FUHWJXTLSA-N 456.165 4.902 50 10 JJGE C[C@@H](Br)[C@H]1CCCN(c2ncc(C(F)(F)F)cc2I)C1 686112919 PFLMDLCLHPNCDM-BDAKNGLRSA-N 463.079 4.705 50 10 JJGE CCn1c(C)nnc1COc1c(Br)cc(Br)cc1CBr 697722336 AIENVSPVODUUGZ-UHFFFAOYSA-N 467.987 4.605 50 10 JJGE COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1C 789993674 RXHDWKPRKRQEAI-IQJJTXKVSA-N 472.593 4.843 50 10 JJGE CC(C)n1nc(C(=O)NN=Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c2ccccc2c1=O 918710020 CBOQRHOBLULVSL-UHFFFAOYSA-N 485.491 4.884 50 10 JJGE CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NN=Cc2cc3ccccc3nc2Cl)cc1 1084102520 MBQHLLQOBQFDMP-UHFFFAOYSA-N 492.988 4.618 50 10 JJGE Cc1cc(C=NNC(=O)CC(=O)NCc2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 1084196101 TYCBADLUMIUWDQ-UHFFFAOYSA-N 457.361 4.558 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCC)c(OCC)c2)cc1 1084458185 UKEAETCZIXPXRY-HXUWFJFHSA-N 493.398 4.609 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1cccc(Br)c1 1865683852 JNSVSHWOSUZJSZ-INIZCTEOSA-N 475.268 4.931 50 10 JJGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)c(OC(C)C)c(OC)c1 1865697967 HCXUVVVGUZGWIG-SFHVURJKSA-N 475.387 4.632 50 10 JJGE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)ccc1F 1865702682 ZEIOGBCFMHHKST-CYBMUJFWSA-N 459.241 4.678 50 10 JJGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OC(=O)c2ccccc2)c(OC)c1 1865705543 YTGPTMBOGBURSQ-LJQANCHMSA-N 498.461 4.758 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865712500 ACLNLVZQDINCDA-DEOSSOPVSA-N 482.515 4.973 50 10 JJGE CSCC[C@H](NC(=O)CCCC(=O)c1cccs1)C(=O)Nc1ccc(SC#N)cc1 1866795463 GAEGPBKLVGUZGL-KRWDZBQOSA-N 461.634 4.551 50 10 JJGE Cc1c(Br)sc([C@@H](Br)[C@H]2CCCS2(=O)=O)c1Br 1922906571 KUXPOOGWWVUWAR-SVRRBLITSA-N 467.042 4.595 50 10 JJGE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NCCSSCCNC(=O)OC(C)(C)C 1985350755 VNJYQQDBCGQJID-SJORKVTESA-N 463.710 4.518 50 10 JJGE CC(C)c1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)cn1 2078932203 GWTOBUSRLITBFD-UHFFFAOYSA-N 474.062 4.909 50 10 JJGE CSCC[C@H](Cl)CCNC(=O)c1cc(Br)ccc1I 2090383195 WTJSZWALQLODCM-SNVBAGLBSA-N 476.605 4.534 50 10 JJGE C[C@H](NC(=O)c1c(Br)cccc1Br)[C@@H]1CCC[C@@H]1Br 2111556174 XAQPJVQRWPKVGX-GUBZILKMSA-N 454.000 4.894 50 10 JJGE C[C@@H](Cl)C[C@H]1CCCN1C(=O)c1ccc(Br)cc1I 2142281677 SUXKKNSYANLLQA-MWLCHTKSSA-N 456.549 4.676 50 10 JJGE CC1([C@H](CBr)NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1 2150535472 JXJFGRPMLAHKMW-JTQLQIEISA-N 466.022 4.598 50 10 JJGE CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2179835271 RQTRSSJNIOJBBY-OAHLLOKOSA-N 492.266 4.783 50 10 JJGE CCCOc1ccc([C@H](Br)c2nn(C)nc2Br)cc1Br 2235268097 BZQQUAQXVKYDLC-NSHDSACASA-N 467.987 4.613 50 10 JJGE Cc1ccc(I)c(C(=O)NC[C@@H]2CCC[C@@H](CBr)C2)c1 2240910297 BDRIXFZHQRANKB-CHWSQXEVSA-N 450.158 4.531 50 10 JJGE CN(C[C@H]1CCC[C@H]1Br)C(=O)c1ccc(Cl)c(I)c1 2268339931 JWECADLMOSARMN-GHMZBOCLSA-N 456.549 4.580 50 10 JJGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1ccc(Cl)c(I)c1 2283669578 PJBNNJXGRADEOC-WQURNTSKSA-N 468.560 4.721 50 10 JJGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314592798 BWLKFAJZBSMQCQ-XMMPIXPASA-N 487.581 4.729 50 10 JJGE CCCOc1ccc(C=NNC(=O)c2ccc3nc(-c4ccccc4O)[nH]c3c2)cc1OCC 2323740037 NAPQYULAZQAEOG-UHFFFAOYSA-N 458.518 4.887 50 10 JJGE N#CC(=Cc1cc(Br)cc(Br)c1O)c1cc2c(cc1[N+](=O)[O-])OCCO2 2331051452 VHWYNFBRHGAQJW-UHFFFAOYSA-N 482.084 4.661 50 10 JJGE Clc1ccc(I)cc1CN1C[C@@H]2CCC[C@]2(CBr)C1 2352410182 MJEDRENAUVDQEH-WFASDCNBSA-N 454.577 4.942 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 2365589777 ZGENOJKKZDNOPH-GARJFASQSA-N 468.560 4.580 50 10 JJGE Cn1cc(Br)c([C@H](Br)c2cc3c(cc2Br)OCCC3)n1 2369615826 MGXXGFUGURRDQP-CYBMUJFWSA-N 464.983 4.754 50 10 JJGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 12580231 FHKCYZSMKLHOOY-INIZCTEOSA-N 477.399 4.691 50 10 JJGE CC(C)Oc1ccc(C(=O)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1Br 14658961 LPQAUZWJTIRBAI-UHFFFAOYSA-N 483.362 4.890 50 10 JJGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC)c(OC)c2)c1 38659625 URGFPRDXEHZDGO-SANMLTNESA-N 486.524 4.930 50 10 JJGE C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(OCCCCCCC)cc1 100154559 RVJDFYBEFBELDH-UHFFFAOYSA-N 469.607 4.550 50 10 JJGE C=CCN1C2=C(S/C1=C(\C#N)S(=O)(=O)c1ccc(C)cc1)[C@H]1c3ccccc3OC[C@@H]1CO2 105006857 RGBXOJITBIQJFB-MDRIXERUSA-N 478.595 4.688 50 10 JJGE CCCOc1c(Br)cc(/C=N\NC(=O)Cc2ccc(Cl)cc2)cc1OCC 169901900 ONMDQFOCAYOPNS-QRVIBDJDSA-N 453.764 4.983 50 10 JJGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1 206433316 LXHCQEOZFMZNBZ-ZHZPIXNFSA-N 486.524 4.919 50 10 JJGE C[C@@H](NC(=O)/C(C#N)=C\NCCc1ccccc1Br)C12CC3CC(CC(C3)C1)C2 217059431 IHYDPTFMWACSRK-ZNGVLBHQSA-N 456.428 4.710 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)COc2ccccc2[N+](=O)[O-])cc1 254376436 XAUUJZNHLZQQOI-UHFFFAOYSA-N 499.527 4.765 50 10 JJGE COc1cccc(C=NNC(=O)c2ccccc2-n2cccc2)c1OCc1ccc(C(=O)O)cc1 254876527 PSOSAWMGIMOSHI-UHFFFAOYSA-N 469.497 4.527 50 10 JJGE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1nc(C(F)(F)F)c(C(=O)OCCl)s1 616573538 SFHISDOWZUWLAX-NSHDSACASA-N 471.929 4.597 50 10 JJGE C[C@@H](Cl)[C@@H]1CCCN(C(=O)c2cc(Br)ccc2I)C1 689043896 OKAAGBZZXPTENJ-NXEZZACHSA-N 456.549 4.533 50 10 JJGE O=C(COc1ccc(C(=O)NNc2ccc(F)c(F)c2F)cc1)Nc1cccc(C(F)(F)F)c1 728716708 BWJDRGCXZDFYLS-UHFFFAOYSA-N 483.368 4.897 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(C(=O)O)cc1 1084047923 AKKHZZPBANVABF-UHFFFAOYSA-N 490.556 4.799 50 10 JJGE CCCOc1ccc(C=NNC(=O)c2ccccc2I)c(OCCC)c1 1084655459 QCSHPZOMMCYBQL-UHFFFAOYSA-N 466.319 4.633 50 10 JJGE C=CCOc1ccc(Br)cc1NC(=O)NNC(=O)Cc1cccc2ccccc12 1310862589 OECQKFBEUZVUFA-UHFFFAOYSA-N 454.324 4.563 50 10 JJGE O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(F)(F)C(F)(F)C(F)(F)F 1615169239 COQFZQQJNCZFSP-GFXGDVFHSA-N 461.677 4.791 50 10 JJGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)cc1OC 1865697147 ODGOAEGYPFZLKB-VWLOTQADSA-N 458.562 4.954 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1865713108 QZIKPBAOMWQSTR-INIZCTEOSA-N 475.814 4.730 50 10 JJGE CC(C)(NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)Nc1ccc(SC#N)cc1 1867052342 BPSQRAWMKKOSSW-UHFFFAOYSA-N 450.589 4.849 50 10 JJGE CCN(C[C@@](C)(CI)OCCOCc1ccccc1)C(=O)OC(C)(C)C 1880585149 JAIVDNCOFIJUJP-HXUWFJFHSA-N 477.383 4.671 50 10 JJGE O=C(NC1CCC(CCl)CC1)c1ccc(Br)cc1I 2142285130 LVAZUFSCFQDKQB-UHFFFAOYSA-N 456.549 4.581 50 10 JJGE FC1(F)CN(Cc2ccc(I)c(Cl)c2)CC[C@H]1CBr 2142951246 YMONFUQCTVKMEP-JTQLQIEISA-N 464.519 4.797 50 10 JJGE O=C(N[C@H]1CCCC[C@@H]1CCCl)c1ccc(I)c(Br)c1 2146725470 MUZPYSRINALXGU-YGRLFVJLSA-N 470.576 4.971 50 10 JJGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3cc(Br)n(C)n3)c2O1 2150478608 MTMYLAJMTQSMAE-FUXBKTLASA-N 464.983 4.753 50 10 JJGE CC1(C)C[C@@H](C[C@@H](Br)c2cc(I)cc3c2OCC3)CO1 2159418605 GWMDGXNQGWLKRY-QMTHXVAHSA-N 451.142 4.867 50 10 JJGE Cc1cc(CBr)cc(S(=O)(=O)N(C)[C@H]2CC[C@@H]2OCc2ccccc2)c1C 2179854870 ZHMXDSGSIJYFAZ-PMACEKPBSA-N 452.414 4.567 50 10 JJGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N1CCC(OCc2ccccc2)CC1 2179862100 QXJVEVGMHKSUMO-UHFFFAOYSA-N 472.832 4.913 50 10 JJGE C[C@]1(CNC(=O)c2cc(I)ccc2Br)CCC[C@H]1Cl 2271304114 ZPCACEDBFGBYCU-TZMCWYRMSA-N 456.549 4.581 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)cc(Cl)c1OCc1ccccc1[N+](=O)[O-] 2294593256 PNGJYHZJNKODQM-UHFFFAOYSA-N 467.865 4.652 50 10 JJGE CC1(C)C[C@@H](CBr)CN1C(=O)Cc1cc(Br)cc(Br)c1 2295313384 JBXXGIKHZNFZEX-NSHDSACASA-N 468.027 4.776 50 10 JJGE CCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)N[C@H](C)CC)c(=O)oc3c2)cc1 2314751025 LVOPJQYGMATYCU-QGZVFWFLSA-N 474.513 4.623 50 10 JJGE CCSc1ccc(Cl)cc1CC(=O)NN=Cc1ccc(OC)c(O)c1Br 2323679884 KISSNELWJUGHBY-UHFFFAOYSA-N 457.777 4.622 50 10 JJGE Brc1cc(CN2C[C@H]3CC[C@H]2C[C@H]3Br)ccc1I 2325230597 TYPZILVQTJKUCY-GRYCIOLGSA-N 485.001 4.802 50 10 JJGE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(CC(C)(C)CI)CC2 2326671914 HTMCGQMQPIFSSE-MRXNPFEDSA-N 464.432 4.805 50 10 JJGE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C(C#N)=Cc1ccc(Cl)cc1 2329652957 NCUIZPCEZHRMJR-UHFFFAOYSA-N 455.942 4.520 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(F)c2)sc(C(=O)OCC(C)C)c1C 2329674021 YLDQGGARFREYMO-UHFFFAOYSA-N 458.511 4.731 50 10 JJGE C[C@]1(CBr)CCCN(C(=O)c2ccc(Cl)cc2I)C1 2340061759 QZZZSSJVELHSOW-CQSZACIVSA-N 456.549 4.582 50 10 JJGE CCN(C[C@](C)(CI)OCc1cnc2c(c1)CCC2)C(=O)OC(C)(C)C 2342218148 MUGZGFUWMWKDDE-FQEVSTJZSA-N 474.383 4.538 50 10 JJGE O=C(NCC(F)(F)C(F)(F)CI)c1ccc(Br)c(Cl)c1 2361686231 GHYHSVFHXIDMSW-UHFFFAOYSA-N 488.444 4.538 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1C[C@H](Br)CC2(CCC2)C1 2365592649 PAZAFWAERHCGPP-SNVBAGLBSA-N 468.560 4.724 50 10 JJGE CC1(C)CC(CBr)(CNC(=O)c2ccc(Cl)cc2I)C1 2365597713 JNWTVENYCUWIEA-UHFFFAOYSA-N 470.576 4.876 50 10 JJGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 14667047 CNCAEHZIOCUEEP-MRXNPFEDSA-N 485.378 4.866 50 10 JJGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Br)cc1 38651595 ICJOPRNXICCDED-XMMPIXPASA-N 491.341 4.960 50 10 JJGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812265 SQYBFJFBGZWZCD-XHLNEMQHSA-N 483.484 4.767 50 10 JJGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(Cl)cc4)c(C)c32)c1 40822394 BMCHJGSBONVJSK-ZXVVBBHZSA-N 451.910 4.973 50 10 JJGE Cc1ccc(C(=O)N/N=C2\C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc1 59161013 FSWYQHZATMMMIZ-QLYXXIJNSA-N 466.310 4.578 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(I)c1O 59483553 ISNHCHMGXWSZER-GHXNOFRVSA-N 468.678 4.595 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)NC2(CCl)CCCCC2)cc1Br 155822157 SXXFBMOLIOHAEA-UHFFFAOYSA-N 459.631 4.740 50 10 JJGE CCCCCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)cc1 254608015 SUPQFMFXHOKXAG-UHFFFAOYSA-N 459.546 4.923 50 10 JJGE CC(C)C(=O)[C@H](Br)Cc1ccc(Br)c(I)c1 300923077 ZLAUDSYRJGJQIW-SNVBAGLBSA-N 459.947 4.585 50 10 JJGE Nc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c(Cl)c1 382690068 LUCUNIKNIYPNBZ-WMLDXEAASA-N 470.738 4.709 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(S)cc2)C1 382715093 JNNDNGKHSQMRJU-WMZOPIPTSA-N 453.345 4.763 50 10 JJGE CC(C)(C)OC(=O)NCCN1CCNC[C@H]1c1ccccc1CCO[Si](C)(C)C(C)(C)C 616603167 FPCWFMZQCHSHNC-QFIPXVFZSA-N 463.739 4.722 50 10 JJGE O=C(NC[C@H]1CCCC[C@@H]1Br)c1scc(Br)c1Br 705408474 IFQWNLFSEHUBRU-SFYZADRCSA-N 460.029 4.957 50 10 JJGE CN(C)S(=O)(=O)c1ccc(O[Si](C)(C)C(C)(C)C)c2nc(CBr)ccc12 725413097 LDWZBKWNXSWCGD-UHFFFAOYSA-N 459.482 4.764 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCC)c(Br)c2)cc1 1084291468 AZAXFQCSNXSHGD-LJQANCHMSA-N 483.790 4.864 50 10 JJGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccnc2)CCC3)cc(C)c1Cl 1772747851 VFDUKRISQZNWQQ-UHFFFAOYSA-N 451.910 4.943 50 10 JJGE CCCc1nn(CC(C)C)c2c1[C@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688406 RFQCGRJIKVGNPC-GOSISDBHSA-N 475.387 4.577 50 10 JJGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)cc1OC 1865696701 JCEVFTNLRGRMAK-DEOSSOPVSA-N 458.562 4.899 50 10 JJGE CN(C)c1ccc([C@H](CNC(=O)/C(C#N)=C/c2cccc(Br)c2)N2CCCCC2)cc1 1866130792 MQXQJBLJFVYFQE-VOZFUJEASA-N 481.438 4.765 50 10 JJGE COc1cc(/C=C(\C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCC(=O)Nc1ccccc1 1872728436 BKAGIWOTZNXJKO-CPNJWEJPSA-N 460.486 4.935 50 10 JJGE CCNCc1cc(Br)c(OC[C@H]2C[C@@H](Br)C2)c(Br)c1 1887832381 DQMXTTBPQCEWHF-PHIMTYICSA-N 456.016 4.873 50 10 JJGE O=C(c1ccc(Cl)cc1I)N(CCBr)Cc1ccccc1 1888900707 YQHHASAMQCGWBR-UHFFFAOYSA-N 478.555 4.982 50 10 JJGE O=C(c1cc(I)ccc1Br)N1C[C@@H](CCl)C2(CCC2)C1 1914490667 BLVFOIGIHQIJBE-SNVBAGLBSA-N 468.560 4.535 50 10 JJGE O=S(=O)(c1sccc1Br)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915167881 YFBFXYRMPAOXOO-HNNXBMFYSA-N 479.259 4.875 50 10 JJGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1Br 1915749499 LINAMXYZZRNXSX-UHFFFAOYSA-N 479.209 4.953 50 10 JJGE O=S(=O)(N[C@@H](CBr)CC1CCCC1)c1cc(Cl)c(Br)s1 1926787239 SPZDYHQZJQUMFN-SECBINFHSA-N 465.660 4.786 50 10 JJGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 1955612878 IJIQZCYTCYRYJG-YPAWHYETSA-N 466.441 4.740 50 10 JJGE Clc1ncn(-c2ccc(Br)c(I)c2)c1CBr 1982516668 LKRCDRJBIFDJAD-UHFFFAOYSA-N 476.337 4.788 50 10 JJGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)Cc1ccc(O)c(Br)c1 2003583253 CCQGDWGHFLMPPP-AWEZNQCLSA-N 455.190 4.900 50 10 JJGE Brc1cc([C@H](Br)[C@@H]2CCn3ncnc3C2)sc1Br 2046632105 ZPXYHGXAOQWOIA-LHLIQPBNSA-N 456.001 4.563 50 10 JJGE C[C@H](Br)C[C@H]1CCCN1C(=O)c1cccc(Br)c1Br 2092339559 FWGYMYKAVMENSD-VHSXEESVSA-N 454.000 4.990 50 10 JJGE C[C@H]1C[C@H](Br)CCN(C(=O)c2cc(Br)ccc2Br)C1 2103285617 JTEIMVCIBQWZEG-GXSJLCMTSA-N 454.000 4.847 50 10 JJGE CC(F)(F)C[C@@H](CBr)NC(=O)c1cccc(Br)c1Br 2113232273 BHFBBUFNLUGRGW-ZETCQYMHSA-N 463.942 4.750 50 10 JJGE Cc1cc(C(=O)N[C@H](CBr)c2cccs2)ccc1I 2142144817 QXAYWCFPVMQMKY-GFCCVEGCSA-N 450.139 4.527 50 10 JJGE O=C(N[C@@H]1CCCCC[C@H]1Cl)c1ccc(Br)cc1I 2142285325 OBYSYZPLGJNCGJ-DGCLKSJQSA-N 456.549 4.724 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@]12CC[S@@](=O)(=NCC1(CBr)CCCCC1)C2 2163063925 RTPNMQVIVOTSDH-DCFHFQCYSA-N 463.482 4.973 50 10 JJGE CN([C@@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1cccc(CBr)c1 2179823328 IBIBIMNESBCRDW-UXHICEINSA-N 452.414 4.586 50 10 JJGE CCn1cc(Br)c([C@@H](Cl)c2cc(I)cc3c2OCC3)n1 2181177953 SYTHLOBZWYDVBG-LBPRGKRZSA-N 467.532 4.533 50 10 JJGE COc1cc(F)c(Br)cc1[C@H](Br)c1c(Br)c(C)nn1C 2192372871 HAHJBPUAASIRIM-LBPRGKRZSA-N 470.962 4.886 50 10 JJGE C=CCC1(CCl)CCN(c2ncc(I)cc2Br)CC1 2272076919 NQOFPZKNMCBRNC-UHFFFAOYSA-N 455.565 4.850 50 10 JJGE CCN(C(=O)Cc1cc(Br)cc(Br)c1)[C@@H]1CCC[C@H]1Br 2295313963 RGSHTKOPURYENR-ZIAGYGMSSA-N 468.027 4.919 50 10 JJGE CNC(=O)C(C#N)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1 2296834990 KDPVOQVDZBEXIZ-QGZVFWFLSA-N 466.777 4.819 50 10 JJGE COc1cc(C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314618736 SPINZOPSRXTYEZ-HXUWFJFHSA-N 492.959 4.699 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)c(OC)c1 2331386860 UZXCYONBKYKSTG-UHFFFAOYSA-N 468.447 4.902 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@@]2(CBr)CC[C@H]1C2 2336473683 PANYTHVDZILUDK-HZMBPMFUSA-N 451.984 4.601 50 10 JJGE FC(F)(F)[C@H]1[C@@H](Cl)CCCN1c1ncc(I)cc1Br 2344080024 SHJQPAFZWIMZMX-DTWKUNHWSA-N 469.470 4.587 50 10 JJGE Cc1ccc2nc(N(/N=C/c3ccc([N+](=O)[O-])o3)C(=O)c3ccc([N+](=O)[O-])s3)sc2c1 9628905 SFYMSBOLOWLTMH-DJKKODMXSA-N 457.449 4.757 50 10 JJGE CC(C)Cc1nc(N2CCCN(C(=O)CCl)CC2)c2c(-c3cccc(C(F)(F)F)c3)noc2n1 34810459 ORKKUITYHOEZJB-UHFFFAOYSA-N 495.933 4.780 50 10 JJGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(C(=O)OC)cc1 38683686 ZLMOWYUCFGBGKO-RUZDIDTESA-N 484.508 4.699 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(Cl)cc2)c(OC)c1 40990210 PODFKXYRVYPOMA-XDJHFCHBSA-N 470.953 4.936 50 10 JJGE O=C(CSCc1ccccc1Cl)N/N=C1\C(=O)N(CCOc2ccccc2)c2ccccc21 59155899 OLKXLBDTBYRPFA-COOPMVRXSA-N 479.989 4.519 50 10 JJGE Cc1ccc(-c2csc3ncn(CC(=O)NN=Cc4cccc5ccccc45)c(=O)c23)cc1 254512102 FQAGHZKZZOWRIN-UHFFFAOYSA-N 452.539 4.737 50 10 JJGE COc1ccc(-n2c(SCC(=O)NN=C/C=C/c3ccco3)nnc2-c2ccc(C)cc2)cc1 254822495 HJUDQPVKPSRLOT-LPSDHVPZSA-N 473.558 4.752 50 10 JJGE O=C(N[C@@H](CBr)C1CCCC1)c1cc(Br)sc1Br 385996750 BTHMNUSYDWGPSS-VIFPVBQESA-N 460.029 4.957 50 10 JJGE O=C(N[C@H](CBr)C1CCCC1)c1ccc(Br)cc1Br 386370365 PVBFQCYEJOZRRZ-CYBMUJFWSA-N 454.000 4.895 50 10 JJGE N#CSc1ccc(NC(=O)c2ccc(NC(=O)N3CCN(Cc4ccccc4)CC3)cc2)cc1 586662962 IFFYBKRMXJJVEW-UHFFFAOYSA-N 471.586 4.862 50 10 JJGE C[C@H](CCBr)CCNC(=O)c1ccc(I)c(Br)c1 721607752 CWVIBIHVYNGBMV-SECBINFHSA-N 488.989 4.595 50 10 JJGE COc1cccc(Cc2cnc(NC(=O)NNC(=O)[C@@H](C)Oc3ccc4ccccc4c3)s2)c1 727838791 LTWGQGTZFAQFRQ-MRXNPFEDSA-N 476.558 4.516 50 10 JJGE COCC(=O)NN=Cc1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1 1084039286 BNWGNRHHWJHWLI-UHFFFAOYSA-N 497.580 4.852 50 10 JJGE CC(=NNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 1084235627 IRGPCXNLZHUUEW-UHFFFAOYSA-N 467.566 4.685 50 10 JJGE C/C(=C\C(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1)c1ccccc1Cl 1442533724 OOYOBRFRXKPMFL-DQJRMYJUSA-N 459.977 4.518 50 10 JJGE CCOc1c(C=NNC(=O)COc2cc(C)c(Br)cc2C(C)C)cccc1OC 1772753724 FIQXFDQMMLALTO-UHFFFAOYSA-N 463.372 4.817 50 10 JJGE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696225 KVWDWWQFBUAPCE-LJQANCHMSA-N 471.742 4.580 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc(Cl)c1O 1865707085 NKJUVKKRQWWNRB-QGZVFWFLSA-N 490.869 4.844 50 10 JJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1 1865708690 CVGDBDFALZMTNF-HSZRJFAPSA-N 462.509 4.603 50 10 JJGE N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1cc2c(cc1Br)OCCO2 1866128693 GUITZJUQIPGCJR-KPKJPENVSA-N 464.113 4.528 50 10 JJGE CCC[C@H](NC(=O)Cc1nc(-c2ccc(F)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866659770 SLCWEXOVPSNTRS-FQEVSTJZSA-N 466.538 4.828 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872746097 RINWAGGQHBNOPG-NNWMPZTLSA-N 459.527 4.932 50 10 JJGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(c4ccccc4C(=O)OC)C3)n2)cc1 1872747459 DSXQKZRRAHMZTK-BJUXRVGASA-N 489.553 4.841 50 10 JJGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1CCCN(C(=O)OC(C)(C)C)CCC1(F)F 1893341705 HOWGLPFTDAQVNB-ZIAGYGMSSA-N 471.383 4.947 50 10 JJGE CN(CCOc1cccc(Br)c1)C[C@H](Br)COCc1ccccc1 1916367064 QAYUQQGXNLSAHF-SFHVURJKSA-N 457.206 4.740 50 10 JJGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cc(F)cc(Br)c1 1916383856 QQUJPNDSXWTAKY-MRXNPFEDSA-N 459.153 4.641 50 10 JJGE Cc1ccc(Br)cc1C(=O)N(C)C[C@@H](Br)COCc1ccccc1 1916385247 GFUJGGYEALLRGG-QGZVFWFLSA-N 455.190 4.810 50 10 JJGE CC1(C)C[C@@H](Br)CN(C(=O)c2cccc(Br)c2Br)C1 1923160931 JQTRXWHMBQTPEJ-SECBINFHSA-N 454.000 4.847 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H](Br)CC2(CC2)C1 1926005563 WCLBKJIQMYYBPY-SSDOTTSWSA-N 458.013 4.663 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 1992382507 VQGVWLUUMRUFRJ-INIZCTEOSA-N 463.710 4.518 50 10 JJGE O=C(Nc1ccc(I)cc1Br)[C@H](Br)C1CCCC1 2048139124 HHACJKMWMPZIFH-GFCCVEGCSA-N 486.973 4.946 50 10 JJGE CC(F)(F)C[C@H](CBr)NCc1cc(Cl)ccc1I 2050364626 MWTOHPNCCKTJMZ-SNVBAGLBSA-N 452.508 4.843 50 10 JJGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Cl 2123200006 BAQSUBFVQVIBFC-UHFFFAOYSA-N 460.821 4.851 50 10 JJGE O=C(OCc1ccccc1)N1CC2(CC=CCN2C[C@H](CBr)c2ccccc2)C1 2142787149 QBXBNSOOZKWEAO-QFIPXVFZSA-N 455.396 4.818 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NCc2ccc(CBr)cc2)C1(C)C 2182855393 PTUGHVOBYKHPEP-SOKVYYICSA-N 459.450 4.873 50 10 JJGE Brc1sc([C@@H]2COC[C@H]2Br)c(Br)c1Br 2209978479 XZHGCXLFYFRQSB-QWWZWVQMSA-N 469.818 4.913 50 10 JJGE CC1CC(CBr)(CN2CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C2)C1 2280056841 LRGODRHDTUBPRG-QRHJNKNDSA-N 457.375 4.823 50 10 JJGE C=C1CC(CBr)(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 2280093338 INVFZEWQDRSPOH-UHFFFAOYSA-N 464.006 4.518 50 10 JJGE Cc1ccc(COc2ccc(C=NNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 2296453218 UCXUUXVOAUKYMK-UHFFFAOYSA-N 455.436 4.682 50 10 JJGE N#CC(=Cc1cn(CCOc2ccccc2)c2ccc(Br)cc12)C(=O)NC[C@H]1CCCO1 2313624020 IKYXOXBBIXELBL-JOCHJYFZSA-N 494.389 4.685 50 10 JJGE O=S(=O)(N[C@@H](CCCl)COCc1ccccc1)c1ccc(Cl)c(Br)c1 2320663698 DYEGMNNCUKOMFI-AWEZNQCLSA-N 467.212 4.595 50 10 JJGE COc1ccc(-c2ccc(C(=O)NNC(=O)C=Cc3ccc(Cl)cc3Cl)c(C)n2)cc1 2321076033 SJPQHIOBXPTJNI-UHFFFAOYSA-N 456.329 4.847 50 10 JJGE Cc1ccc(CBr)c(OCc2c(Br)cnn2C)c1Br 2352569796 ZNLRZIAALQJPCO-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE CC12CC(C1)[C@H](CO[C@H](CI)c1ccc(Br)cc1)CO2 2365844752 GVYMCKKJKVUMGJ-RIALXRMPSA-N 451.142 4.757 50 10 JJGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)C(c1ccccc1)c1ccccc1 9231589 XQYQBUSQKNSAQO-UHFFFAOYSA-N 481.390 4.931 50 10 JJGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 38654764 GEXLDCWKOXEBJJ-DEOSSOPVSA-N 471.469 4.819 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)c(OC)c1 38688468 KFKJAMDQXWEBIT-DEOSSOPVSA-N 492.915 4.803 50 10 JJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3C)nc3ccccn3c2=O)cc1 39993153 BWYHOZFWHCZKHW-CAPFRKAQSA-N 494.507 4.518 50 10 JJGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812215 BNNYUHHNLTYNDV-WPWMEQJKSA-N 489.513 4.829 50 10 JJGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccccc4Cl)c(C)c32)cc1 40813865 VAVFELQNGKKDKA-ZXVVBBHZSA-N 451.910 4.973 50 10 JJGE O=C(Cn1cccc(C(F)(F)F)c1=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1 105858010 JMCIUANDAVWCIG-VFLNYLIXSA-N 467.369 4.953 50 10 JJGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(C(C)C)c(C)c2)c(OCC)c1 206290839 HSMIZTBGGXTZLF-MOSHPQCFSA-N 451.519 4.972 50 10 JJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccccc2O)cc1OC 254808507 KODZIBRKCSCDER-UHFFFAOYSA-N 470.481 4.546 50 10 JJGE CC(C)(C)[C@H](Br)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 324310711 ZEULKHSRTYZMIP-SNVBAGLBSA-N 468.038 4.844 50 10 JJGE Cn1ncc([C@H](Cl)c2cc(Br)c(Cl)s2)c1I 379208931 LWZOBVCLFQRBKO-ZETCQYMHSA-N 451.942 4.830 50 10 JJGE CC(=O)c1ccc(-c2ccc(C(=O)NNC(=O)[C@H](C)Oc3c(C)cc(Cl)cc3C)o2)cc1 1135430617 RXOXAMTZJFOSPV-INIZCTEOSA-N 454.910 4.648 50 10 JJGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743738 GUGYFFHVPXPEQS-UHFFFAOYSA-N 490.991 4.674 50 10 JJGE COc1cccc(O[C@@H](C)C(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)c1 1772755823 FXEVBKBUJOPGJL-KRWDZBQOSA-N 468.937 4.854 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1865680266 FMLFCTNSKATOBR-JOCHJYFZSA-N 470.916 4.881 50 10 JJGE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)ccc1F 1865702683 ZEIOGBCFMHHKST-ZDUSSCGKSA-N 459.241 4.678 50 10 JJGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(C(=O)O)cc1)C(C#N)=C(N)O2 1865708832 HBFGDOIVBAJHGM-HSZRJFAPSA-N 450.498 4.894 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCc2cccc(Cl)c2Cl)C1 1901219565 XUEUCIXBPVASLU-STQMWFEESA-N 472.150 4.933 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)CCc1ccc(Br)c(F)c1 1905440497 YPHAEZUXULKFAQ-LBPRGKRZSA-N 455.121 4.581 50 10 JJGE O=C(NCC[C@@H]1CCC[C@H]1Br)c1cc(Br)c(Br)s1 1913722717 ZPYRKIBKJCOVHO-JGVFFNPUSA-N 460.029 4.957 50 10 JJGE O=C(NCC1CCC(CCl)CC1)c1cc(Br)ccc1I 1922695869 ZWNCGVLSYVCLBA-UHFFFAOYSA-N 470.576 4.829 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@H](Br)C2(CCC2)C1 2108695054 NMXZGNMVWFQHCH-LBPRGKRZSA-N 451.984 4.601 50 10 JJGE C[C@H](c1cc(Br)cs1)N(C)S(=O)(=O)c1cc(CBr)cs1 2186572491 FLCCTBJMTCZGRE-MRVPVSSYSA-N 459.250 4.849 50 10 JJGE C[C@H](Br)CCCc1cn(Cc2cc(Cl)ccc2I)nn1 2189280728 WKDRJPLRWNSZDB-JTQLQIEISA-N 468.564 4.691 50 10 JJGE Cl[C@@H]1C[C@@H]2CCCC[C@H]2N(c2ncc(I)cc2Br)C1 2264953299 IWWUKUNWJGGPIA-OPQQBVKSSA-N 455.565 4.825 50 10 JJGE N#CC(C(N)=O)=C1S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1 2293039209 OUFVOXJZNMNXNY-INIZCTEOSA-N 497.201 4.667 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@H](CBr)C12CC2 2295313483 KKUUYJHARCGXET-LLVKDONJSA-N 466.011 4.530 50 10 JJGE Cc1cc(Br)ccc1C(=O)N[C@@H](CCBr)COCc1ccccc1 2303546820 KAHBAVPNQSRDLR-KRWDZBQOSA-N 455.190 4.858 50 10 JJGE CN(Cc1ccc(I)c(Br)c1)C[C@H](Br)C1CC1 2306224401 PTMWQKQDQKGHPI-LBPRGKRZSA-N 472.990 4.659 50 10 JJGE COc1ccc(CN2C(=O)C(=Cc3ccc(OCCC(C)C)c(OC)c3)C(C)=C(C#N)C2=O)cc1 2314616972 OFFCNDGWZALWHS-UHFFFAOYSA-N 474.557 4.921 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(C)cc1 2314738629 SIXHNTKTPJIRSH-UHFFFAOYSA-N 474.513 4.585 50 10 JJGE CN(Cc1ccc(Cl)cc1I)[C@H](CCBr)C(F)F 2318541090 SCKYHKVDVTZIFL-LLVKDONJSA-N 452.508 4.795 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1[C@H]2CC[C@@H]1[C@H](CBr)C2 2360165946 AYWQCWGUOSDDMJ-LEWSCRJBSA-N 466.011 4.529 50 10 JJGE C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 14665822 OVDAKMDJILXYNK-AWEZNQCLSA-N 480.392 4.625 50 10 JJGE Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cn(CC(=O)NCc3ccco3)c3ccccc23)c1 33344876 IUXJEXGEWOOMJH-MOSHPQCFSA-N 452.514 4.713 50 10 JJGE CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCOCC2)cc1 33712401 IDTGWVHPZFEEKX-NKFKGCMQSA-N 470.573 4.730 50 10 JJGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)o1 38659334 HFQOZBRQNBKWMV-QHCPKHFHSA-N 450.878 4.752 50 10 JJGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1 38687147 PBTFMHMZEFMTCW-FTJBHMTQSA-N 482.536 4.948 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCC)c(OCC)c2)cc1 58894955 UKEAETCZIXPXRY-UQEONJGVSA-N 493.398 4.609 50 10 JJGE COc1cccc(CN(C(=O)CCl)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)c1 97914628 ICQPHUUCTLDXDB-RUZDIDTESA-N 472.029 4.519 50 10 JJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3cc(Cl)ccc3Cl)C2=O)cc1 101232868 TZSYJEROZVYUTF-CPNJWEJPSA-N 456.329 4.749 50 10 JJGE N#C/C(=C/c1c(Oc2ccccc2F)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1 102846283 WCCFSIRPISUOKB-LGMDPLHJSA-N 481.892 4.618 50 10 JJGE COc1cc(/C=C2\C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214320497 KWSKUCUYPFVOJP-QRVIBDJDSA-N 468.509 4.968 50 10 JJGE CCOc1cc(/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCC(C)C 214397134 RZOZJEMKMHEKNP-QRVIBDJDSA-N 474.557 4.921 50 10 JJGE COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)c1C 214456042 RNPQVBIQHSVTLM-OEBVFIGYSA-N 459.594 4.680 50 10 JJGE CC(C)S(=O)(=O)CCC(CBr)(CBr)c1ccccc1Br 232696985 DAYHBYXJCFZBJR-UHFFFAOYSA-N 491.083 4.690 50 10 JJGE COC(=O)c1ccc(C(=O)N(N=Cc2ccc(OC)cc2)c2nc3ccc(F)cc3s2)cc1 254303918 NOLBWCYWDHZVLG-UHFFFAOYSA-N 463.490 4.912 50 10 JJGE CCN(CC)c1ccc(C=NNC(=O)CNc2cc(Br)c(C)c(Br)c2)cc1 254792062 RPFZDNFSJKNNOE-UHFFFAOYSA-N 496.247 4.928 50 10 JJGE COc1cc(C=NNC(=O)c2cccnc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 254818431 IMRHWJRIMVICTA-UHFFFAOYSA-N 460.368 4.573 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](c2cc(F)ccc2Br)[C@@H](CI)C1 382698318 YREGCCPHXXCCBD-GWCFXTLKSA-N 484.147 4.974 50 10 JJGE CC1(C)CC[C@@H](CBr)N(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 701596207 ORTHZCBIHONIPE-QMMMGPOBSA-N 465.660 4.738 50 10 JJGE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1c(Cl)cccc1Cl 727860819 PDTJKDKDUMNSNV-INIZCTEOSA-N 491.202 4.906 50 10 JJGE CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNC(=O)c2cc(C)oc2C)cs1 920361111 YBUQUPUNXUKURE-UHFFFAOYSA-N 450.442 4.820 50 10 JJGE C=CCOc1c(Cl)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1Br 1084011828 JIKDIDMRWJBGBL-GOSISDBHSA-N 451.748 4.631 50 10 JJGE C#Cc1cccc(N(CC)C(=O)CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1 1542919572 QTQWCKNQJFGHNC-UHFFFAOYSA-N 455.674 4.988 50 10 JJGE CCCc1nn(C)c2c1[C@@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865703042 LKNIGMWJXNNJBB-DEOSSOPVSA-N 458.562 4.877 50 10 JJGE CC[C@@](C)(NC(=O)c1cc(-c2ccc(C)c(C)c2)n(C)n1)C(=O)Nc1ccc(SC#N)cc1 1866829031 AXFSIIPICXOCSN-RUZDIDTESA-N 461.591 4.814 50 10 JJGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4ccccc4C3=O)n2)cc1Cl 1872756061 BUOALRPKNULDCD-MNDPQUGUSA-N 495.944 4.960 50 10 JJGE C[C@@H](Br)[C@H]1CCCN(C(=O)c2csc(Br)c2Br)C1 2032956358 PYXKHKUWIYGEBY-SFYZADRCSA-N 460.029 4.909 50 10 JJGE C[C@@H]1CC[C@H](CBr)N(C(=O)c2ccc(I)c(Cl)c2)C1 2110615196 DLIXWAMUZPOZHZ-MWLCHTKSSA-N 456.549 4.580 50 10 JJGE Cc1cc(Br)c(F)c(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c1 2125301780 KHMKCUKZRGADAT-UHFFFAOYSA-N 467.426 4.533 50 10 JJGE ClCCc1nc2cncc(Br)c2n1CCCOCCOCc1ccccc1 2151789305 HDUUBOINEPSLRW-UHFFFAOYSA-N 452.780 4.599 50 10 JJGE BrCC(CBr)(C[C@@H]1COCCCO1)c1ccccc1Br 2154008054 BSUISBNHYQLSMB-GFCCVEGCSA-N 471.027 4.672 50 10 JJGE CC[C@H](Br)CN(C1CC1)S(=O)(=O)c1cc(Br)ccc1Br 2163669832 PUHCXAAXHCGMNZ-VIFPVBQESA-N 490.055 4.538 50 10 JJGE O=C(c1cc(Br)ccc1I)N(CCCl)Cc1cccs1 2171087887 YQXFWQZQSKXNPE-UHFFFAOYSA-N 484.584 4.996 50 10 JJGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2185112180 ZWZQISSAGZHEHU-XVKPBYJWSA-N 465.660 4.737 50 10 JJGE COc1ccc([C@H](Br)c2c(Br)c(C)nn2C)cc1I 2269539367 DSOWIOGTWZTPIZ-LBPRGKRZSA-N 499.972 4.589 50 10 JJGE C[C@@]1(CBr)CCCN1C(=O)Cc1cc(Br)cc(Br)c1 2277915685 DTCDIJIGNUCJON-AWEZNQCLSA-N 454.000 4.530 50 10 JJGE C[C@H]1CC[C@H](CBr)N(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295309055 DVZPHBUBUSXTCF-IINYFYTJSA-N 468.027 4.776 50 10 JJGE CC1(C)C[C@H](Br)CN1Cc1ccc(I)c(Br)c1 2306223970 LMBOYMBOJKXJCV-JTQLQIEISA-N 472.990 4.802 50 10 JJGE CO[C@@H](CO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 2336211947 KGVFGVQPKFOTHS-FXAWDEMLSA-N 475.367 4.595 50 10 JJGE FC(F)(F)[C@@H]1[C@@H](Cl)CCCN1c1ncc(I)cc1Br 2344080025 SHJQPAFZWIMZMX-IUCAKERBSA-N 469.470 4.587 50 10 JJGE CC1(C)CC(CBr)(CN=[S@@](C)(=O)C2CC(CNC(=O)OC(C)(C)C)C2)C1 2345008081 KHKDMYPLXACIHB-PEOFPKNDSA-N 451.471 4.589 50 10 JJGE Cc1ccc(C(=O)NCC(C)(C)[C@H](Br)C(C)C)cc1I 2365868969 TYNDGAQULRNWTM-CQSZACIVSA-N 452.174 4.775 50 10 JJGE CC(C)[C@H](Br)C(C)(C)CN(C)C(=O)c1ccc(I)cc1 2365992449 WGJXMQVNDASYLG-AWEZNQCLSA-N 452.174 4.809 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(C)(C)C)CN(C[C@@]2(CBr)CC2(F)F)C1 2379988204 VNUFSAZODMOPJM-KHYOSLBOSA-N 453.412 4.916 50 10 JJGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)cc1 38602916 FKGODIAROUFVQS-HYARGMPZSA-N 454.555 4.873 50 10 JJGE Cc1c(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 58888736 QTCXRUPUJUBOIL-UPKGHWAZSA-N 470.529 4.870 50 10 JJGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 214322058 AKVQRXSSYPWHBG-IAGVPYNFSA-N 492.579 4.927 50 10 JJGE CC(=NNC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1)c1ccc(F)cc1 252586767 SJEGDFRVNGVBDG-UHFFFAOYSA-N 454.299 4.995 50 10 JJGE COc1ccc(C=NNC(=O)c2cc3c(ccc4ccccc43)o2)cc1I 252616654 KCWYBZLLXSUQOF-UHFFFAOYSA-N 470.266 4.963 50 10 JJGE CCC[C@H](C)c1ccc(OCC(=O)NN=Cc2cccc(I)c2)cc1 254697330 QWSPKLVEHYWIPX-HNNXBMFYSA-N 450.320 4.724 50 10 JJGE COCCOCCCOc1c(Br)cc(Br)cc1CBr 389215906 VDVPZFHXCOLOTM-UHFFFAOYSA-N 460.988 4.538 50 10 JJGE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1nc(C(F)(F)F)c(C(=O)OCCl)s1 616573527 SFHISDOWZUWLAX-LLVKDONJSA-N 471.929 4.597 50 10 JJGE O=C(Cc1ccc([N+](=O)[O-])cc1)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1 1081098304 YMOCHVGHRCMJAL-UHFFFAOYSA-N 468.307 4.629 50 10 JJGE CCOc1cc(C=NNC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccccc1F 1084435880 GIADRAKUIUDXLW-UHFFFAOYSA-N 452.482 4.585 50 10 JJGE C#Cc1cccc(NC(=S)NNC(=O)C2(c3ccc(Br)cc3)CCCCC2)c1 1637294897 DSUXCWZLMVHUSH-UHFFFAOYSA-N 456.409 4.650 50 10 JJGE CCOc1ccccc1NC(=O)[C@H](C)Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F 1858687993 SRAGLLXHZJDFOO-AWEZNQCLSA-N 484.440 4.545 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)ccc1OCCc1ccccc1 1865688748 ZWQWGHVLRJGQKT-RUZDIDTESA-N 458.562 4.696 50 10 JJGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1 1865691131 KBOXYWSHBZEHBV-LJQANCHMSA-N 452.436 4.733 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865691958 GFWLCGMTPHMKAK-JOCHJYFZSA-N 482.943 4.912 50 10 JJGE C[C@H](NC(=O)c1scc(Br)c1Br)c1nnc(CBr)s1 1877573374 KFMCCHSWRCEGFU-BYPYZUCNSA-N 490.040 4.511 50 10 JJGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@@H]1C[C@@H]1Br 1888778865 MAXMEEJZJFXJSF-RXYZOABWSA-N 471.395 4.546 50 10 JJGE CC1(NC(=O)c2cc(I)ccc2Br)CCC(Cl)CC1 1924695893 WJNSKPNVTPXMPO-UHFFFAOYSA-N 456.549 4.724 50 10 JJGE Cc1oc(CBr)cc1S(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 1984643759 CNSGNHNBPDXJEC-UHFFFAOYSA-N 491.451 4.806 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 1988796969 KQIVTZTZAMGKDF-DOIPELPJSA-N 452.686 4.866 50 10 JJGE CC1(C)[C@@H](Br)CC[C@@H]1NC(=O)c1cc(Br)sc1Br 2086023658 GLUYYAUMGVWIOY-YUMQZZPRSA-N 460.029 4.955 50 10 JJGE CCCN1CC[C@@H]([C@@H](Br)c2csc(Br)c2Br)S1(=O)=O 2093944091 DMVRYECETPWGTI-IUCAKERBSA-N 496.084 4.523 50 10 JJGE Cc1nsc(CC(CBr)(CBr)c2cccc(Br)c2)n1 2102675613 XAWMMNNMGQIRPK-UHFFFAOYSA-N 469.040 4.879 50 10 JJGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)n(C)c1 2123237463 PKWCWGKWISTNSC-OAHLLOKOSA-N 453.427 4.934 50 10 JJGE CC1(C)C[C@@H](CBr)CN1C(=O)c1c(Br)cccc1Br 2127836055 RZBZUQQXLZGUMD-VIFPVBQESA-N 454.000 4.847 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@H](Br)[C@@H]2CC[C@H]21 2133721510 CQIDXUSLSWJZCJ-XHVZSJERSA-N 451.984 4.600 50 10 JJGE O=C(N[C@H]1CCCC[C@H]1CCBr)c1cccc(F)c1I 2146722745 DKQYEDQDBNZFBP-GWCFXTLKSA-N 454.121 4.504 50 10 JJGE CCn1ncc(Br)c1[C@H](Br)c1cc(Br)cc2c1OCC2 2150669352 VUOWJIKOVXVVSD-GFCCVEGCSA-N 464.983 4.847 50 10 JJGE BrCC(CBr)(C[C@@H]1COCCCO1)c1ccc(Br)cc1 2154015354 WSFJOXRYQKAVRX-CQSZACIVSA-N 471.027 4.672 50 10 JJGE O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2179835220 QXWVMKABYVROHJ-CABCVRRESA-N 490.250 4.536 50 10 JJGE CC[C@@H](Br)[C@@H]1CCCCN1C(=O)c1ccc(I)c(C)c1 2207108777 QFAZVDWNYNWOTB-HIFRSBDPSA-N 450.158 4.768 50 10 JJGE O=C(NC[C@H]1CC[C@H](CCl)CC1)c1ccc(Br)cc1I 2207266276 CCVRCEBYOXCRBI-XYPYZODXSA-N 470.576 4.829 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1CN(CCCCCI)CC[C@H]1C(F)(F)F 2220216783 NCDGMRDAQLESJJ-UONOGXRCSA-N 478.337 4.617 50 10 JJGE O=C(NCC1(CBr)CC(F)(F)C1)c1ccc(Br)cc1Br 2281656856 QTIZENGUPGWJOA-UHFFFAOYSA-N 475.953 4.752 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCCc2ccccc2)c(Br)cc1OC(C)C 2295672409 VKGUMZSWIQCDNG-UHFFFAOYSA-N 457.368 4.901 50 10 JJGE FC[C@]12C[C@]([C@H](Br)c3sc(Cl)cc3I)(CO1)C2 2300949608 OBTXSCOANPCRJQ-GMTAPVOTSA-N 451.526 4.961 50 10 JJGE CO[C@@H]1C[C@@H](Br)C[C@@H]1Cc1ccc(I)c(Br)c1 2306211514 RRVCVXYCBMMVNV-OUJBWJOFSA-N 473.974 4.785 50 10 JJGE BrCC1(COc2cc(Br)cc(I)c2)CCOCC1 2316720068 LKQHIIBHQOPJTQ-UHFFFAOYSA-N 489.973 4.624 50 10 JJGE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1CCCN(C[C@]2(CBr)CC2(F)F)C1 2379984798 DFTUDVPWLABUHN-FRQCXROJSA-N 451.396 4.908 50 10 JJGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 9231632 BYMQKVBRPMBNSO-UHFFFAOYSA-N 497.389 4.845 50 10 JJGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)cc1C 10153219 ZHWKDWDKHYTDQH-KRWDZBQOSA-N 477.399 4.719 50 10 JJGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C 14661678 RWOCTCJBDVEUDR-UHFFFAOYSA-N 461.002 4.849 50 10 JJGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)CC)cc2)ccc1OC(=O)c1cccc(C)c1 17299653 YGWIJSIYRFEBCV-UHFFFAOYSA-N 473.529 4.725 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@@H]1c1cccs1 38656192 PNYGNLXSMFJPRJ-IBGZPJMESA-N 453.317 4.948 50 10 JJGE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1 39858815 ZUJJEAYSLBKAMX-PEZBUJJGSA-N 472.888 4.694 50 10 JJGE CC(CBr)(CBr)NC(=O)c1cc(C(F)(F)F)ccc1Br 126440130 BDFUALWNWCSNQK-UHFFFAOYSA-N 481.932 4.746 50 10 JJGE O=C(N/N=C/c1ccc(OCCCc2ccccc2)cc1)c1cc(-c2cccs2)nc(O)n1 169923586 BLFGYOQUANMEBY-YZSQISJMSA-N 458.543 4.686 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1OC 205649394 HZWMCFDIKOJWGA-LTNIWJGWSA-N 498.535 4.939 50 10 JJGE CCO[C@H]1[C@@H](Oc2c(I)cc(Cl)c3cccnc23)C[C@H]1Br 229349442 NJVGTZKDLUBELG-LJWDBELGSA-N 482.543 4.813 50 10 JJGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1cc(OC)c(OC)cc1OC 254448578 LHAZFYBVYRJNDW-UHFFFAOYSA-N 477.646 4.980 50 10 JJGE COc1cccc(C=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1OC 254771623 MSWRHONEJMDZKN-UHFFFAOYSA-N 471.601 4.922 50 10 JJGE CCn1c2ccccc2c2cc(NC(=O)CC(C)=NNC(=O)C(=O)Nc3ccccc3C)ccc21 254866670 OXGUMTNBBIWBRS-UHFFFAOYSA-N 469.545 4.582 50 10 JJGE Cc1sc([C@@H](Br)c2cnn(C)c2I)cc1Br 379149020 DUMDJSIYNPBQGN-VIFPVBQESA-N 475.975 4.641 50 10 JJGE BrC[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1cccc(I)c1 382702499 PRTLSDRCPDMCLE-SJLPKXTDSA-N 456.165 4.902 50 10 JJGE ClCCc1nc2cc(I)ccc2n1-c1cnn(Cc2ccccc2)c1 389693316 AUGDCTNJKVSQPQ-UHFFFAOYSA-N 462.722 4.656 50 10 JJGE O=C(CBr)c1c(I)cc(Br)cc1C(F)F 575687993 XZALNODRYVPIQC-UHFFFAOYSA-N 453.846 4.569 50 10 JJGE CC1(C)C[C@H](Cl)C[C@H](NC(=O)c2cc(I)ccc2Br)C1 693872449 AUKXOIZNKMAOBI-KOLCDFICSA-N 470.576 4.970 50 10 JJGE C[C@H]1CCCN(C(=O)c2cc(Cl)ccc2I)[C@@H]1CCBr 700331559 WZSMHRMBOPTUPB-IINYFYTJSA-N 470.576 4.970 50 10 JJGE COc1ncnc2c1nc([C@@H](C)Cl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705603200 ILPRQVAFWSMLEX-LJQANCHMSA-N 477.996 4.606 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2ncccn2)c(C)n1-c1cc(Cl)ccc1Cl 821774039 DVIGBYPQMMJNIY-DISPHTKASA-N 484.343 4.668 50 10 JJGE Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)CN(Cc1ccccc1)Cc1ccccc1 1084624468 ILPBRIJNSNTFMP-UHFFFAOYSA-N 451.574 4.642 50 10 JJGE C#CCN1CCC[C@@H](NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C1 1634554955 MXFKEZQYSBRSAM-QRRJMBGHSA-N 455.389 4.522 50 10 JJGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865694377 XFXVPODDIWDIQL-JOCHJYFZSA-N 462.525 4.648 50 10 JJGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 1865705558 ZAGQAZQYQVDJJL-RUZDIDTESA-N 478.508 4.627 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc(Cl)c1O 1865707259 RZBBVDRHCIPIKM-MRXNPFEDSA-N 494.832 4.675 50 10 JJGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2cc(C3CC3)[nH]n2)cc1 1867148393 QJDWKDCYHOCUMA-JOCHJYFZSA-N 477.615 4.531 50 10 JJGE O=S1(=O)CCC[C@@H]([C@H](Br)c2sc(Br)cc2Br)C1 1922887100 UXUPQLPXLYKZTD-MUWHJKNJSA-N 467.042 4.534 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2CC[C@@]1(CBr)C2 2089726839 AGJIOCCMFBUCTC-XPTSAGLGSA-N 451.984 4.601 50 10 JJGE BrCCO[C@@H]1CCCN(Cc2cc(Br)ccc2Br)C1 2118519162 GYRAKTSAPRKHPS-CYBMUJFWSA-N 456.016 4.588 50 10 JJGE O=C(N[C@H](CCl)c1cccs1)c1ccc(Br)cc1I 2142290447 BQWDXZUYODAPDK-LLVKDONJSA-N 470.557 4.825 50 10 JJGE CC1(C)C[C@@](C)(CCl)CN1C(=O)c1cc(I)ccc1Br 2199537506 CFWPSBSKLDFIRA-HNNXBMFYSA-N 470.576 4.923 50 10 JJGE CC1(C)C[C@H](Cl)C[C@H](NC(=O)c2ccc(Br)cc2I)C1 2207270673 CVGMPFRQEXRMSF-MNOVXSKESA-N 470.576 4.970 50 10 JJGE Cc1ccc(I)c(C(=O)N(C)[C@H]2CCCCC[C@@H]2Br)c1 2240925433 YGHXQQDCNGWHRM-ZFWWWQNUSA-N 450.158 4.768 50 10 JJGE CCN(C(=O)c1ccc(Cl)c(I)c1)[C@@H]1CCC[C@@H]1Br 2268342463 GHVLHTRQYDNRIZ-GXFFZTMASA-N 456.549 4.723 50 10 JJGE C=CC[C@]1(CCl)CCCCN1c1ncc(I)cc1Br 2272083382 AKUQVHVXEKWOAD-CQSZACIVSA-N 455.565 4.993 50 10 JJGE C[C@H](Br)C[C@@H](C)CNC(=O)Cc1cc(Br)cc(Br)c1 2277935998 JXXSQSRXFVUGCJ-ZJUUUORDSA-N 456.016 4.680 50 10 JJGE O=C(NCC[C@H]1CCCC[C@H]1Br)c1c(F)cccc1I 2282787378 PPAXUKGJNBPAAW-GHMZBOCLSA-N 454.121 4.504 50 10 JJGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 2294171852 DBAZPTIUGAZXNN-UHFFFAOYSA-N 457.486 4.599 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1CC[C@@H](CBr)CC1 2295311099 GGHWADMPLKSOPS-WJONMLJTSA-N 468.027 4.824 50 10 JJGE C[C@@H]1CC[C@@H](Br)CN1Cc1ccc(I)c(Br)c1 2306218474 AICYRNRBHFIAIB-MWLCHTKSSA-N 472.990 4.802 50 10 JJGE CCC[C@@H](CCBr)CNC(=O)c1ccc(Cl)cc1I 2340053536 BQJMNDYJXOKAGM-JTQLQIEISA-N 458.565 4.876 50 10 JJGE C[C@@H]1CC[C@@H](CBr)CN1C(=O)c1ccc(Cl)cc1I 2340060623 FCMTYCBQFZHMKM-ZJUUUORDSA-N 456.549 4.580 50 10 JJGE Cl[C@@H]1CC[C@@H]2CN(Cc3ccc(I)c(Br)c3)C[C@@H]2C1 2349826159 DNFGQUGGRICFFO-FRRDWIJNSA-N 454.577 4.893 50 10 JJGE FC1(F)[C@@H]2CC[C@@H]([C@H](Br)c3cc(I)cc4c3OCC4)[C@@H]21 2354351811 ONLFPLBEHFCXRU-XEZLXBQYSA-N 455.080 4.953 50 10 JJGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OC)cc1Cl 38687289 OYPOBHNTZINVLG-QHCPKHFHSA-N 462.889 4.795 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N(CCBr)Cc1ccccc1 232347925 ITIRBYOMQLSUGG-UHFFFAOYSA-N 478.555 4.982 50 10 JJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(F)cc3)cc2)cc1 254483334 FCUDXDZXPVVLQE-UHFFFAOYSA-N 464.493 4.753 50 10 JJGE COc1ccc(Br)cc1C=NNC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 254832790 NWUXAQZDESOKKL-UHFFFAOYSA-N 467.367 4.812 50 10 JJGE aggregator CC[C@@H]1[C@@H](CBr)CCN1C(=O)c1cc(Cl)ccc1I 386213775 DRBNHSDKIGZCGG-NOZJJQNGSA-N 456.549 4.580 50 10 JJGE C[C@H](CNC(=O)c1cc(Br)ccc1I)C[C@@H](C)Br 397820043 GWJYFWOBXJDDFQ-DTWKUNHWSA-N 488.989 4.593 50 10 JJGE C=CCOc1cccc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1 1084135628 COFVKLSLBITETP-UHFFFAOYSA-N 498.004 4.635 50 10 JJGE O=C(NN=Cc1ccc(Br)cc1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 1084349051 XCVLHYKDIQNPKC-UHFFFAOYSA-N 491.433 4.531 50 10 JJGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCC#N 1084391348 DKMZSZBXZWEQOE-UHFFFAOYSA-N 476.714 4.914 50 10 JJGE COc1ccc(N(C)C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1OC 1115900883 BSGDDBHYIUOHSS-QGOAFFKASA-N 475.936 4.704 50 10 JJGE C#CCCCCC(=O)NNc1c(Br)cc(Br)cc1Br 1530660028 ZDDKFXUZKCFVLN-UHFFFAOYSA-N 452.972 4.611 50 10 JJGE C=CCc1ccc(OCC(=O)NNC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c(OC)c1 1556339668 LOVKPOTXLCJPPN-UHFFFAOYSA-N 458.729 4.616 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](CBr)C1 1614617377 VLTFCFRQVWHTLY-YOEHRIQHSA-N 453.720 4.995 50 10 JJGE Cc1c(C(=O)Nc2cccnc2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749156 IFJOLRFSWJSINZ-UHFFFAOYSA-N 487.343 4.778 50 10 JJGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772750880 BAENLYJRGMVXAD-UHFFFAOYSA-N 496.523 4.646 50 10 JJGE COc1cc(C=NNC(=O)CSc2nc3ccccc3o2)ccc1OC(=O)c1ccc(Cl)cc1 1772760342 DSPGABSZKOPIHD-UHFFFAOYSA-N 495.944 4.951 50 10 JJGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(OCC)c1)C(C#N)=C(N)O2 1865681204 HNDMOZOWCDXKMW-DEOSSOPVSA-N 458.562 4.823 50 10 JJGE CCc1nn(-c2ccccn2)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865706260 RMYAMAMUDOKGGE-RUZDIDTESA-N 493.567 4.944 50 10 JJGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccc[nH]2)C(C#N)=C(N)O3)cc1 1865709984 LVLRNDWIVVWQCG-NRFANRHFSA-N 475.911 4.946 50 10 JJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)sc(C(=O)OCC(C)C)c1C 1866126638 DNNKXUADZWGFKG-GZTJUZNOSA-N 470.547 4.600 50 10 JJGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1C[C@H]2CC[C@H]1C[C@@]2(C)NC(=O)OC(C)(C)C 1893709064 IGTQAMFGTIZDTC-YZLPMWMCSA-N 461.441 4.994 50 10 JJGE COc1ccc(CN(C)C[C@H](Br)COCc2ccccc2)cc1Br 1916366683 LWKNDKLCSKYKQS-KRWDZBQOSA-N 457.206 4.870 50 10 JJGE Cc1cc(Br)c(C(=O)N[C@H]2C[C@@H](Br)C2)cc1NC(=O)OC(C)(C)C 2011824760 RWDPMQXDEDFSBK-PHIMTYICSA-N 462.182 4.760 50 10 JJGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1cc(Br)c(Br)s1 2042544868 IBOFUKNHDPDJFB-XKBZYTNZSA-N 458.013 4.565 50 10 JJGE BrC[C@@H]1C[C@@H]2CCC[C@H]2N1c1ncc(I)cc1Br 2069537026 CCCFGRSNRIIWSL-PTOFAABTSA-N 485.989 4.591 50 10 JJGE FC(F)(F)c1cccc(-n2nc(CCl)c(I)c2C(F)(F)F)n1 2078880629 DVTNVNLUXSHMFM-UHFFFAOYSA-N 455.527 4.648 50 10 JJGE COC1(CBr)CCN(Cc2c(Br)cccc2Br)CC1 2094088537 MKQKQLZPUYCEPA-UHFFFAOYSA-N 456.016 4.588 50 10 JJGE C[C@H](Br)C[C@H]1CCCCN1C(=O)c1cc(I)ccc1F 2169664022 PXAIISQCMSJCHA-CMPLNLGQSA-N 454.121 4.599 50 10 JJGE CC1(C)C[C@@H](Br)CCN(C(=O)c2ccc(Cl)c(I)c2)C1 2283665039 SQFYCFBCPVHCMK-NSHDSACASA-N 470.576 4.970 50 10 JJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)NCc1cccnc1 2296728772 PGGOZPUSSJWAAC-UHFFFAOYSA-N 484.357 4.920 50 10 JJGE C[C@@]1(CCBr)CCN1Cc1ccc(I)c(Br)c1 2306227958 NTIBWBUGNLQKFN-CYBMUJFWSA-N 472.990 4.803 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)cc1 2314754883 GMSOYEFNNGXXTR-UHFFFAOYSA-N 458.514 4.785 50 10 JJGE CN(Cc1c(Br)cccc1Br)C1=NC[C@@H](CBr)S1 2318205369 HGOUBDFYVTXUPQ-MRVPVSSYSA-N 457.029 4.510 50 10 JJGE Cc1cc(F)c(Br)cc1C(=O)N[C@@H](CCBr)COCc1ccccc1 2320361520 OOKGXVPLTNISQC-HNNXBMFYSA-N 473.180 4.997 50 10 JJGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OCc4ccc(F)cc4)cc3)nc2c1 2331046320 CVCIQVBYQQDPKX-UHFFFAOYSA-N 455.445 4.904 50 10 JJGE O=C(NNC(=O)c1ccc(OCCc2ccccc2)cc1)c1ccc(NC(=O)C2CCCCC2)cc1 14041604 LNVBOMAKCKMMEG-UHFFFAOYSA-N 485.584 4.902 50 10 JJGE N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 35519848 LMMSMGXRQJNORJ-SFQUDFHCSA-N 476.876 4.811 50 10 JJGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)cc(OC)c1OC 38651018 PDYNWPCWJTYMAR-QHCPKHFHSA-N 492.915 4.803 50 10 JJGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OC)cc1Cl 38687287 OYPOBHNTZINVLG-HSZRJFAPSA-N 462.889 4.795 50 10 JJGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)cc1 40825902 NHBHTDQQERLATQ-NJZRLIGZSA-N 496.523 4.646 50 10 JJGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 102973891 JXNAROPEQRYAJU-SCIJIFGBSA-N 488.500 4.799 50 10 JJGE C=CCN1C2=C(S/C1=C(\C#N)S(=O)(=O)c1ccc(C)cc1)[C@H]1c3ccccc3OC[C@H]1CO2 105173658 RGBXOJITBIQJFB-FYPPZUASSA-N 478.595 4.688 50 10 JJGE CC[C@@H](Br)CCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 135167562 XSPTWQDZWQLVIJ-SSDOTTSWSA-N 454.011 4.598 50 10 JJGE CCOc1cc(/C=N\NC(=O)c2sc(N)nc2CC)ccc1OCc1cccc(Cl)c1 169892171 ANQZCXKNXCOFQE-ROTLSHHCSA-N 458.971 4.683 50 10 JJGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCCC(C)C 256028613 YCSZLPHZYVDEPO-UHFFFAOYSA-N 470.620 4.881 50 10 JJGE CC(=NNC(=O)CCCNc1ccc(Br)cc1)c1ccc(Br)cc1 1084016772 CARWZJJABMMHTI-UHFFFAOYSA-N 453.178 4.944 50 10 JJGE CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)NN=Cc1ccc(O)c(OC)c1 1084022099 JEJPPIQRBWXKQM-SFHVURJKSA-N 457.324 4.624 50 10 JJGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Br)cc1 1084279213 PHMWBJYAJWYOQG-OQLLNIDSSA-N 464.157 4.786 50 10 JJGE C=CCn1c(SCC(=O)NNc2cccc(F)c2)nnc1-c1ccc(Cl)cc1Cl 1137673082 NVPRZWOBQNLPNE-UHFFFAOYSA-N 452.342 4.812 50 10 JJGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc1OC 1865696561 HOJDLGVQOGYTAX-SFHVURJKSA-N 464.488 4.964 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1ccccn1 1865700491 VLQMMCGDYNZPFY-HXUWFJFHSA-N 470.330 4.915 50 10 JJGE Cc1c(Br)sc([C@@H](Br)[C@H]2CCCCS2(=O)=O)c1Br 1922898818 YGCRUSZRVSOKLW-APPZFPTMSA-N 481.069 4.985 50 10 JJGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1csc(Br)c1Br 2042544296 CHCBOYJMVMGORS-OVLTXKMTSA-N 458.013 4.565 50 10 JJGE C[C@@H]1CCCN(C(=O)c2c(Br)cccc2Br)[C@H]1CBr 2094096489 YFPZIOYVNLGBMH-SKDRFNHKSA-N 454.000 4.847 50 10 JJGE CC(C)(CBr)c1cn(Cc2ccc(Br)cc2Br)nn1 2108761657 NBXKSHHZMKFRJQ-UHFFFAOYSA-N 451.988 4.524 50 10 JJGE O=S(=O)(NCC[C@H](Br)C1CC1)c1c(Cl)cc(Br)cc1Cl 2146610931 VIWZHZSXVXCTEI-VIFPVBQESA-N 466.022 4.598 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N(CCBr)CC(C)C)cc1Br 2154252840 UTDFQHRMNKFNPB-UHFFFAOYSA-N 492.071 4.562 50 10 JJGE Brc1ccc(Br)c(CN2C[C@@H](Br)C[C@]3(CCCO3)C2)c1 2175149055 FRHCJHLOWQLRNC-DZGCQCFKSA-N 468.027 4.730 50 10 JJGE COc1cc(-n2cc(CC[C@H](C)Br)nn2)c(Br)cc1Br 2189285016 PTICQDVFBRSUEN-QMMMGPOBSA-N 467.987 4.517 50 10 JJGE C[C@@H](CCBr)CCN1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2211434971 JHANYTBZHTWMMG-SFHVURJKSA-N 492.499 4.587 50 10 JJGE C[C@@H]1C[C@@H](Cl)[C@@H](C)N(C(=O)c2cc(I)ccc2Br)C1 2227614323 BDSJTCIPNLIEIH-JRKPZEMJSA-N 456.549 4.532 50 10 JJGE CC(C)(C)OC(=O)N1CC[C@]2(CC[C@](C)(CI)O2)C[C@H]1C(F)(F)F 2252606063 LMFGSJCAOVPDPB-NILFDRSVSA-N 463.278 4.691 50 10 JJGE Cc1ccc(I)c(C(=O)N(CCBr)CCC(C)(C)C)c1 2289896547 JDOYPOIUYFNIOZ-UHFFFAOYSA-N 452.174 4.873 50 10 JJGE C[C@@H]1CCN(Cc2ccc(I)c(Br)c2)C[C@H]1CBr 2325212835 HKGHWLFNJBJBGD-ZYHUDNBSSA-N 487.017 4.907 50 10 JJGE N#CC(=Cc1cccc(F)c1)C(=O)Nc1ccc(Br)cc1I 2329672302 LDGJNEVLZBPMPG-UHFFFAOYSA-N 471.067 4.738 50 10 JJGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(C)cc4)cs3)cc2C1=O 2331312289 CKDSREXPAJUGGK-UHFFFAOYSA-N 459.527 4.701 50 10 JJGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c1 2331325199 VVQJUVYPCUXOJZ-JOCHJYFZSA-N 489.553 4.941 50 10 JJGE N#CC(=C(O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc(F)c(F)c2)cs1 2331352286 CAWDNJSQILPCLI-UHFFFAOYSA-N 496.451 4.866 50 10 JJGE CC[C@@]1(C)[C@H](Cl)CCN1C(=O)c1ccc(I)c(Br)c1 2336767061 PVITUZMZEZHDKN-OCCSQVGLSA-N 456.549 4.676 50 10 JJGE COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 2693262 PIUNLSDSFZQKRD-JWGURIENSA-N 458.562 4.634 50 10 JJGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 31902152 PGDYFPRZLCGFKG-ZHZULCJRSA-N 496.972 4.882 50 10 JJGE Cc1ccc(N2C(=O)/C(=C/NNC(=O)CSc3ccc(Cl)cc3)c3ccccc3C2=O)cc1C 38183787 ZUNOEHDSPBTFSW-OEAKJJBVSA-N 492.000 4.898 50 10 JJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1 38650730 FPKPVJFBXQWPKP-MHZLTWQESA-N 470.525 4.850 50 10 JJGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)c1 38684859 IVMDJVVUCXITED-AREMUKBSSA-N 456.498 4.596 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C(C)C)cc2)c(OC)c1 40987376 GMLSOZWUFYUUBL-KGENOOAVSA-N 450.535 4.626 50 10 JJGE Cc1c(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c2ccccc2n1Cc1ccccc1C#N 58891116 FJRUZSGYXJZFPG-GDMGRDRRSA-N 450.542 4.834 50 10 JJGE N#C/C(=C/c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1)C(=O)NCc1ccccn1 96438292 NTMVNGFFCVZFRA-STZFKDTASA-N 498.384 4.979 50 10 JJGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccccc2C)c(OC)c1 207143237 YNILXIMNZCBQMX-PGMHBOJBSA-N 450.535 4.592 50 10 JJGE O=c1[nH]c2ccc([C@@H](Br)c3ccc(I)c(Cl)c3)cc2[nH]1 232342956 ULPMWUDMVJDZMI-ZDUSSCGKSA-N 463.500 4.599 50 10 JJGE O=c1[nH]c2ccc([C@@H](Cl)c3cc(Br)ccc3I)cc2o1 236048869 TYSLGCHZBRZYFE-CYBMUJFWSA-N 464.484 4.816 50 10 JJGE FC(F)(F)c1cnc(N2CCCCC[C@H]2CBr)c(I)c1 686110527 CAHFRHPXYVIFQO-JTQLQIEISA-N 463.079 4.849 50 10 JJGE CN(C(=O)c1ccc(I)c(Br)c1)[C@H](CCl)C(C)(C)C 721512263 WTGGHWGOVDMWIW-GFCCVEGCSA-N 458.565 4.779 50 10 JJGE CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2ccccc2Br)c1C 855634421 DWIMXZOFKYDEDF-UWCCDQBKSA-N 458.356 4.755 50 10 JJGE C/C(=C/C(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccccc1C(F)(F)F 1295314859 RHWVIKHEARWLBJ-KHPPLWFESA-N 452.376 4.546 50 10 JJGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2C)CCC3)cc1 1772743728 KHKMZSOXZYOGPR-UHFFFAOYSA-N 473.529 4.796 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)ccc1O 1865681679 SZKZDVDSOFTGLK-SFHVURJKSA-N 456.424 4.522 50 10 JJGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865684424 QDSWVJYBJXHOFS-QHCPKHFHSA-N 450.498 4.780 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1OC 1865696144 XPCQYTBZLKNPAY-JOCHJYFZSA-N 468.916 4.658 50 10 JJGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706591 ZYOMMZFFQCZRRE-OAQYLSRUSA-N 463.925 4.972 50 10 JJGE CSCC[C@@H](NC(=O)CCCC(=O)c1cccs1)C(=O)Nc1ccc(SC#N)cc1 1866795464 GAEGPBKLVGUZGL-QGZVFWFLSA-N 461.634 4.551 50 10 JJGE CCc1ccc(-c2nc(CC(=O)N[C@H](CC)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1867180038 FHEJBMPZUWMQSK-OAQYLSRUSA-N 462.575 4.862 50 10 JJGE O=C(CBr)c1cc(Br)c(OC(F)(F)F)c(I)c1 2054836484 RRJRROJJYUZEBV-UHFFFAOYSA-N 487.835 4.530 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@@H]2CCC[C@@]2(CBr)C1 2103167618 GBGWWIAHZDAKAR-ISVAXAHUSA-N 472.040 4.910 50 10 JJGE CCCC(CBr)(CCC)CN=[S@@](C)(=O)CC1CN(C(=O)OC(C)(C)C)C1 2109490677 HZISAIKXJSHPCT-SANMLTNESA-N 453.487 4.933 50 10 JJGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N1CCC[C@@H](OCc2ccccc2)C1 2186383273 ZXNNXEIOJXTOLY-LJQANCHMSA-N 472.832 4.913 50 10 JJGE CC1(C)C[C@](C)(CBr)CN1S(=O)(=O)c1cc(Cl)c(Br)s1 2199547343 MLZYFXZCPBOKTI-GFCCVEGCSA-N 465.660 4.738 50 10 JJGE O=C(NN=Cc1cc(Cl)cc(Cl)c1O)C(=Cc1cccs1)NC(=O)c1ccccc1 2297550830 YGJRLPNWOJUPOF-UHFFFAOYSA-N 460.342 4.682 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@]1(C)COCCO1 2339657686 AJJWGGCITCJKRD-CHWSQXEVSA-N 460.963 4.901 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@@H]2CC[C@@H](Br)[C@H]1C2 2359382147 SKPQPYRHGGGNDR-DRCTWCGVSA-N 468.560 4.723 50 10 JJGE CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1 14039532 SOUFVXZEPZBZNM-UHFFFAOYSA-N 462.546 4.644 50 10 JJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 14658923 MFVVSSPOZBWUBF-HNNXBMFYSA-N 463.372 4.590 50 10 JJGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1 39858537 FZJBVCXZTMIVFD-LGMDPLHJSA-N 456.889 4.994 50 10 JJGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816014 CTTMPBJMQMWSBE-XKXFLAFKSA-N 489.547 4.944 50 10 JJGE CC(C)c1ccc(OCC(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 40846318 MRCTXKCRWWZQTE-GNVQSUKOSA-N 461.949 4.910 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(Br)cc1 40925782 OHUAXYMIWBLQKV-LDADJPATSA-N 495.329 4.883 50 10 JJGE Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=N/NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 59146699 SFSOPMDRXPINDT-ZFVWIKOCSA-N 476.320 4.622 50 10 JJGE Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3c(F)c(F)c(F)c(F)c3F)cc2)n1 254405382 MVKQQRAIMNLVML-UHFFFAOYSA-N 466.435 4.845 50 10 JJGE O=C(Cc1cccc(C(F)(F)F)c1)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 254531237 NFEKMEACKNRJAO-UHFFFAOYSA-N 457.408 4.885 50 10 JJGE COc1ccc(C(=O)NN=Cc2sc(N3CCCCC3)nc2-c2cccs2)cc1OC 254824644 NOWGGPULXNTCKP-UHFFFAOYSA-N 456.593 4.643 50 10 JJGE CC(C)(C)C(=O)[C@H](Br)Cc1ccc(Br)c(I)c1 304197724 LCBISQSLNAWMNS-SNVBAGLBSA-N 473.974 4.975 50 10 JJGE O=C(NC[C@H]1CCCCO1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238892 YRBMKKJNNIBVJG-APWZRJJASA-N 474.932 4.765 50 10 JJGE CNC(=O)c1cc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1Cl 918649100 BBAKOJDJZGPGGB-GZTJUZNOSA-N 450.901 4.792 50 10 JJGE COc1cc(C=NNC(=O)C(=O)Nc2ccccc2F)ccc1OCc1c(Cl)cccc1Cl 1083986840 YPLWYAMWDNIZBW-UHFFFAOYSA-N 490.318 4.809 50 10 JJGE O=C(Nc1ccccc1C(=O)NN=Cc1cc(Br)ccc1O)c1ccc(Cl)cc1 1084477481 VQNBRSOUYBYOPL-UHFFFAOYSA-N 472.726 4.824 50 10 JJGE CN(C(=O)OC(C)(C)C)c1ccc(NS(=O)(=O)c2ccc(CBr)cc2)cc1 1260509863 MBSORUBSAJTWLG-UHFFFAOYSA-N 455.374 4.754 50 10 JJGE C/C(=C/C(=O)NNC(=O)[C@@H](C)Oc1c(C)cc(Cl)cc1C)c1cccc(C(F)(F)F)c1 1540335682 HSIRAMGGDUYKMB-KUGGDMIFSA-N 454.876 4.994 50 10 JJGE CC#CC[C@H](CO)NC(=O)Nc1cc(Br)ccc1CO[Si](C)(C)C(C)(C)C 1672213319 HQWONEJDUSHVMZ-QGZVFWFLSA-N 455.469 4.867 50 10 JJGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745036 PGJDUKYTWLMBGY-UHFFFAOYSA-N 496.907 4.881 50 10 JJGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccccc3O)CCC4)c2n1 1772751843 NWXYUXJXLFYMGS-UHFFFAOYSA-N 469.497 4.840 50 10 JJGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cccc(OC)c1O)C(C#N)=C(N)O2 1865684585 SKGJNDXQZZXYHK-QHCPKHFHSA-N 452.514 4.910 50 10 JJGE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687803 ATCFDZSIWPWJAO-SANMLTNESA-N 493.567 4.678 50 10 JJGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 1865709350 AFQFQKSCFBNVFH-IBGZPJMESA-N 456.289 4.673 50 10 JJGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 1865713093 QOMDNWVCRISPEJ-LJQANCHMSA-N 470.316 4.927 50 10 JJGE N#CSc1ccc(NC(=O)CNC(=O)CC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 1868138127 OIVQYKJASMUJIR-UHFFFAOYSA-N 451.498 4.815 50 10 JJGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCCS(=O)(=O)C2)c1Br 1922929521 JYCCYYKIJYYNJY-VXNVDRBHSA-N 481.069 4.842 50 10 JJGE BrCc1ccc(I)c(Br)c1Br 2054855390 ORMDBFSMHNMDNM-UHFFFAOYSA-N 454.725 4.711 50 10 JJGE C[C@H]1CC[C@@](CBr)(NC(=O)c2cc(Br)sc2Br)C1 2074212908 REKVDDJWQXOGER-JVXZTZIISA-N 460.029 4.957 50 10 JJGE Cc1cc(F)cc(F)c1Cn1nc(CCl)c(I)c1C(F)(F)F 2079211369 QHTSTINEFCHPDY-UHFFFAOYSA-N 450.576 4.880 50 10 JJGE O=C(N[C@@H]1CCC[C@@H]1CCCl)c1ccc(I)c(Br)c1 2090574226 XYPFRFILZAJWJZ-NOZJJQNGSA-N 456.549 4.581 50 10 JJGE CC[C@H](Cl)CN(C(=O)c1cc(Br)ccc1I)C1CC1 2107414587 LCVSHKLKRSNQLA-JTQLQIEISA-N 456.549 4.676 50 10 JJGE CCOc1ccc([C@H](Br)c2cn(C)nc2Br)c(Br)c1 2116554057 HYZCUTKQWCVYKH-LBPRGKRZSA-N 452.972 4.828 50 10 JJGE CCN(CCCCBr)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2159110626 CIOBCHSDFWSFFZ-UHFFFAOYSA-N 468.038 4.942 50 10 JJGE COc1cc(Br)c([C@H](Br)c2cc(Br)n(C)n2)cc1C 2227738023 JYNYEEPRQFHOAA-ZDUSSCGKSA-N 452.972 4.746 50 10 JJGE O=C(c1csc(I)c1)N1C[C@H](Br)C[C@H]2CCCC[C@@H]21 2264821507 FONVDEKFQYHRNO-JLLWLGSASA-N 454.171 4.521 50 10 JJGE O=C(NCC1(CBr)CC(F)(F)C1)c1cccc(Br)c1Br 2281650665 DTJFWITYFHMZLR-UHFFFAOYSA-N 475.953 4.752 50 10 JJGE CCOc1cc(C=C(C#N)c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1ccccc1 2295841126 BRBSDOTUWMNYSS-UHFFFAOYSA-N 466.497 4.816 50 10 JJGE Cc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3Cl)nc3ccccn3c2=O)c1 2314532144 GMZNIPDJJGBTET-UHFFFAOYSA-N 456.889 4.994 50 10 JJGE FC1(F)CCN(Cc2ccc(Cl)cc2I)C[C@H]1CBr 2341028872 ZIBFLRUGQHSXLF-SNVBAGLBSA-N 464.519 4.797 50 10 JJGE F[C@@H]1[C@H](Cl)C[C@H]2CC[C@H]1N2Cc1ccc(I)c(Br)c1 2349835027 ILKGIAQOVMMJNY-WGEPELCKSA-N 458.540 4.736 50 10 JJGE CCCO[C@H]1[C@@H](OCc2ccc(I)c(Br)c2)C[C@H]1Cl 2350039400 LNRFJFRCDHKINP-KWCYVHTRSA-N 459.549 4.745 50 10 JJGE C/C(N)=C(/C#N)C(=O)CSc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1 9562120 OQDLNSHMQQKLAM-GHRIWEEISA-N 460.401 4.630 50 10 JJGE C#CCOc1ccc(Br)c(/C=N/NC(=O)[C@H](C)Oc2cccc3ccccc23)c1 20311257 VLNOXAJHRHPOQE-JZCUADNKSA-N 451.320 4.532 50 10 JJGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc21 38660734 QNBNKPAAQPIVMQ-XMMPIXPASA-N 491.341 4.824 50 10 JJGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc21 38700768 JWWLLVLHWHJHFE-RRPNLBNLSA-N 498.535 4.829 50 10 JJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3cccc(C)c3)nc3ccccn3c2=O)cc1 39858613 QCWZYCAVNPNWQQ-SILNSSARSA-N 494.507 4.518 50 10 JJGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1 207141567 AVLJTFZOJOEQEG-NMWGTECJSA-N 498.579 4.666 50 10 JJGE CCn1c2ccccc2c2cc(NC(=O)CC(C)=NNC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 254300564 CGQGMOHUQKJXEB-UHFFFAOYSA-N 457.490 4.857 50 10 JJGE CCOc1ccc(Br)cc1C(=O)NN=Cc1ccccc1OC(=O)c1ccc(OC)cc1 254393210 SYORUTRJUFPNQX-UHFFFAOYSA-N 497.345 4.840 50 10 JJGE COc1ccc(C=NNC(=O)c2ccccc2Br)cc1CSc1ccccn1 254478372 VDSCHEGDRSJFPL-UHFFFAOYSA-N 456.365 4.909 50 10 JJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cccc(C)c3)cc2)cc1 254715668 SRGINUGZLOVVLG-UHFFFAOYSA-N 460.530 4.922 50 10 JJGE O=C1Cc2cc([C@H](Cl)c3sccc3I)c(Br)cc2N1 388895996 UBMWSWYCNIVNCQ-LBPRGKRZSA-N 468.541 4.938 50 10 JJGE CCOc1ccc([C@@H](Br)c2cn(C)c(Br)n2)cc1Br 698451609 SKGCQWAQYQVPKZ-GFCCVEGCSA-N 452.972 4.828 50 10 JJGE C[C@@H](c1nnc(SCC(=O)NN=C2C[C@H]3CC[C@@]2(C)C3(C)C)n1-c1ccc(Cl)cc1)N(C)C 1087755659 WVOCPTUZRZLXFF-VMPBMTGNSA-N 489.089 4.954 50 10 JJGE C/C(=C\C(=O)NNC(=O)[C@@H](C)Oc1c(C)cc(Cl)cc1C)c1ccc(C(F)(F)F)cc1 1463544164 FJRXEVASXCHRMO-AYJWMTRPSA-N 454.876 4.994 50 10 JJGE COc1cc(OC)cc(C(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)c1 1858897361 UYTLRPQXRPGBKA-UHFFFAOYSA-N 463.515 4.818 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865698406 SNNYIYHXKWQTGT-NRFANRHFSA-N 493.361 4.577 50 10 JJGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1F 1915771187 KQZFIYINYXFPTE-UHFFFAOYSA-N 479.209 4.953 50 10 JJGE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCCSSCCNC(=O)OC(C)(C)C 1985349515 AFCLJBHXSJLWSB-IAGOWNOFSA-N 463.710 4.518 50 10 JJGE O=S(=O)(c1ccc(CBr)cc1Cl)N(Cc1ccccc1)CC(F)(F)F 2059265204 RDSTWRJSVUCPEF-UHFFFAOYSA-N 456.711 4.988 50 10 JJGE Cn1ncc(Br)c1C[C@H](CBr)Cc1ccc(Br)cc1 2087324854 FBHIJAFKUKRFAT-LLVKDONJSA-N 451.000 4.741 50 10 JJGE C=CC[C@](C)(CBr)CNC(=O)c1ccc(I)c(Cl)c1 2137194282 RFHAENRNKXUHAU-CQSZACIVSA-N 456.549 4.652 50 10 JJGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cnn(C)c1Br 2139006266 RPNYJHMDKYHNGC-LLVKDONJSA-N 452.972 4.746 50 10 JJGE CO[C@@H](COc1c(Br)cc(CBr)cc1Br)[C@@H]1CCOC1 2150288973 UMJDEAOGSWNFBC-MFKMUULPSA-N 472.999 4.537 50 10 JJGE CC[C@@H](Br)CN(c1ncc(C(F)(F)F)cc1I)C1CC1 2163669772 OYMRQXRLFOJCQA-SECBINFHSA-N 463.079 4.847 50 10 JJGE O=C(NCC[C@H]1CCCC[C@H]1Cl)c1cc(I)ccc1Br 2179636008 FSCGDANGFJPHMQ-QMTHXVAHSA-N 470.576 4.971 50 10 JJGE Cc1cc(C)c(S(=O)(=O)N(Cc2ccccc2)C[C@H]2CCCO2)cc1CBr 2179857825 FMHYURCNGIPKKL-HXUWFJFHSA-N 452.414 4.568 50 10 JJGE C[C@@H](Br)[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2193587182 SXWLPRXXUDEIHE-HQJQHLMTSA-N 466.022 4.692 50 10 JJGE Cc1ccc([C@@H](Br)c2cc(S(C)(=O)=O)cs2)cc1I 2224626539 JFFYFHLKSIQFFV-CYBMUJFWSA-N 471.179 4.549 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CCC[C@@H](CCCCl)C1 2234187016 UKTCNMSIPCXORE-LLVKDONJSA-N 470.576 4.925 50 10 JJGE COc1ccc([C@@H](Cl)c2nn(C)c(Cl)c2Br)cc1I 2269533063 CPISNABQTLBRRV-SNVBAGLBSA-N 475.939 4.777 50 10 JJGE Cc1cc(Br)c([C@H](Br)[C@H]2C[C@H](S(C)(=O)=O)C2)cc1Br 2269767527 ITLFDFYPUAEIAA-JRKPZEMJSA-N 475.040 4.779 50 10 JJGE CC(C)[C@H](CBr)CNC(=O)Cc1cc(Br)cc(Br)c1 2277931278 WSQMUCIXTRTBDY-LLVKDONJSA-N 456.016 4.537 50 10 JJGE C[C@@H]1C[C@@H](CBr)CN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295307073 DYTGLTJZPXQZMC-PWSUYJOCSA-N 468.027 4.634 50 10 JJGE C[C@@H]1CCCN(C(=O)Cc2cc(Br)cc(Br)c2)[C@@H]1CBr 2295318202 WZGZPQCSHVBRTH-QMTHXVAHSA-N 468.027 4.776 50 10 JJGE O=C(c1scc(Br)c1Br)N1[C@H]2CC[C@H](C2)[C@@H]1CBr 2310106594 VTJRAJTXWHELNE-FJXKBIBVSA-N 458.013 4.661 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cccc(Cl)c1 2314753268 RZFDXNVEIUXOTG-UHFFFAOYSA-N 450.878 4.774 50 10 JJGE COc1ncc(Br)c(C)c1CN(C)C[C@@H](Br)COCc1ccccc1 2319570797 FJAUDKMODQKKLE-MRXNPFEDSA-N 472.221 4.573 50 10 JJGE CCCN1C[C@H](Cc2ccc(I)c(Br)c2)[C@@H](Br)C1 2325208777 IRVCZUVISVUTFN-AAEUAGOBSA-N 487.017 4.702 50 10 JJGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)C(=O)NC2CCCCCCCCCCC2)c1 2325480020 IAVUBBYCJDBSPN-UHFFFAOYSA-N 469.582 4.869 50 10 JJGE C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@]1(OC(=O)c1ccco1)C(=O)CCl 2333172512 UDJQOKVZFMMKGS-DZBVKTKOSA-N 484.976 4.716 50 10 JJGE Clc1ccc(I)cc1COCC1(CBr)CCOCC1 2352275161 HCOHWRGAIKSYJA-UHFFFAOYSA-N 459.549 4.653 50 10 JJGE O=S1(=O)C[C@H]2C([C@H](Br)c3c(F)cc(Cl)c(Br)c3Cl)[C@@H]2C1 2360484528 SRLJLACJKUGDJP-NWWTUURKSA-N 466.981 4.622 50 10 JJGE FC(F)(F)[C@@H]1CN(Cc2ccc(Cl)cc2I)C[C@@H]1CBr 2366739581 XNLZMBRKELCZGP-GXSJLCMTSA-N 482.509 4.950 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)CC)cc2)cc1Br 14640684 GOXYPNUOBDRPHK-UHFFFAOYSA-N 490.398 4.832 50 10 JJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCC(C)C)cc1 14667018 JLWMUTMKONKIAI-INIZCTEOSA-N 477.399 4.837 50 10 JJGE CCc1ccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1 40587357 CBDLIFVNEYHMAC-UHFFFAOYSA-N 468.517 4.966 50 10 JJGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OC 40924488 QSUKQXZUOHHEEY-LSHDLFTRSA-N 492.420 4.832 50 10 JJGE C=CCOc1c(Cl)cc(/C=N/NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1Cl 58893930 YKUUJPHESOYYNZ-UMFTVLFGSA-N 451.350 4.921 50 10 JJGE COc1ccc(CN(C(=O)CCl)[C@@H](C(=O)NC2CCCCCC2)c2ccc(OC)cc2)cc1 97914995 LTODONMYCSAEAZ-RUZDIDTESA-N 473.013 4.852 50 10 JJGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)C1=O 101332946 VVNAPYNCGGPDJE-HZHRSRAPSA-N 496.567 4.949 50 10 JJGE CN(C)c1ccc([P+](C)(c2ccc(N(C)C)c3ccccc23)N2CCOCC2)c2ccccc12 103614745 MVOGHUVTFRKJOY-UHFFFAOYSA-N 472.593 4.970 50 10 JJGE CCn1c(C)nc2cc(C(=O)NN=Cc3ccc(OCc4ccc(F)cc4)c(OC)c3)ccc21 254405485 VXUIFDDAYVOPPA-UHFFFAOYSA-N 460.509 4.855 50 10 JJGE CCc1ccc(C=NNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Cl)cc2)cc1 254593523 NCPIYIVXMMQOST-VWLOTQADSA-N 472.976 4.875 50 10 JJGE CCC[C@@H](C)c1ccc(OCC(=O)NN=Cc2cccc(I)c2)cc1 254697332 QWSPKLVEHYWIPX-OAHLLOKOSA-N 450.320 4.724 50 10 JJGE CC(C)(C)OC(=O)N1C(=O)OC(=O)[C@@H]1CCCCNC(=O)OCC1c2ccccc2-c2ccccc21 309866181 MNYRWGVMKHCPDD-QFIPXVFZSA-N 494.544 4.978 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CCC(CCCl)CC1 400954831 IZPPIFOTHKBNSU-UHFFFAOYSA-N 456.549 4.535 50 10 JJGE O=C(NC1(CCBr)CCSCC1)c1cc(Br)ccc1Br 719666088 NVXBACMYNUQTEK-UHFFFAOYSA-N 486.067 4.992 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)c(-c2ccccc2)n1 761413983 BPNVZUUBCZIXNG-SFQUDFHCSA-N 494.338 4.859 50 10 JJGE C#CCN(Cc1ccccc1)C(=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 1297620953 CKEFLPVXZJBKAQ-UHFFFAOYSA-N 455.674 4.615 50 10 JJGE C#CCNC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2)c1C 1357693646 GXMOQABDZJQIMN-XSFVSMFZSA-N 456.933 4.656 50 10 JJGE CC(=O)c1ccc(NC(=O)NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)nc1 1670665978 RVIUHESVHNIDFS-UHFFFAOYSA-N 459.893 4.619 50 10 JJGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1C(=NNC(=O)c1ccccn1)CCC2 1772747675 SFKLPWFUOBUCTF-HNNXBMFYSA-N 460.509 4.574 50 10 JJGE Cc1c(C(=O)NC2CCCCC2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772748061 NFSKNZNKISSZSV-UHFFFAOYSA-N 472.929 4.683 50 10 JJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)cc1OCC 1865691568 VPQAJSIYHYBZIZ-HSZRJFAPSA-N 474.561 4.984 50 10 JJGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cc(C)ccc1C 1865709725 FIPCUEXGIPXJKE-LJQANCHMSA-N 454.452 4.794 50 10 JJGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C[C@@H](Br)C1 1888778432 GXFJQDVAAVDPCH-ZMPRRUGASA-N 471.395 4.593 50 10 JJGE CC[C@H](CBr)COCc1cc(I)ccc1Br 1902213159 NBTXCGLWZFJWMB-SECBINFHSA-N 461.963 4.991 50 10 JJGE CC(C)[C@@H](Br)[C@H](C)NC(=O)c1ccc(Br)cc1I 2086150073 WMHXGWURWSQJLD-QPUJVOFHSA-N 488.989 4.592 50 10 JJGE CC(C)(CBr)c1cn(-c2ccc(Cl)c(I)c2Cl)nn1 2108758187 MBYNJJOWLHJBMM-UHFFFAOYSA-N 474.955 4.851 50 10 JJGE CN(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cc(CCl)sc2Br)C1 2112848941 IUCUWDDMTKJTNU-OAHLLOKOSA-N 477.877 4.535 50 10 JJGE C[C@@H]1CN(Cc2ccc(Br)cc2Br)C[C@@H](CCBr)O1 2122795461 WNOGYQWEOGHHHH-ZWNOBZJWSA-N 456.016 4.586 50 10 JJGE C[C@H](Br)CCCc1cn(-c2ccc(Br)cc2Br)nn1 2132761118 FXUMUEYXPAZNAG-VIFPVBQESA-N 451.988 4.898 50 10 JJGE CCC[C@](C)(CBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 2146581536 FGRIWCYPTCHLJY-CYBMUJFWSA-N 492.071 4.752 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CCC[C@H](CCBr)CC1 2149746112 BEQSWDLITUUZDU-LLVKDONJSA-N 470.576 4.972 50 10 JJGE COc1ccc(Br)cc1C(=O)N[C@H](C)CCCCCI 2174526060 GPGIBFASKIGBIQ-LLVKDONJSA-N 454.146 4.571 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC2(CCC(Br)CC2)C1 2181088083 QHVCLDVCGPUREI-UHFFFAOYSA-N 466.011 4.991 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](O[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 2217090084 FIDGAOUZVIZYSC-QNWHQSFQSA-N 463.278 4.547 50 10 JJGE Cc1ccc(I)c(C(=O)N[C@@H](CBr)C2CCCCC2)c1 2240914408 OCBQUVQBUSQAIA-HNNXBMFYSA-N 450.158 4.673 50 10 JJGE CC(C)CN(C[C@@H](C)Cl)C(=O)c1cc(I)ccc1Br 2272444328 CRLVOAQMKKKACK-SNVBAGLBSA-N 458.565 4.779 50 10 JJGE CCCN1CCC[C@H]([C@H](Br)c2scc(Br)c2Cl)S1(=O)=O 2279292424 JVOMXYYHUUKYER-ZJUUUORDSA-N 465.660 4.804 50 10 JJGE CCCN(C[C@H](C)Br)S(=O)(=O)c1cc(Br)c(C)cc1Br 2288065476 KTSHFMLPYXXGJP-JTQLQIEISA-N 492.071 4.704 50 10 JJGE Brc1ccc([C@@H](CI)OC2(C3CCCC3)COC2)cc1 2288591551 XPKIGSCWADPWJG-OAHLLOKOSA-N 451.142 4.901 50 10 JJGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1 2296834982 JBQYEPRZZRBGLB-DEOSSOPVSA-N 471.557 4.611 50 10 JJGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCCc2ccccc2)c1 2296846415 JQMXUIZYSFOTMK-UHFFFAOYSA-N 478.552 4.678 50 10 JJGE C[C@H]1Oc2ccccc2C=C1C=NNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 2297731150 VBYRVFSKLIRPLQ-HXOBKFHXSA-N 474.561 4.570 50 10 JJGE FC(F)(F)[C@H](Br)COCc1ccc(I)c(Br)c1 2306304784 LAWOPDCMANHKED-SECBINFHSA-N 487.879 4.896 50 10 JJGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc(C)c1 2313565329 RAFXVDLRCFUNRZ-UHFFFAOYSA-N 467.569 4.838 50 10 JJGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2)cc1 2314634640 RTLKCHVNULTMFV-MHZLTWQESA-N 484.508 4.549 50 10 JJGE CCCc1nc(Br)c(Br)n1C[C@@]1(CBr)CC1(F)F 2326881961 HGRLMXYQLFRGKR-JTQLQIEISA-N 450.947 4.781 50 10 JJGE COC(=O)c1c(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)sc(C(C)=CC#N)c1C 2331557547 JCLDTKPOIHWKRJ-UHFFFAOYSA-N 485.521 4.823 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@H]2C[C@H](Br)CC[C@H]21 2353892155 WJIOHILMAIKIKJ-IMSIIYSGSA-N 466.011 4.990 50 10 JJGE CC1(C)C[C@](C)(CBr)CN1C(=O)c1ccc(Cl)cc1I 2365585975 HAZLRHXSPYYFQA-OAHLLOKOSA-N 470.576 4.970 50 10 JJGE COc1ccc(C=NNC(=O)c2ccc(F)cc2)cc1CN1CCc2cc(OC)c(OC)cc2[C@@H]1C 13133369 IRUJTAWPTOLDKN-SFHVURJKSA-N 491.563 4.735 50 10 JJGE CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 20572872 RCHARFCIODMHBA-KCDOPAPYSA-N 472.295 4.524 50 10 JJGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2)c1 38650382 HARWSHWQFANXIL-VWLOTQADSA-N 456.498 4.921 50 10 JJGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1Cl 38688190 LOHWPDHZBKFWSK-QFIPXVFZSA-N 477.860 4.694 50 10 JJGE Nc1c(NNC(=O)c2ccc(Cl)cc2)ncnc1Nc1ccc(Cl)c(C(F)(F)F)c1 40784455 YJZNXNCKSREMSI-UHFFFAOYSA-N 457.243 4.885 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 58892796 RPZWYVSKDOLWFJ-WRIMGEDOSA-N 480.536 4.776 50 10 JJGE O=C(CCc1ccccc1O)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 59148053 YMUBFJPMHQPMOW-VEWQFJOQSA-N 475.548 4.982 50 10 JJGE CC1=C(C(=O)N/N=C/c2ccc(Cl)cc2Cl)[C@@H](c2ccc(Cl)cc2)NC(=S)N1 59384218 OUHGNMCBTCFYDB-WFBSDAATSA-N 453.782 4.590 50 10 JJGE COc1cc(Cl)c(/C=N/NC(=O)COc2ccc(C(C)C)cc2Br)cc1OC 66202224 KDGLNEMCZUASEY-AUEPDCJTSA-N 469.763 4.772 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc(Cl)cc1 96438768 APHJACQPGSPJDX-GRSHGNNSSA-N 490.899 4.520 50 10 JJGE O=C1OC(=O)[C@@H]2[C@H]1[C@@H](c1ccccc1)N(c1ccc(Cl)cc1Cl)C21C(=O)c2ccccc2C1=O 105573930 XKCXHDNMLSAONS-PCCBWWKXSA-N 492.314 4.689 50 10 JJGE CCOc1cc(/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214330837 IHFVYJNESSLRML-UOAMGUFGSA-N 486.568 4.744 50 10 JJGE CC(C)(C)C[C@@H](Br)CNC(=O)c1cc(Cl)ccc1I 232494684 HFDNUAKXQOBTSL-SECBINFHSA-N 458.565 4.874 50 10 JJGE CCOc1ccc(OC)cc1C=NNC(=O)COc1cc(C)c(Br)cc1C(C)C 252631062 VHKCKQMWOWXPJG-UHFFFAOYSA-N 463.372 4.817 50 10 JJGE O=S(=O)(c1ccc(CCl)cc1Br)N1CCC(OCc2ccccc2)CC1 383898638 LTPWDDZMEOSCBC-UHFFFAOYSA-N 458.805 4.558 50 10 JJGE CC[C@@H](Br)[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 387386921 JSXYEMKCNVRVND-HTRCEHHLSA-N 454.011 4.596 50 10 JJGE BrCc1ccc(Br)cc1N1CC[C@]2(CN(Cc3ccccc3)CCO2)C1 717595670 VRWRERJMCHDUTB-NRFANRHFSA-N 480.244 4.825 50 10 JJGE C/C(=C/c1cccc(Cl)c1)C(=O)NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 1654112168 IQLNVPLDWZOONR-KAMYIIQDSA-N 450.951 4.913 50 10 JJGE COc1cccc(-c2ccc(C(=O)NNC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c(C)n2)c1 1865758632 KDGZHWWFFGVWCP-CQSZACIVSA-N 474.344 4.601 50 10 JJGE CC1(C)CC(CBr)(CN(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)C1 1903468881 QRBDJBNNCCHCCB-UHFFFAOYSA-N 492.499 4.539 50 10 JJGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1cc(Cl)sc1Cl 1916361727 NXGSSZPHTAVLAY-GFCCVEGCSA-N 473.241 4.656 50 10 JJGE CCc1nn(C)c(C(=O)N(Cc2ccccc2)[C@H](C)CCBr)c1Br 2017376443 LUHFKZGUEBVLRM-CYBMUJFWSA-N 457.210 4.561 50 10 JJGE O=C(N[C@@H](CBr)C1CCCC1)c1csc(Br)c1Br 2032958397 COVRCSIXLHNYFV-VIFPVBQESA-N 460.029 4.957 50 10 JJGE C[C@H](CCl)CS(=O)(=O)Nc1cc(Br)c(Br)c(Br)c1 2034340515 YKUCMXOAMMTUCC-ZCFIWIBFSA-N 484.435 4.591 50 10 JJGE BrCc1cc(Br)c(OC[C@@H]2[C@H]3CCOC[C@H]32)c(Br)c1 2093711362 SJGKOORYYJDDTE-HBNTYKKESA-N 454.984 4.768 50 10 JJGE C[C@H](Br)C[C@@H]1CCCN1C(=O)c1c(Br)cccc1Br 2094089228 UKGOKVGIZRWIFX-UWVGGRQHSA-N 454.000 4.990 50 10 JJGE CC[C@@H](Br)CN(C(=O)c1cccc(Br)c1Br)C1CC1 2107417659 BBBBEHBDIPTODW-SECBINFHSA-N 454.000 4.990 50 10 JJGE Cc1cccc(C(=O)N[C@H](CBr)c2cccs2)c1I 2119041037 XLWRMYSCUJAEQK-LLVKDONJSA-N 450.139 4.527 50 10 JJGE COc1cc(C)c([C@H](Br)c2cc(I)sn2)cc1OC 2120031416 IWMIKTDYKUOBIX-ZDUSSCGKSA-N 454.127 4.558 50 10 JJGE ClCCc1nc2cncc(Br)c2n1[C@@H]1CCOC[C@@H]1OCc1ccccc1 2151794108 VTRTZXBMDNLCBA-MSOLQXFVSA-N 450.764 4.522 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H]2CCC[C@]2(CBr)C1 2159408511 LSBDRIQTIGULOA-NHYWBVRUSA-N 468.560 4.582 50 10 JJGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1cc(Cl)ccc1I 2185101071 VTNVDKZGSQLWHA-AAEUAGOBSA-N 470.576 4.969 50 10 JJGE CC(C)(C)OC(=O)N1CCN(C[C@@H](CBr)c2ccccc2)[C@H](C(F)(F)F)C1 2186682016 IACCZULDZRFBDA-CVEARBPZSA-N 451.327 4.649 50 10 JJGE O=C(c1cccc(Br)c1Br)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Br)C2 2190687058 YQGALZULWJPUOL-IRDCDUOOSA-N 469.974 4.690 50 10 JJGE O=S(=O)(Cc1cccc(Br)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 2218987235 IEOSQNOYEUNEOQ-LJQANCHMSA-N 487.257 4.955 50 10 JJGE C[C@H]1[C@@H](Br)C[C@@H](C)CN1C(=O)c1cccc(Br)c1Br 2227600356 MTPQPCDUJLHCRM-PTRXPTGYSA-N 454.000 4.846 50 10 JJGE CC(C)(C)OC(=O)N1CC2(CCS(=O)(=NCCCCCCCBr)CC2)C1 2277455185 MREYNTMTXBFPLT-UHFFFAOYSA-N 451.471 4.831 50 10 JJGE CC[C@@H](Br)CCCNC(=O)Cc1cc(Br)cc(Br)c1 2277936985 QYLFSBPLVSKROS-LLVKDONJSA-N 456.016 4.824 50 10 JJGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(Br)c1OC(C)C 2295669980 SZKNNQMJOBSWCS-UHFFFAOYSA-N 460.284 4.699 50 10 JJGE CCN(CC(C)(C)CI)[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2306808894 DQNSJNQDPIPOCO-JKSUJKDBSA-N 452.421 4.853 50 10 JJGE COC(=O)C(C#N)=Cc1cccc(OC(=O)COc2ccc(Br)cc2C(C)C)c1 2314770747 XLOCFZRBCKOOCA-UHFFFAOYSA-N 458.308 4.637 50 10 JJGE Cc1ccc(C=C(C#N)C(=O)N[C@@H](CCC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 2329622784 QKRFJPXCAYICRL-MHZLTWQESA-N 496.563 4.654 50 10 JJGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C(C)=Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 2330458791 FAHSKJBEVYWTAJ-AREMUKBSSA-N 499.592 4.955 50 10 JJGE N#CC(=C(O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc(F)cc2)cs1 2331344334 GNCQWYNXINAKOF-UHFFFAOYSA-N 478.461 4.726 50 10 JJGE COc1cc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(C(C)(C)C)C3)n2)c(OC)cc1Cl 2331376862 DKUYXJBPDXBHMI-LBPRGKRZSA-N 461.971 4.920 50 10 JJGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1cc(Br)cc2c1OCC2 2364063927 MWARGSOCXBYROO-SNVBAGLBSA-N 485.401 4.971 50 10 JJGE O=C(Nc1cc(F)c(I)c(F)c1)c1ccc(CBr)cc1 2366886196 BGXWKWYTVMQAJV-UHFFFAOYSA-N 452.036 4.717 50 10 JJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 14027866 WBRZFDXBUKNPQV-HNNXBMFYSA-N 459.329 4.801 50 10 JJGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 14036186 ZRAAJQHGSJBLDM-CQSZACIVSA-N 498.432 4.665 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@H]1c1ccc(Br)cc1 38651834 BNCVCVVWFKUMLG-OAQYLSRUSA-N 492.285 4.795 50 10 JJGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2F)cc1 38652261 POUNQEUSLBVVCF-LMKMVOKYSA-N 458.489 4.979 50 10 JJGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1N1CCC(Cc2ccccc2)CC1 40729407 INDCWVSGBISKTJ-UHFFFAOYSA-N 471.392 4.582 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)cc1 58894758 BTGHXXDFDOWIGY-GGIMQYPNSA-N 465.506 4.834 50 10 JJGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccccc2OCC(=O)O)cc1 59304693 VPRBCZNGVKJETA-OGLMXYFKSA-N 453.498 4.680 50 10 JJGE O=S(=O)(NC[C@@H]1CCCC[C@H]1CBr)c1cc(Cl)c(Br)s1 136731284 LFGRCKLCZWHBGA-IUCAKERBSA-N 465.660 4.644 50 10 JJGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCCC)cc2)c(OC)c1 207118331 VZRBLKFTRCCAFC-HBKJATORSA-N 462.546 4.926 50 10 JJGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)C1=O 214352397 QRVLXPYJWIBKLW-HAHDFKILSA-N 464.525 4.635 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CCC[C@@H]1CCCCl 236037793 PKDIPACMDFWFBI-NSHDSACASA-N 456.549 4.677 50 10 JJGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(C(C)(C)C)cc2)c(OC)c1 252621374 MXCHCSGCSWAKDL-SQBDFOJMSA-N 485.584 4.923 50 10 JJGE O=C(CBr)c1cc(Br)c(I)cc1OC(F)(F)F 575691540 MPPTYWUPKFEYDR-UHFFFAOYSA-N 487.835 4.530 50 10 JJGE C[C@H](Br)[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1I 688775306 CQGDJRGEBVSDMC-TVQRCGJNSA-N 456.549 4.723 50 10 JJGE CN(C[C@@H]1CCC[C@@H]1Br)C(=O)c1ccc(Br)cc1Br 689218071 KZFQGJOQASBOQG-CABZTGNLSA-N 454.000 4.847 50 10 JJGE C[C@@H]1CC[C@H](CBr)CN1C(=O)c1cc(Cl)ccc1I 708455527 BIYIIMWSQZFHOB-NXEZZACHSA-N 456.549 4.580 50 10 JJGE CCO[C@@H]1CCC[C@H](O[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 721652125 IOYYUCDCDNOOTQ-JTDSTZFVSA-N 467.388 4.555 50 10 JJGE CN(Cc1ccc(F)c(F)c1)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 912769267 CXYWVLVODCYAOI-PDGQHHTCSA-N 465.891 4.961 50 10 JJGE C#CCOc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(OCC)cc3)c2C)cc1 1526039083 LSPRWOXKSOIHJY-JJIBRWJFSA-N 453.542 4.728 50 10 JJGE C=CCN(C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2)c1C)[C@@H](C)COC 1538864309 DEHAKUIAURXORD-NNIWKIFQSA-N 456.384 4.813 50 10 JJGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744849 LIWVNWRUCBROJI-UHFFFAOYSA-N 480.908 4.550 50 10 JJGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865697715 ADIPLBXOIFKORD-VWLOTQADSA-N 492.535 4.846 50 10 JJGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865707818 HAKWYCOIOSBINT-JOCHJYFZSA-N 464.953 4.773 50 10 JJGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(C(=O)O)cc1)C(C#N)=C(N)O2 1865708833 HBFGDOIVBAJHGM-QHCPKHFHSA-N 450.498 4.894 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1865710163 PYWHIDVTALZMMW-MRXNPFEDSA-N 475.814 4.730 50 10 JJGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)cc1 1865710386 WYTNWOHSUJTQFX-KRWDZBQOSA-N 460.843 4.830 50 10 JJGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)Cc1cn(C)c2ccccc12 1865758911 AIKAPJDZQLJYNA-UHFFFAOYSA-N 467.356 4.859 50 10 JJGE CCCC[C@@H](NC(=O)[C@H]1CCCN1Cc1ccccc1F)C(=O)Nc1ccc(SC#N)cc1 1866918807 MZZIBZBEDKLDMS-DHIUTWEWSA-N 468.598 4.677 50 10 JJGE C[C@H]([C@@H](Cl)c1c(Br)sc(Br)c1Br)S(C)(=O)=O 1924580842 VJTZHQVKDXDHCT-AWFVSMACSA-N 475.449 4.749 50 10 JJGE CC1CC(CBr)(N(C)C(=O)c2csc(Br)c2Br)C1 2046088824 WUQFVNDUBJNXKZ-UHFFFAOYSA-N 460.029 4.909 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2CC(Br)C[C@@H]2C1 2065398659 CQFPZMVUCQHNJD-RNFRBKRXSA-N 458.013 4.519 50 10 JJGE C[C@@H]1CC[C@](CBr)(NC(=O)c2cc(Br)c(Br)s2)C1 2074214168 WEDDXPXVBGHBKX-KRTXAFLBSA-N 460.029 4.957 50 10 JJGE CN(CC(=O)c1cc(Br)sc1Br)C[C@H]1C[C@H](Br)C1 2076258951 DSGDMJHCEZALSZ-ZKCHVHJHSA-N 460.029 4.561 50 10 JJGE O=C(N[C@@H]1CCCC[C@H]1CBr)c1cccc(Br)c1Br 2092339393 DFDWUNKFFHEELB-JOYOIKCWSA-N 454.000 4.895 50 10 JJGE COC[C@@H](C)OC[C@@H](Br)CCc1c(Br)cccc1Br 2099443031 NAXHXJMHCIGFGI-MNOVXSKESA-N 459.016 4.959 50 10 JJGE CC1(C)[C@@H](Br)CC[C@H]1NC(=O)c1cc(Cl)ccc1I 2142132108 DPPFCQODYWJYOL-NWDGAFQWSA-N 456.549 4.627 50 10 JJGE CC[C@@H](Br)[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2170615487 RJTFTFOGPHUQJB-PSASIEDQSA-N 465.660 4.881 50 10 JJGE Cc1cc(S(=O)(=O)N2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@@H]2C)sc1CBr 2179821753 NQVMYHWKBBXDON-BBWFWOEESA-N 471.486 4.623 50 10 JJGE CS(=O)(=O)C1([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)CCC1 2201622132 RSVSRVBQCQDDLK-LLVKDONJSA-N 452.542 4.784 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(CCCCCI)C2)C1 2220221605 DESIOVYSKRRTDX-MSOLQXFVSA-N 464.432 4.951 50 10 JJGE Cc1c(Br)cnc2c1nc(CCl)n2C[C@H]1CC1(Br)Br 2224800247 FZAJRPHSQGEQMF-SSDOTTSWSA-N 472.406 4.747 50 10 JJGE C[C@H](Br)[C@H]1CCCN1C(=O)Cc1cc(Br)cc(Br)c1 2277925792 GMUHPCZYBSZIMZ-TVQRCGJNSA-N 454.000 4.529 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2283665017 LEKQDHRXIJSNDS-CHIMOYNISA-N 468.560 4.723 50 10 JJGE C[C@H]1C[C@@H](CBr)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2295312260 VUCHTCPEBKEWDK-QWRGUYRKSA-N 468.027 4.776 50 10 JJGE O=C(c1cc(Br)sc1Br)N1[C@H]2CC[C@@H]1[C@@H](CBr)C2 2308530887 KRMAULKJGUDAPQ-BKPPORCPSA-N 458.013 4.661 50 10 JJGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 2314634048 GLVGAUPLOCJKPD-VWLOTQADSA-N 453.454 4.740 50 10 JJGE Cc1cc(=O)oc2cc(OCC(=O)NN=Cc3ccc(OCc4ccc(Cl)cc4)cc3)ccc12 2328792002 SVPDNLLAXBZVST-UHFFFAOYSA-N 476.916 4.863 50 10 JJGE O=C(N[C@@H]1CCC[C@H]1CCBr)c1ccc(Cl)cc1I 2340061497 OMXPMPRPZXPANJ-TVQRCGJNSA-N 456.549 4.628 50 10 JJGE Clc1ccccc1C[C@@H](CBr)Cc1ncc(I)cn1 2353295666 IEOMLXRFPKFUDZ-SNVBAGLBSA-N 451.533 4.531 50 10 JJGE O=C(NCC(F)(F)C(F)(F)CI)c1ccc(Cl)c(Br)c1 2361684992 UTCUSGYZJOYWAO-UHFFFAOYSA-N 488.444 4.538 50 10 JJGE O=S(=O)(Nc1ccc(CBr)c(F)c1)c1cc(Cl)c(Br)s1 2367653966 NVSFEFZNMFYCTB-UHFFFAOYSA-N 463.575 4.999 50 10 JJGE COc1ccc2nc(N(/N=C/c3ccc(C)cc3)C(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2c1 9629303 HRWFCYWXYVMNAS-LQKURTRISA-N 498.564 4.948 50 10 JJGE COc1ccc(Br)cc1/C=N/NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 27520032 YJQXERJCCIUTSP-DHRITJCHSA-N 470.298 4.613 50 10 JJGE Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 33333420 ZPSDQLDEYFXZPD-KQWNVCNZSA-N 469.545 4.567 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2OC)cc1 38656979 NYVFCMIZYRWNGU-SANMLTNESA-N 486.524 4.930 50 10 JJGE Cc1cc(Cl)ccc1Nc1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-] 40590610 KFBJQKOTKKEJTD-UHFFFAOYSA-N 477.706 4.610 50 10 JJGE O=C(N/N=C1\CC(=O)c2ccccc21)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 102929359 PMCBMQPXEJHESN-NCELDCMTSA-N 488.352 4.515 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N2CCCC[C@H]2CCCl)cc1Br 155818820 FLQXRSWTCMHMSV-NSHDSACASA-N 459.631 4.692 50 10 JJGE Cc1cc(Br)c([C@H](Br)[C@H]2CCCCS2(=O)=O)cc1Br 169106286 CMVNRMWFCPURSH-OLZOCXBDSA-N 475.040 4.923 50 10 JJGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OCC)cc1 206311296 PCUQECLXTKXTEJ-JDOZLOAYSA-N 474.513 4.857 50 10 JJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C\c3cccc([N+](=O)[O-])c3)cc2)cc1 206593590 BDLSDCUHUUQPIC-APSNUPSMSA-N 486.528 4.619 50 10 JJGE O=S(=O)(NC[C@@H]1CC[C@H](Br)C1)c1c(Cl)cc(Br)cc1Cl 227792868 COPHQWMXXVDOMS-SFYZADRCSA-N 466.022 4.598 50 10 JJGE C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NN=C/C=C2\N(C)c3ccccc3C2(C)C)cc1 254696550 TVDOBZZYSYKFFL-DGCWBVKLSA-N 488.632 4.882 50 10 JJGE Cc1cccc(COc2ccc(Br)cc2C=NNC(=O)c2cc(O)cc(O)c2)c1 254711277 LFXUUVGJAJQTDC-UHFFFAOYSA-N 455.308 4.512 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CCC[C@H](CBr)CC1 378735295 GBLUTSQNLCYDST-JTQLQIEISA-N 456.549 4.582 50 10 JJGE Cc1ccnc2c1nc(CCl)n2-c1cc(I)ccc1Br 380210996 HAPNFVFPNVXYNN-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE CN(CCCOCc1ccccc1)S(=O)(=O)c1cc(Br)cc(CCl)c1F 383999361 KRMQLIAXIXCALS-UHFFFAOYSA-N 464.784 4.554 50 10 JJGE C[C@@H](CCBr)CCNC(=O)c1cc(Br)ccc1I 397718980 AFWDCMLEVUOLSP-VIFPVBQESA-N 488.989 4.595 50 10 JJGE C[C@@H]1CN(C(=O)c2scc(Br)c2Br)C[C@@H](C)C1Br 705447418 ITIHMBNRKVLWRW-RNFRBKRXSA-N 460.029 4.765 50 10 JJGE COc1cccc(C(=O)NN=C2C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)c1 1084194450 FLTQKLFZVXKGDQ-UHFFFAOYSA-N 461.521 4.966 50 10 JJGE CC(=O)CN(CC(C)C)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 1570472873 QYUQSFHFACCZLO-RGVLZGJSSA-N 456.384 4.837 50 10 JJGE O=[N+]([O-])c1ccc(Cl)c([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)c1 1614702689 SOLJGOQUBROIGD-RHSMWYFYSA-N 456.711 4.899 50 10 JJGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NCc5ccco5)c(C)c43)coc2c1 1772752166 WQQNZAAMAUILRK-UHFFFAOYSA-N 473.529 4.873 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccccc2)C(C#N)=C(N)O3)cc1 1865680440 KZALBKPLVRTMFR-HSZRJFAPSA-N 452.489 4.964 50 10 JJGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865697223 XUTQLZYIKQKLMV-HXUWFJFHSA-N 483.341 4.709 50 10 JJGE CCOC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1NC(=O)/C(C#N)=C/c1ccc(F)cc1 1866127842 IOTMWNOODRWEJU-FOWTUZBSSA-N 497.324 4.805 50 10 JJGE COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1 1872727315 OXEWQMZRZQQCDM-FYJGNVAPSA-N 482.945 4.704 50 10 JJGE COc1cc(Br)ccc1C(=O)N(C)C[C@H](Br)COCc1ccccc1 1916334267 DSNHYUDJKFLBJW-INIZCTEOSA-N 471.189 4.510 50 10 JJGE Cc1ccc(C(=O)N(C)C[C@H](Br)COCc2ccccc2)cc1Br 1916389688 WDYAXGFSJPOGTJ-KRWDZBQOSA-N 455.190 4.810 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nnc3n2CCCCC3)cc1OC 2040456439 ADBZBGBMAISRDK-UHFFFAOYSA-N 466.545 4.939 50 10 JJGE CC(C)(C)[C@H]1[C@@H](Br)CCN1c1ncc(I)cc1Br 2069530839 AFLSLFSLQAHKMQ-GXSJLCMTSA-N 488.005 4.837 50 10 JJGE Cc1c(Br)c(C[C@H](CBr)c2cccc(Br)c2)nn1C 2093833855 IVMNGKZDUQAAMZ-LLVKDONJSA-N 451.000 4.975 50 10 JJGE C[C@H]1C[C@@H](CCl)CCN1C(=O)c1ccc(I)c(Br)c1 2115847619 MVKMXMBGWVRFMN-UWVGGRQHSA-N 456.549 4.533 50 10 JJGE Brc1ccc(Br)c(CN2C[C@H](Br)C[C@]3(CCCO3)C2)c1 2175149057 FRHCJHLOWQLRNC-UKRRQHHQSA-N 468.027 4.730 50 10 JJGE COCCOc1ccc([C@H](Cl)c2cc(I)sn2)cc1Br 2176540961 XDSOKHXUXUNNNW-ZDUSSCGKSA-N 488.572 4.864 50 10 JJGE COc1cc(F)c(Br)cc1[C@@H](Br)c1c(Br)c(C)nn1C 2192372869 HAHJBPUAASIRIM-GFCCVEGCSA-N 470.962 4.886 50 10 JJGE COc1cc(F)c([C@@H](Br)c2nn(C)c(Br)c2C)cc1Br 2202901915 JPIUEQFLYZXBDB-LLVKDONJSA-N 470.962 4.886 50 10 JJGE C[C@H](CCBr)CCN1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2211434970 JHANYTBZHTWMMG-GOSISDBHSA-N 492.499 4.587 50 10 JJGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCCS2(=O)=O)c(C)c1Br 2227360663 VFAKRMBQPWQISC-GWCFXTLKSA-N 475.040 4.842 50 10 JJGE CCCN(C[C@H](C)Br)C(=O)c1ccc(I)c(Br)c1 2259747505 NVNDPQDCFDMJMM-VIFPVBQESA-N 488.989 4.689 50 10 JJGE N#CC(=Cc1ccc(OC(=O)CN2C(=O)c3ccccc3C2=O)cc1)c1nc2ccccc2s1 2297476818 SZHRFDYDTNLKPU-UHFFFAOYSA-N 465.490 4.562 50 10 JJGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(F)ccc1Br 2303538280 JERDRCYCZUZCKT-OAHLLOKOSA-N 459.153 4.688 50 10 JJGE Cc1cccc(Br)c1C(=O)N[C@H](CCBr)COCc1ccccc1 2303539998 QATLPYVMVYSLCL-MRXNPFEDSA-N 455.190 4.858 50 10 JJGE COc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccccc2C)nc2c(C)cccn2c1=O 2314533907 VDICSICBHNQJDZ-UHFFFAOYSA-N 466.497 4.658 50 10 JJGE O=C(Cc1ccc(Br)cc1F)N[C@H](CCBr)COCc1ccccc1 2320355483 YFNLVQHJZXXQDK-QGZVFWFLSA-N 473.180 4.617 50 10 JJGE N#CC(=Cc1cccc(Br)c1)C(=O)Nc1cc2c(cc1Br)OCCO2 2329697221 VOYFEQJXDLCPQY-UHFFFAOYSA-N 464.113 4.528 50 10 JJGE COc1c(Br)cc(Br)cc1C=C(C#N)c1nc(O)c2ccccc2n1 2331030076 PQFJTUPVRVASFR-UHFFFAOYSA-N 461.113 4.933 50 10 JJGE CC(C)[C@@H]1C[C@H](Br)CN1C(=O)c1cc(Br)cc(Br)c1 2344772054 VNFGYZHQLUUTEF-STQMWFEESA-N 454.000 4.846 50 10 JJGE ClCc1nc(OCc2cc(I)ccc2Cl)ncc1Br 2352268912 ZTKBOPCGGOCEMV-UHFFFAOYSA-N 473.923 4.815 50 10 JJGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)NCCc3ccccc3)N(c3ccc(F)cc3)C2=O)cc1 1888925 IDNQIUZWKCILIZ-NJEMLTPYSA-N 485.584 4.919 50 10 JJGE CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 9872516 LHNKYQRPLDLECO-QLFBSQMISA-N 453.366 4.889 50 10 JJGE CCCCc1ccc2nc(NNC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)sc2c1 10046027 XQPPFEFCCXXOAI-UHFFFAOYSA-N 452.001 4.599 50 10 JJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2cc(C)ccc2C(C)C)c(Br)c1 14832296 OCCYKRGOOYLCMW-QGZVFWFLSA-N 491.426 5.000 50 10 JJGE O=C(CCCCl)Nc1ccc(N2CCCC2)c(S(=O)(=O)N[C@H]2CCCc3ccccc32)c1 34919366 WFEZFJUZQWKUAC-NRFANRHFSA-N 476.042 4.600 50 10 JJGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1 38649168 HCITVDASKHZBOR-XMMPIXPASA-N 491.341 4.960 50 10 JJGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)cc1 38651185 UJNJHBHRIQYHLA-XMMPIXPASA-N 462.889 4.551 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)c(OC)c1 38657229 KSBGTVADFJUSEI-RUZDIDTESA-N 492.915 4.560 50 10 JJGE C[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC[C@H]1Br 253195089 PWAJXZMLJNXLAY-IONNQARKSA-N 466.022 4.550 50 10 JJGE Cc1cccc(C(=O)NCC(=O)NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)c1 254429472 WAOQFBLYIRYZSM-UHFFFAOYSA-N 469.516 4.746 50 10 JJGE CC(=NNC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(NC(=O)C[C@H]2Nc3ccccc3NC2=O)cc1 725756770 CNCGXKOAWVSBPW-RUZDIDTESA-N 497.599 4.900 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)c(-c2ccccc2)n1 761413935 ATZKAZLWEHELJY-GZTJUZNOSA-N 494.338 4.859 50 10 JJGE COC(=O)c1cc(-c2ccc(C=NNC(=O)c3ccccc3Br)o2)ccc1Cl 1083986906 UYSRGHDPIHPAQD-UHFFFAOYSA-N 461.699 4.913 50 10 JJGE C/C(=C\c1ccc(Cl)cc1)C(=O)NNC(=O)COc1ccc(OCc2ccccc2)cc1 1124223858 YSEJABOTHDQDFF-OBGWFSINSA-N 450.922 4.549 50 10 JJGE CCOc1c(Br)cc(C=NNC(=O)COc2ccccc2C(C)(C)C)cc1OC 1772753811 JYYYVEBLSKYYCJ-UHFFFAOYSA-N 463.372 4.683 50 10 JJGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1cccc(F)c1 1865694218 VYTQPUGYFNIVPC-JOCHJYFZSA-N 462.525 4.648 50 10 JJGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc3c(c2)OCCO3)cc1 1865697716 ADNRGYFEMGWGRF-DEOSSOPVSA-N 462.509 4.837 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706579 ZTBRXQGKSSEMGV-XMMPIXPASA-N 498.514 4.678 50 10 JJGE CCOc1ccc(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(C)c(C)c3)nc2C)cc1OC 1865756051 CYNRROOBICRLPP-NTEUORMPSA-N 459.546 4.556 50 10 JJGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CCc4c(F)cccc4[C@@H]3C2)n1 1868389241 UCXPYQUXYVTTDZ-QFIPXVFZSA-N 488.592 4.831 50 10 JJGE COc1cc2nc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)c(OC)c3)nc(O)c2cc1OC 1872727637 QAZVQTKHYNHOIY-WOJGMQOQSA-N 483.480 4.645 50 10 JJGE CC[C@@H](Br)CN(Cc1ccccc1)c1ncnc(C)c1I 1888812116 IHUIWDXRFAHBQS-CQSZACIVSA-N 460.157 4.570 50 10 JJGE Clc1cc(I)c([C@H]2CC[C@H](CI)O2)s1 1889652958 YRWKKQVMNOZGMT-IYSWYEEDSA-N 454.498 4.661 50 10 JJGE COc1ccc(Br)c(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)c1 1916335870 WWVQPOYQGZQJGC-OAHLLOKOSA-N 471.189 4.510 50 10 JJGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1COCCO1 1923068140 NMUBWIGREINJAT-UJURSFKZSA-N 455.393 4.778 50 10 JJGE CC(C)[C@H](Br)C(=O)Nc1ccc(Cl)c(I)c1Cl 1945187887 JCISLQKPPYVAET-QMMMGPOBSA-N 450.929 4.956 50 10 JJGE O=C(N[C@H]1CC[C@H](CBr)CC1)c1cc(Br)c(Br)s1 2054667101 ORYCCEKUFQGGMW-ZKCHVHJHSA-N 460.029 4.957 50 10 JJGE O=S(=O)(C[C@@H](Br)c1cc(Br)sc1Br)N1CCCCC1 2089393852 OIMKKBLJWJIXKQ-SECBINFHSA-N 496.084 4.525 50 10 JJGE CC1(C)CN(Cc2ccc(Br)cc2Br)C[C@H](CBr)O1 2092261625 RRICJKSEUVUBQK-LBPRGKRZSA-N 456.016 4.586 50 10 JJGE C[C@H]1C[C@@H](Br)[C@H](C)CN1C(=O)c1ccc(I)c(Cl)c1 2093110626 DDBVGGXPSFCAJZ-WCABBAIRSA-N 456.549 4.579 50 10 JJGE C[C@H]1C[C@H](CBr)CN(C(=O)c2c(Br)cccc2Br)C1 2094092768 JGOYZVUKPFAZOQ-VHSXEESVSA-N 454.000 4.705 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CCC2(CC(Br)C2)C1 2117404277 FOTGFDYETUIYBM-UHFFFAOYSA-N 451.984 4.601 50 10 JJGE CC(C)(C)C[C@@H](CBr)CNC(=O)c1cc(I)ccc1F 2169662022 IJTNANOMHVJOHA-JTQLQIEISA-N 456.137 4.607 50 10 JJGE O=C(NCCCCCI)c1cc(Br)cc(C(F)(F)F)c1 2172407816 JFZCWSXFMJYWPZ-UHFFFAOYSA-N 464.063 4.803 50 10 JJGE O=C(NC[C@@]1(CCl)C[C@H]1C(F)(F)F)c1cc(Br)c(Br)s1 2192571230 AKUWCZAOQZWZER-XCBNKYQSSA-N 455.521 4.810 50 10 JJGE Brc1ccc([C@@H](CI)OC[C@H]2CC23CCOCC3)cc1 2198367156 RBDIHLCEXAVZFJ-UKRRQHHQSA-N 451.142 4.759 50 10 JJGE CN(C(=O)c1ccc(Br)cc1Br)[C@@H](CBr)CC1CC1 2226158705 ANYUQKGQKSNMOH-LLVKDONJSA-N 454.000 4.847 50 10 JJGE CC[C@H](C)[C@H](CI)NC(=O)Cc1ccc(Br)cc1Cl 2229149212 GRBOOBKBVWFMGP-ZANVPECISA-N 458.565 4.611 50 10 JJGE CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)cc1C(=O)NC1CC(Br)C1 2237287948 AUZMORWFLYIKIJ-UHFFFAOYSA-N 453.255 4.588 50 10 JJGE CC[C@@](C)(CCBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277929394 BARCSBAXAOKKSN-AWEZNQCLSA-N 456.016 4.824 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@@H]2C[C@H](Br)CC[C@H]21 2283653802 KBSOJMRSWPGPBT-GLXFQSAKSA-N 468.560 4.723 50 10 JJGE N#CC(=CC1=C(N2CCOCC2)C(=Cc2cccc([N+](=O)[O-])c2)CC1)C(=O)Nc1ccccc1F 2297399633 UZIJVCHJJSDCHH-UHFFFAOYSA-N 474.492 4.586 50 10 JJGE CCOCCCN1C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(OCC)c2)C(C)=C(C#N)C1=O 2314619031 YOAQQWSCINLXAP-UHFFFAOYSA-N 492.547 4.822 50 10 JJGE C[C@H](NC(=O)C(C#N)=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 2324816609 YTEASGBWMGSAOZ-QHCPKHFHSA-N 450.586 4.678 50 10 JJGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(F)cc3)cs2)CC1=O 2331343779 RVKFDPYRUNODBJ-OAHLLOKOSA-N 463.490 4.582 50 10 JJGE O=C(NNc1ncnc(NC23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40621670 ZRSTZINRQOSVDU-UHFFFAOYSA-N 477.352 4.829 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)c(C)c1 40812162 IJKAAUBWMOWJMW-NHFJDJAPSA-N 460.490 4.836 50 10 JJGE Cc1ccnc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)c1 40825943 YIQDSHVRTUTOKU-NDZAJKAJSA-N 453.502 4.562 50 10 JJGE COc1cc(/C=N/NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc(Br)c1OC 40960425 PCZHDNIYMBFHLZ-YCYNJWQJSA-N 469.763 4.654 50 10 JJGE CCCCOc1ccc(CCC(=O)Oc2ccc(/C=C(\C#N)C(=O)OC)cc2OC)cc1OCC 54624760 QCIUDLPVYLEDOC-RCCKNPSSSA-N 481.545 4.891 50 10 JJGE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)c1 101333889 HAORFSZRGBSSTI-OEAKJJBVSA-N 452.514 4.549 50 10 JJGE COc1ccc(COC(=O)[C@H](C(=O)Cl)c2ccc(OCc3ccc(OC)cc3)cc2)cc1 163444527 NJNJKCTUPVUBSF-QHCPKHFHSA-N 454.906 4.875 50 10 JJGE C[C@@H](NC(=O)c1cc2ccc(OC(=O)/C(C#N)=C\c3ccccc3)cc2oc1=O)c1ccccc1 206542324 OENGBXKFCQVWDR-QWQBBLJPSA-N 464.477 4.797 50 10 JJGE COc1cc(Cl)ccc1[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CI 382732599 VGUZNCNUOMYJFX-FZMZJTMJSA-N 451.732 4.734 50 10 JJGE CC[C@H]1[C@@H](CCl)CCN1C(=O)c1cc(I)ccc1Br 385636131 JHQMPBYTSYXICQ-RNCFNFMXSA-N 456.549 4.533 50 10 JJGE CC[C@@H]1[C@@H](CBr)CCN1C(=O)c1ccc(Br)cc1Br 386325065 UQODULJQBUJCDJ-NOZJJQNGSA-N 454.000 4.847 50 10 JJGE BrCc1c(Br)cccc1N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 404143952 GXZCIZCTSXVQMS-SFTDATJTSA-N 480.244 4.824 50 10 JJGE COC(=O)Nc1cc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)ccc1F 727334899 CPHYOAIVBHCQNX-WJDWOHSUSA-N 492.898 4.980 50 10 JJGE CC(C)(C(=O)NNC(=O)c1cccnc1Oc1ccc(F)cc1Br)c1ccccc1 731173006 GWLPQDMEOJVEAF-UHFFFAOYSA-N 472.314 4.514 50 10 JJGE CCC(=NNC(=O)COc1c(C)cc(Br)cc1Br)c1ccc(O)cc1 1083976978 LCKSLEWJEIJQLV-UHFFFAOYSA-N 470.161 4.535 50 10 JJGE O=C(COc1ccc(C=NNC(=O)C(c2ccccc2)c2ccccc2)cc1)NC1CCCCC1 1084245759 NHYHMCFMQDVIAL-UHFFFAOYSA-N 469.585 4.797 50 10 JJGE Cc1cc(Cl)ccc1NC(=O)COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F 1858680886 RMSKRUPYIHZUIU-UHFFFAOYSA-N 474.832 4.719 50 10 JJGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1ccc(C)cc1 1865692469 GHFQOWALFQGVGA-HSZRJFAPSA-N 458.562 4.818 50 10 JJGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1ccc(F)cc1 1865693720 QHZHOYFXKZJPAK-JOCHJYFZSA-N 462.525 4.648 50 10 JJGE CCCc1nn(CC)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865704926 IIQVSHHONDMFFU-HSZRJFAPSA-N 458.562 4.970 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1 1866936961 RIBYYPCGERMYFI-HJOGWXRNSA-N 475.545 4.574 50 10 JJGE CCCC[C@@H](NC(=O)c1cc(-c2cc(F)ccc2F)n(C)n1)C(=O)Nc1ccc(SC#N)cc1 1867104113 SIUFRVXQULLXHM-HXUWFJFHSA-N 483.544 4.866 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CC12CCC([C@H](CBr)NC(=O)OC(C)(C)C)CC2 1885093726 PLOUUPIWMMGXAJ-AQZMIJIOSA-N 461.441 4.996 50 10 JJGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1ccc(Cl)cc1CBr 1912992644 JIEAVDXGIUFRIR-UHFFFAOYSA-N 458.743 4.649 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCCOC2CCCCC2)C1 2027131255 AVVPWELACRNLDR-IBGZPJMESA-N 467.388 4.557 50 10 JJGE CCCN1CC[C@@H]([C@H](Br)c2scc(Br)c2Br)S1(=O)=O 2089520261 UWJVQKLLFHBOHE-WPRPVWTQSA-N 496.084 4.523 50 10 JJGE C[C@H](NC(=O)c1ccc(I)c(Br)c1)[C@H]1CCC[C@@H]1Cl 2111546659 MHIRIECHVZFSDO-XRNSZHNASA-N 456.549 4.580 50 10 JJGE CN(CCCOCc1ccccc1)S(=O)(=O)c1cc(F)c(Cl)c(CBr)c1 2123269392 QVVZXDJQWLRTAG-UHFFFAOYSA-N 464.784 4.601 50 10 JJGE CC[C@@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@@H]1CBr 2140783786 GACDPPMPEWYCAG-ZJUUUORDSA-N 454.000 4.705 50 10 JJGE O=S(=O)(NCC[C@H]1CCCC[C@@H]1Br)c1cc(Cl)c(Br)s1 2179630791 XMICOQQTZLQFBA-BDAKNGLRSA-N 465.660 4.786 50 10 JJGE C[C@@H]1C[C@H](Cl)[C@@H](C)N(C(=O)c2ccc(Br)cc2I)C1 2227594482 MKBDTDSTXTWUBS-LNLATYFQSA-N 456.549 4.532 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1[C@H]2CC[C@@H](Br)[C@H]1CC2 2229863292 ASFUKPSXIYGJOX-UFGOTCBOSA-N 451.984 4.742 50 10 JJGE Cc1ccc(C(=O)N(C)C2(CBr)CCCCC2)cc1I 2232831041 PDRIRMICVODASO-UHFFFAOYSA-N 450.158 4.769 50 10 JJGE O=C(NC1(CCBr)CCCC1)c1ccc(Cl)c(I)c1 2268347350 LFBRCFGQXGIBTC-UHFFFAOYSA-N 456.549 4.772 50 10 JJGE O=C(NCC1(CBr)CC(F)(F)C1)c1cc(Br)cc(Br)c1 2281662791 BCFPEKAJJNPVLC-UHFFFAOYSA-N 475.953 4.752 50 10 JJGE O=C(NC[C@@H]1CCCC[C@H]1CBr)c1ccc(Cl)c(I)c1 2283651890 NHVULMYTNBJZDB-RYUDHWBXSA-N 470.576 4.876 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CC2(CCC(Br)CC2)C1 2283666631 DAFNCJQVGXKSOX-UHFFFAOYSA-N 468.560 4.724 50 10 JJGE Cc1c(NC(=O)C(C#N)=Cc2ccc(-c3ccccc3Cl)o2)c(=O)n(-c2ccccc2)n1C 2296689794 TXMBUYMROYEJQC-UHFFFAOYSA-N 458.905 4.944 50 10 JJGE Ic1cccc(CO[C@@H]2CCCCC[C@@H]2I)c1 2302690676 NPQOLIFAKMYUFJ-UONOGXRCSA-N 456.105 4.944 50 10 JJGE NNC(=O)C=Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 2314019288 BPQBZLZLCMANKN-UHFFFAOYSA-N 450.547 4.991 50 10 JJGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)cc1C 2314531559 CGGZDXOHQNOMAB-UHFFFAOYSA-N 454.461 4.788 50 10 JJGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c1 2331320011 AEOWTIJRTNCSMX-UHFFFAOYSA-N 474.498 4.814 50 10 JJGE COc1cc(C)c(Br)cc1[C@@H](Br)c1c(Br)ncn1C 2337327861 KEGSQZDXRXIKCR-LLVKDONJSA-N 452.972 4.746 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1(C)CS(=O)(=O)C1 2339683036 YVSORGSXAYSRJO-NSHDSACASA-N 479.003 4.530 50 10 JJGE O=C(Nc1cc(F)c(CBr)cc1F)c1cccc(I)c1 2368911116 QXHROKJTHGZXSB-UHFFFAOYSA-N 452.036 4.717 50 10 JJGE C[C@H](Cl)C(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NC[C@H]2CCCO2)c1 750409 KJTVNZINUVKONE-WMZHIEFXSA-N 484.040 4.620 50 10 JJGE CCOc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)cc(Br)c1O 3027015 MVBPQCTUMXDEJO-AFUMVMLFSA-N 469.335 4.750 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OS(=O)(=O)c1ccccc1 6906994 RVPBTPXETFKBGB-ATVHPVEESA-N 468.918 4.662 50 10 JJGE CCOC(=O)NC(=O)/C(C#N)=C/Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(Cl)c1 8781649 VRZWNDBJIMQNSF-PKNBQFBNSA-N 454.792 4.638 50 10 JJGE Cc1cc(OCC(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)cc(C)c1Cl 14652867 BTHRQWQYSARIQO-UHFFFAOYSA-N 483.790 4.594 50 10 JJGE C/C(=N\NC(=O)c1ccncc1)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 20352679 JSXBHYNKUPXSBU-SSGLAOATSA-N 450.926 4.603 50 10 JJGE CCCCOc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 38608321 SMHHZGKKJDTDCN-XQNSMLJCSA-N 474.557 4.718 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OC 59474947 MNAKRSKUUKTWCU-CXUHLZMHSA-N 476.314 4.861 50 10 JJGE C[C@@H](Cl)CC(C)(C)CNC(=O)c1cc(I)ccc1Br 393567333 NQDWIRPFGDXZRF-SECBINFHSA-N 458.565 4.827 50 10 JJGE COc1cc(C(=O)NNC(=O)N[C@H](c2ccc(C(C)C)cc2)c2cccs2)cc(OC)c1OC 913625711 CWFVRHQXXSTIQR-JOCHJYFZSA-N 483.590 4.631 50 10 JJGE O=C(NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1cccc(Cl)c1 1084485917 IPQGYDYJISASAH-UHFFFAOYSA-N 482.765 4.826 50 10 JJGE Cc1cc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)ccc1[N+](=O)[O-] 1614641312 KCKRZCRGQKDDCG-MSOLQXFVSA-N 480.302 4.690 50 10 JJGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C#N)=C(N)O2 1865680854 YCSOMPAFNSGEKD-FQEVSTJZSA-N 471.344 4.820 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)cc1O 1865681417 MVDSZQZIBNZTMC-QFIPXVFZSA-N 470.916 4.881 50 10 JJGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681754 WDUYFOALIQUAFC-RUZDIDTESA-N 494.551 4.853 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1OC 1865694935 FYQQRHURLMMUDT-SFHVURJKSA-N 456.424 4.517 50 10 JJGE Cc1ccc(C(=O)CCC(=O)NNC(=O)/C=C/c2cccc(OCc3ccccc3)c2)c(C)c1 1865759980 AVMBHBJEYFZHDE-NTCAYCPXSA-N 456.542 4.706 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OCc2ccc(F)cc2)c1 1873794301 CGUAYFUTHHFZPU-HUQXMHCUSA-N 457.546 4.794 50 10 JJGE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1CC(C)(C)CI 1904654331 WJOBUGCDSFCRBD-RTBURBONSA-N 472.411 4.959 50 10 JJGE Cc1nsc(Br)c1[C@@H](Br)c1cc2c(cc1Br)NC(=O)C2 1912982975 TZEITRLGCFRMTB-LBPRGKRZSA-N 481.007 4.955 50 10 JJGE C[C@H](Cl)c1cn(-c2cc(Br)c(I)c(Br)c2)nn1 1946435287 URHLNBUTDOKDNZ-YFKPBYRVSA-N 491.352 4.697 50 10 JJGE CCc1nn(C)c(C(=O)N(Cc2ccccc2)C[C@H](Br)CC)c1Br 2017376076 HDJFGQNCWBCIRR-CQSZACIVSA-N 457.210 4.561 50 10 JJGE O=C(c1csc(Br)c1Br)N1CCC(F)(CBr)CC1 2039797535 WHQKDXMWSAGXBD-UHFFFAOYSA-N 463.992 4.612 50 10 JJGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@H](Br)c1c(Br)sc(Br)c1Cl 2054226356 JDCNYNYXKNNCKD-OHKRPGQBSA-N 499.471 4.653 50 10 JJGE BrC[C@@H]1CC2(CCC2)CN1c1ncc(I)cc1Br 2069533578 JODAZBZYDNYOFI-JTQLQIEISA-N 485.989 4.593 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@H]2C[C@H](Br)C[C@H]1C2 2092329048 RGHBNIMLWPBNBY-LPEHRKFASA-N 451.984 4.600 50 10 JJGE CC(C)C[C@@H](CCl)CNC(=O)c1ccc(I)c(Br)c1 2120743154 SAAOLBCVKGBZQV-JTQLQIEISA-N 458.565 4.685 50 10 JJGE O=S(=O)(c1cc(CBr)ccc1Cl)N1CCC(OCc2ccccc2)CC1 2123208408 DRSVEPNHOAVMBB-UHFFFAOYSA-N 458.805 4.605 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@H](Br)[C@@H]2CC[C@@H]21 2133721508 CQIDXUSLSWJZCJ-GAFUQQFSSA-N 451.984 4.600 50 10 JJGE O=C(N[C@@H]1CCCC[C@@H]1CCCl)c1cc(I)ccc1Br 2146737480 OPBQMAMVETYHSH-QMTHXVAHSA-N 470.576 4.971 50 10 JJGE CCN(CC)[C@H](C)CO[C@](C)(CI)c1ccccc1Br 2175834629 KQTWWVVJKRJPTF-CZUORRHYSA-N 454.190 4.846 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1cccc(Br)c1Br 2204578890 MHVFDARSJNNYPP-VDUILEQBSA-N 466.011 4.894 50 10 JJGE C[C@@H](CCl)[C@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2207271011 FHYBNKJDBHINNR-IINYFYTJSA-N 470.576 4.923 50 10 JJGE CCN(C(=O)c1cc(Br)ccc1I)[C@@H]1CCC[C@@H]1Cl 2224410613 PLDJLNCNOOZXHI-WCQYABFASA-N 456.549 4.676 50 10 JJGE O=C(c1cccc(Br)c1Br)N1[C@H]2CC[C@@H](Br)[C@H]1CC2 2229861768 BIDIMRJZAKQWAT-MKPLZMMCSA-N 451.984 4.742 50 10 JJGE Cc1ccc(C(=O)N[C@H](CCBr)C2CCCC2)cc1I 2232837488 UIGKIAAFAHTRKL-OAHLLOKOSA-N 450.158 4.673 50 10 JJGE CS(=O)(=O)[C@H]1C[C@H]([C@@H](Br)c2cc(Br)sc2Br)C1 2249068540 NGRBZNNGBKZJNX-HCVRKRLWSA-N 467.042 4.532 50 10 JJGE CCCOc1ccccc1C=NNC(=O)C(=CC=Cc1ccccc1)NC(=O)c1ccccc1 2297453589 PRBMWWYOCVGUGL-UHFFFAOYSA-N 453.542 4.953 50 10 JJGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)ccc1OCc1ccc(F)cc1 2297491158 IILZLEDTQFZSMY-UHFFFAOYSA-N 463.421 4.573 50 10 JJGE N#CC(=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)C(=O)NC[C@@H]1CCCO1 2314476961 YUOZRNJLYLHSKX-QWRLVCTISA-N 456.590 4.542 50 10 JJGE C[C@H](NC(=O)C(C#N)=CN1CCN(c2cccc(Cl)c2)CC1)C12CC3CC(CC(C3)C1)C2 2324904454 LTGZCCIOSUVTCS-ABVOBTCJSA-N 453.030 4.591 50 10 JJGE FC(F)(F)C[C@@H](CCl)NCc1ccc(I)c(Br)c1 2325225834 JLVBOVYBIOBTRR-QMMMGPOBSA-N 456.471 4.703 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2CC[C@H]1[C@H](Br)C2 2325304557 QIGLGVCJYCKUMD-OOZYFLPDSA-N 458.013 4.661 50 10 JJGE CCOC(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3ccc(Br)cc3)sc2c1 2329665287 BQECOIOKKZHIAD-UHFFFAOYSA-N 456.321 4.781 50 10 JJGE CC(C)CN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc5c(c4)OCCO5)cs3)cc2C1=O 2331330015 KHDZKDKBOYQHPN-UHFFFAOYSA-N 487.537 4.783 50 10 JJGE CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]32)C1 2333224389 CSKDQVBRIWZGLL-GIADRTNZSA-N 456.364 4.865 50 10 JJGE Clc1cccc(C[C@H](CBr)Cc2ncc(I)cn2)c1 2353309524 MNXIRVJITYENAA-NSHDSACASA-N 451.533 4.531 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(C[C@@]3(CBr)CC3(F)F)C2)C1 2379981060 CPMYMQUKCJUGEY-GJYPPUQNSA-N 451.396 4.766 50 10 JJGE CCOC(=O)c1cc([N+](=O)[O-])c(SSc2sc(C(=O)OCC)cc2[N+](=O)[O-])s1 2024708 WLXMEJCPUQXJQF-UHFFFAOYSA-N 464.524 4.779 50 10 JJGE CC[C@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 9873712 AFJXOYRFXVIPDP-RBUKOAKNSA-N 459.546 4.681 50 10 JJGE CCC/C(=N\NC(=O)COc1ccc(Br)cc1Br)c1ccccc1 12584062 OZBWQKKKGVQPKR-LTGZKZEYSA-N 454.162 4.911 50 10 JJGE O=C(CCCc1nc2ccccc2s1)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 21876192 MBINWJMKPHKIFZ-UHFFFAOYSA-N 481.581 4.933 50 10 JJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1OC 38680914 GFMBQSNROGPJQU-MUUNZHRXSA-N 498.535 4.771 50 10 JJGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(=O)OC)cc2)cc1 38683660 PGBNMKOXQQDHEI-QUGAMOGWSA-N 498.535 4.627 50 10 JJGE CCOc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1 40912355 HGOYQUUGDPMRMS-CVKSISIWSA-N 483.362 4.956 50 10 JJGE COc1ccc(N(C(=O)/C(C#N)=C/c2ccccc2OC)S(=O)(=O)c2ccc(Cl)cc2)cc1 40977766 RWOZKFCJMQQBCK-OBGWFSINSA-N 482.945 4.686 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCC)cc2Br)cc1 58895021 WCAVYIQBKVVAQB-UQEONJGVSA-N 493.398 4.609 50 10 JJGE O=C(N/N=C(/CSc1nc2ccccc2o1)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 59460501 WAUONIJUFARMTD-CLCOLTQESA-N 477.458 4.571 50 10 JJGE C[C@H](Br)[C@@](Br)(CBr)C(=O)Oc1ccc(Br)cc1 205782602 XHWPRPYWUQDXEP-CPCISQLKSA-N 493.815 4.667 50 10 JJGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)NCCc2ccc(OC)c(OC)c2)cc1OC 206237712 AYPNPEJMZJZLCJ-JWGURIENSA-N 466.578 4.937 50 10 JJGE CC1(C)C[C@H]2C[C@@](C)(CN2S(=O)(=O)c2ccc(C(=O)NN=Cc3c[nH]c4ccccc34)cc2)C1 254487802 SKFIUJUEYLBIRI-RXFWQSSRSA-N 478.618 4.521 50 10 JJGE Cc1ccc(COc2ccccc2-c2cc(C(=O)NN=Cc3cccc([N+](=O)[O-])c3)[nH]n2)cc1 254516695 YSFIUXQOPCLDJF-UHFFFAOYSA-N 455.474 4.636 50 10 JJGE COc1ccc(C(=O)NN=C(Cc2nc3ccccc3[nH]2)c2ccc(Br)cc2)cc1 254744118 PYSLPOWARYUMNS-UHFFFAOYSA-N 463.335 4.711 50 10 JJGE CC[C@@H](C)c1ccc(OCC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 254871233 UBWWXVREBQYHNP-MRXNPFEDSA-N 451.479 4.906 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CCC[C@@H](CBr)CC1 378765719 YDBTYXBWUODFKF-MRVPVSSYSA-N 460.029 4.910 50 10 JJGE COc1ccc(Oc2cc(CBr)sc2[N+](=O)[O-])cc1I 712924315 FSFPAUBHLIBHED-UHFFFAOYSA-N 470.082 4.957 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)CSCc3ccc(Cl)cc3)cc2)cc1 1084206284 IFGKLSTUZPUPFX-UHFFFAOYSA-N 489.018 4.800 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@H](c2ccc(Br)c([N+](=O)[O-])c2)C1 1614620366 DTXXONYMBFCOQN-NEPJUHHUSA-N 464.154 4.703 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)ccc1O 1865681490 OTSJTRSRDUETLE-DEOSSOPVSA-N 480.524 4.870 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc1OCC 1865688827 BZRRPOWMHSPGGS-VWLOTQADSA-N 458.562 4.872 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)cc1OC 1865695771 SRMFYNSCDYMYDI-OAQYLSRUSA-N 450.926 4.714 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)c(OC)c1 1865708365 VHZNIXSZVVTIQO-SFHVURJKSA-N 490.869 4.839 50 10 JJGE CC(C)(NC(=O)c1cc(C2CC2)n2nc(C(C)(C)C)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867190324 NUSBIWFZGIPXBN-UHFFFAOYSA-N 476.606 4.624 50 10 JJGE O=S(=O)(c1ccc(Br)cc1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915170132 OHUXQBDYEMEDBV-SFHVURJKSA-N 473.230 4.814 50 10 JJGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C(=O)[C@H](Br)C1CCCC1 1955038584 PDUMIVDYRVLAPI-LJQANCHMSA-N 453.421 4.884 50 10 JJGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1csc(Br)c1Br 2042544293 CHCBOYJMVMGORS-BUVSBJAHSA-N 458.013 4.565 50 10 JJGE O=C(N[C@@H]1CC[C@@H]2C[C@@]21CBr)c1cc(Br)sc1Br 2068353909 GTAUMOMWUBIKSC-SLOVDRIHSA-N 458.013 4.567 50 10 JJGE C[C@H](Br)[C@H]1CCCN(C(=O)c2cccc(Br)c2Br)C1 2092332999 LWLOCGORDFWFSK-UWVGGRQHSA-N 454.000 4.847 50 10 JJGE CN(C[C@H]1CCC[C@@H]1Br)C(=O)c1cccc(Br)c1Br 2092334570 VUTIFXMTAAYNJS-KOLCDFICSA-N 454.000 4.847 50 10 JJGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)N1CCC[C@@H](CBr)C1 2123242819 BGCONDHMHBNEID-WMZOPIPTSA-N 457.459 4.663 50 10 JJGE CN([C@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccsc1CBr 2123284068 NAHFQIPJTPZHDM-MAUKXSAKSA-N 458.443 4.647 50 10 JJGE BrCc1ccc(N2CC[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)c(Br)c1 2129051253 GGMULXKBTGQRSU-LEWJYISDSA-N 480.244 4.824 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@@H]2C[C@H](Br)CC[C@H]21 2143979570 YBFWXCKFUQDSKQ-GLXFQSAKSA-N 468.560 4.723 50 10 JJGE O=C(N[C@H](CBr)CC1CCCC1)c1cc(I)ccc1F 2169661512 GTNHKOPAZLDQQV-LBPRGKRZSA-N 454.121 4.504 50 10 JJGE Cl[C@H](c1cc(I)sn1)c1cc2c(cc1Br)OCCCO2 2176540798 WTHHBFPOTYRTNE-ZDUSSCGKSA-N 486.556 5.000 50 10 JJGE C[C@@H](CO[C@H](CI)c1cccc(Br)c1)N1CCCCC1 2186731959 BRVXQUZRCOLILF-XJKSGUPXSA-N 452.174 4.816 50 10 JJGE C[C@H](CO[C@H](CI)c1ccccc1Br)N1CCCCC1 2186735881 PTEVLGLMTKPJAO-CZUORRHYSA-N 452.174 4.816 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 2218414558 TUWOTFORZPZEGZ-CEXWTWQISA-N 489.748 4.908 50 10 JJGE Cc1ccc(C(=O)N(CCBr)C2CCCCC2)cc1I 2232825872 HNCSNQPIEPVDNK-UHFFFAOYSA-N 450.158 4.769 50 10 JJGE COc1ccc([C@H](Br)c2cc(I)sn2)c2c1CCC2 2269111698 VEMZZJIXYVTSKD-AWEZNQCLSA-N 450.139 4.729 50 10 JJGE C[C@@H](Br)C[C@@H]1CCCCN1C(=O)c1c(F)cccc1I 2282806498 MPZLKXVPFRANCQ-MNOVXSKESA-N 454.121 4.599 50 10 JJGE N#CC(=Cc1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)NC1CCCC1 2296544549 ZTTSRUATRMLIFQ-UHFFFAOYSA-N 469.328 4.759 50 10 JJGE N#CCCn1cc(C=C(C#N)C(=O)Nc2ccccc2I)c2ccccc21 2296819074 RECFZLDNKHJHRC-UHFFFAOYSA-N 466.282 4.705 50 10 JJGE CC(=O)Nc1ccc(OCCOc2ccc(C=C(C#N)C(=O)Nc3ccc(F)cc3)cc2)cc1 2297347309 BBDKEASBIZDAJJ-UHFFFAOYSA-N 459.477 4.788 50 10 JJGE Cc1ccc(CN(C)C[C@H](Br)COCc2ccccc2)c(O)c1Br 2307477795 PYQOLRTYXOCNLP-KRWDZBQOSA-N 457.206 4.875 50 10 JJGE C[C@@]12CN(Cc3ccc(I)c(Br)c3)C[C@@]1(CBr)C2 2325220323 HOBUCSSWRXFKPK-KGLIPLIRSA-N 485.001 4.661 50 10 JJGE COc1ccc(CCN2C[C@@H](C(O)=C(C#N)c3nc(-c4ccccc4)cs3)CC2=O)cc1OC 2331304016 HHGPXKXNIINTBG-IBGZPJMESA-N 475.570 4.711 50 10 JJGE COc1ccnc(OCc2cc(I)ccc2Cl)c1CBr 2380354241 WHIDZYKDDZTARJ-UHFFFAOYSA-N 468.516 4.822 50 10 JJGE Cc1ccc([C@H](C(=O)NC2CCCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)CCl)cc1 3038868 FXKKDSQMOZENJZ-RUZDIDTESA-N 470.997 4.871 50 10 JJGE COc1ccc(Br)cc1/C=N/NC(=O)c1cccc(NC(=O)c2ccc(C)cc2)c1 3085920 HSJORKBGRZVUAQ-AFUMVMLFSA-N 466.335 4.782 50 10 JJGE O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cccc(OCCOc2ccccc2)c1 14040878 QONYWMFKDJDACD-UHFFFAOYSA-N 482.536 4.651 50 10 JJGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(F)c2)C1=O 38607617 RJHRULYABQXJNN-HYARGMPZSA-N 482.515 4.855 50 10 JJGE Cc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)c1 39858594 AEIFMWIXXUNYMA-VKAVYKQESA-N 456.889 4.994 50 10 JJGE CCCCOc1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3)c2[N+](=O)[O-])cc1 40619998 KXAGYMDWYHSOGR-UHFFFAOYSA-N 456.890 4.718 50 10 JJGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1/C(=N/NC(=O)c1ccccn1)CCC2 40814272 KCVZUGVBQOXWMA-MUFRIFMGSA-N 456.424 4.725 50 10 JJGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)cc1OCC 40890541 VAAQFVHSZOEVRU-XFSMVHDFSA-N 478.545 4.543 50 10 JJGE CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C(=O)N(C)C)c3ccccc3)c2C)cc1 97997963 DQCCBXMOSDWDCD-LMTOTAIGSA-N 471.557 4.773 50 10 JJGE Cc1ccc(-c2csc3ncn(CC(=O)/C(C#N)=C4/Nc5ccccc5S4)c(=O)c23)cc1 103908344 OMZQOTQGBHWKJK-JWGURIENSA-N 456.552 4.956 50 10 JJGE CCCCCCCOc1ccc(/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 214430340 VJPZSSBUNCKBQH-QJOMJCCJSA-N 452.551 4.581 50 10 JJGE O=C(NC[C@H]1CCCC[C@H]1Br)c1cc(Cl)ccc1I 236066519 CIAOZMJOCFWKAD-BXKDBHETSA-N 456.549 4.628 50 10 JJGE O=C(NN=Cc1ccccc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 254308855 MHHNYRVBDKEWQP-UHFFFAOYSA-N 469.566 4.846 50 10 JJGE CCOc1ccc(-c2cc(C(=O)NN=Cc3ccc(OC)c(OCc4ccccc4)c3)[nH]n2)cc1 254699943 SYGDEWGYTVCYMC-UHFFFAOYSA-N 470.529 4.827 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C)c(C)c3)cc2OC)cc1 254790681 HYAUOXKSJAVQHD-UHFFFAOYSA-N 490.556 4.849 50 10 JJGE ClCCc1nc2cc(I)ccc2n1Cc1cnn(Cc2ccccc2)c1 390373114 LGGIRGSKWTUBJM-UHFFFAOYSA-N 476.749 4.715 50 10 JJGE O=C(CBr)c1cc(I)cc(Br)c1C(F)(F)F 575695971 QLHWPXZSPKWENE-UHFFFAOYSA-N 471.836 4.650 50 10 JJGE C[C@@H]1CC[C@@H](CBr)CN1C(=O)c1cc(Br)ccc1Br 688703826 DHPHEKNFGOUWCY-ZJUUUORDSA-N 454.000 4.847 50 10 JJGE C[C@@]1(CCl)CCCN(C(=O)c2ccc(I)c(Br)c2)C1 721511509 SPYZOMOTUFYZRE-AWEZNQCLSA-N 456.549 4.535 50 10 JJGE O=C(N[C@H](CCBr)C1CCCCC1)c1ccccc1I 725037915 QYEFWFXWZPYZNN-OAHLLOKOSA-N 450.158 4.755 50 10 JJGE COc1c(Br)cc(C=NNC(=O)c2cc3ccccc3o2)cc1Br 1084071567 KJCSCTLEEROANI-UHFFFAOYSA-N 452.102 4.730 50 10 JJGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1 1084247877 MFSRNNMHPGEQQN-UHFFFAOYSA-N 465.937 4.715 50 10 JJGE C=CCC[C@@H](NC(=O)NNC(=O)c1cccc(OC(F)F)c1)c1ccc(C(F)(F)F)cc1 1685817104 GWOSINLXOUEMGB-QGZVFWFLSA-N 457.399 4.958 50 10 JJGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772744401 CZMXDADOJNNVTD-UHFFFAOYSA-N 455.470 4.531 50 10 JJGE Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747030 CFEXKQNBVZCFPQ-UHFFFAOYSA-N 494.935 4.892 50 10 JJGE CSCC[C@@H](NC(=O)c1nc(C(C)(C)C)n2ccccc12)C(=O)Nc1ccc(SC#N)cc1 1866876623 XCKPTRUKHPIJLA-GOSISDBHSA-N 481.647 4.695 50 10 JJGE CC(=O)CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)CC1 1868414243 KWNGSAKKWHSZIY-UHFFFAOYSA-N 479.009 4.825 50 10 JJGE COc1cc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc(OC)c1OC 1872749923 NZEKTMOHDDVNAA-MNDPQUGUSA-N 483.521 4.506 50 10 JJGE C[C@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)CC1=O 1872752914 YSXRJDODJQFSKW-YPTMZGJPSA-N 459.527 4.941 50 10 JJGE C[C@@H](Br)[C@H](NC(=O)c1cccc(Br)c1Br)C(F)(F)F 1882640659 VNIIASSYUABOOV-ANLVUFKYSA-N 467.905 4.656 50 10 JJGE O=C(c1cc(I)ccc1Br)N1C[C@H](CCl)C2(CCC2)C1 1914490666 BLVFOIGIHQIJBE-JTQLQIEISA-N 468.560 4.535 50 10 JJGE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)NC[C@H]2C[C@H](Br)C2)c1 2020168711 JSDVYJGRCDYNQZ-XYPYZODXSA-N 462.182 4.699 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC[C@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2022140073 BRLUQBYJTUQPRJ-JOCHJYFZSA-N 477.737 4.908 50 10 JJGE CC[C@H](C)[C@H](CI)NC(=O)c1csc(Br)c1Br 2023034636 XMCIOHKIWFBQGO-XPUUQOCRSA-N 495.018 4.853 50 10 JJGE CC1(C)CC(CBr)(NC(=O)c2scc(Br)c2Br)C1 2045119866 NRYVVWXZSFTIDW-UHFFFAOYSA-N 460.029 4.957 50 10 JJGE CCN(C[C@@](C)(CI)O[C@H]1CCOC2(CCC2)C1)C(=O)OC(C)(C)C 2076741004 LXGMSIBUNSCQSZ-MAUKXSAKSA-N 467.388 4.555 50 10 JJGE CC1CC(CBr)(N(C)C(=O)c2ccc(I)c(Cl)c2)C1 2108306982 RLFVQCYEFYJWMH-UHFFFAOYSA-N 456.549 4.580 50 10 JJGE O=C(NCC1(CCl)CCCCC1)c1ccc(Br)cc1I 2207268143 JUTBDLKEBXJIAO-UHFFFAOYSA-N 470.576 4.973 50 10 JJGE COC(=O)c1ccsc1NC(=O)C(C#N)=Cc1ccc(OC(=O)c2ccc(Cl)cc2)c(OC)c1 2295669862 BQAQRSXLDZTQGB-UHFFFAOYSA-N 496.928 4.962 50 10 JJGE N#CC(=Cc1cn(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc12)c1nc2ccccc2[nH]1 2297369154 OHNDQVHCJCBSGO-UHFFFAOYSA-N 461.481 4.949 50 10 JJGE CCOc1ccc(C=CC(=O)NNC(=O)c2ccc(-c3ccc(CC)cc3)nc2C)cc1OC 2321139465 IACWEZFVOSNIPD-UHFFFAOYSA-N 459.546 4.501 50 10 JJGE COc1ccc(C=NNC(=O)c2sc(=N)[nH]c2C)cc1OCc1ccc(Cl)cc1Cl 2321664273 JKFIJLMIBVYUGS-UHFFFAOYSA-N 465.362 4.522 50 10 JJGE Cc1ccc(S(=O)(=O)NCC(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 2331265976 JYYQQRWEEKNAIF-UHFFFAOYSA-N 490.404 4.652 50 10 JJGE CC[C@]1(C)[C@H](Cl)CCN1C(=O)c1cc(I)ccc1Br 2336762281 QEKIZUZJVPQQHX-TZMCWYRMSA-N 456.549 4.676 50 10 JJGE CCN(C[C@@](C)(CBr)OCc1cc(F)c(OC)c(F)c1)C(=O)OC(C)(C)C 2363445805 XPKGYVXWGONOHO-LJQANCHMSA-N 452.336 4.901 50 10 JJGE Cc1nsc(Br)c1-n1c(CCCl)nc2cc(I)ccc21 2380352784 XTMFJKWEXQXNGL-UHFFFAOYSA-N 482.572 4.939 50 10 JJGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)CC)cc1 14648273 UFKCEYYDZMCJTR-UHFFFAOYSA-N 490.398 4.832 50 10 JJGE COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1OS(=O)(=O)c1ccccc1 33932289 CSKBIZISCZHGHQ-ATVHPVEESA-N 468.918 4.662 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@@H]1c1c(F)cccc1Cl 38680756 HLFSPJFINXECDM-FQEVSTJZSA-N 465.824 4.825 50 10 JJGE Cc1ccc(OCCCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)c(C)c1 40935240 ANTRNPBMAKNYBP-CJLVFECKSA-N 458.514 4.884 50 10 JJGE CC(C)Cc1ccc([C@@H](C)C(=O)N/N=C2\C(=O)N(CCOc3ccccc3)c3ccccc32)cc1 59148814 HTNOFXSXAVPGIW-QZUCFVSGSA-N 469.585 4.935 50 10 JJGE CCc1ccc(OCC(=O)NNC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)c(Br)c1 66199331 KSWUZIUDKRPWSA-INIZCTEOSA-N 461.400 4.540 50 10 JJGE COc1ccc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)c(Br)c1O 169891219 UICFPOGTCXRDBB-RQSOKRQSSA-N 456.340 4.533 50 10 JJGE CCOc1ccc(/C=C(/C#N)C(=O)N(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1OC 207130612 FVBRJEIMDHOKAE-PGMHBOJBSA-N 476.554 4.731 50 10 JJGE O=C(CCC(=O)NN=Cc1c(OCc2ccccc2)ccc2ccccc12)NCc1ccccc1 254530192 DJWQPXNQIMHQTA-UHFFFAOYSA-N 465.553 4.966 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(CC)cc3)cc2OC)cc1 254711038 UJUZWLNKCIZFMD-UHFFFAOYSA-N 490.556 4.795 50 10 JJGE Brc1cnc([C@H]2CCC[C@@H](CI)O2)c(Br)c1 309476835 VELWWXRYKGPXOR-WCBMZHEXSA-N 460.935 4.652 50 10 JJGE O=S1(=O)CCCC[C@@H]1[C@@H](Br)c1scc(C(F)(F)F)c1Br 380120943 KUMDEOWUQWZOPO-VXNVDRBHSA-N 456.143 4.933 50 10 JJGE Cc1cc(F)ccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382722440 OCGCCFAGJJAKJI-QFBILLFUSA-N 453.295 4.921 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccc(Br)cc2)C1 394679403 WZOVLBKTMVVZGN-JSGCOSHPSA-N 466.157 4.835 50 10 JJGE C[C@H](CBr)[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 696801666 BFZQIMGAGWNMEQ-SCZZXKLOSA-N 465.660 4.738 50 10 JJGE C[C@@H]1CCCN(C(=O)c2ccc(I)c(Br)c2)[C@H]1CCl 721508367 ILWUBDILZPCQTG-RNCFNFMXSA-N 456.549 4.533 50 10 JJGE Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)C3(c4ccccc4F)CCCC3)cc2)cc1 929085749 CVESGSILLPCTGP-UHFFFAOYSA-N 452.551 4.922 50 10 JJGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)c(Br)c(Br)c1O 1083960960 XUEQYMNXDAAZMX-UHFFFAOYSA-N 482.128 4.826 50 10 JJGE CC(=NNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)C(C)(C)C 1084146386 ZSXQYIYDXUQHPN-UHFFFAOYSA-N 456.395 4.727 50 10 JJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OC(C)C)cc2)c2cc(C)cc(C)c2)cc1 1084276265 MEPJWJQYNSBXRQ-UHFFFAOYSA-N 493.629 4.745 50 10 JJGE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 1472473229 MLOCLMDBGDUCDV-MDJJKAFGSA-N 458.436 4.757 50 10 JJGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)c1 1865689725 CZAZUKTYBFUDQC-SFHVURJKSA-N 458.415 4.706 50 10 JJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)sc(C(=O)OC(C)C)c1C 1866128209 COJZEMQIBNGIPI-XNTDXEJSSA-N 460.939 4.998 50 10 JJGE COc1ccc([C@H](C(=O)N[C@@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866986759 PXXKGEWADGIJPX-FCHUYYIVSA-N 471.648 4.885 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H]2C[C@@H](Br)C[C@H]1C2 2032959040 RRIPSLOFCQYITH-XLPZGREQSA-N 458.013 4.661 50 10 JJGE O=S1(=O)C[C@@H]2[C@H]([C@@H](Br)c3c(Cl)sc(Br)c3Cl)[C@@H]2C1 2054228753 ZLAXYJMGNGEUPT-LPWFLVPJSA-N 455.020 4.544 50 10 JJGE CC1(C)C[C@H](CBr)CN1C(=O)c1csc(Br)c1Br 2064388846 LQOXMQTXYWWDRO-SSDOTTSWSA-N 460.029 4.909 50 10 JJGE C[C@@H](Br)[C@@H](NCc1cc(Cl)ccc1I)C(F)(F)F 2074728828 BJFJSPDYJVNNIN-LHLIQPBNSA-N 456.471 4.749 50 10 JJGE CC[C@H](C)[C@@H](CBr)NC(=O)c1cc(I)ccc1Br 2081235713 JFCLACMXWGDMMQ-QPUJVOFHSA-N 488.989 4.593 50 10 JJGE C[C@H]1CCCN(C(=O)c2ccc(Br)cc2I)[C@@H]1CCl 2142289443 QHIDCDJWOZKUSP-TVQRCGJNSA-N 456.549 4.533 50 10 JJGE CC(C)(C)OC(=O)N[C@@H]1CN(C[C@@H](CBr)c2ccccc2)C[C@@H]1C(F)(F)F 2163058050 HHQWNHYPANCEDV-OWCLPIDISA-N 451.327 4.553 50 10 JJGE C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2179831051 RTQYIUDZADIGCC-CQSZACIVSA-N 492.266 4.783 50 10 JJGE O=C(c1c(Br)cccc1Br)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Br)C2 2190669315 BMUGAVHDJXFDHD-RINBACNTSA-N 469.974 4.690 50 10 JJGE O=S(=O)(c1ccc(F)c(Br)c1)N(CCCBr)Cc1ccccc1 2212710682 XZIDGDKPPJXCNA-UHFFFAOYSA-N 465.182 4.564 50 10 JJGE Cc1cc(Br)c([C@H](Br)C2COCCOC2)c(C)c1Br 2227360379 RNRPMCZETYYWGL-CQSZACIVSA-N 457.000 4.927 50 10 JJGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@H]1CCn2ncnc2C1 2233981509 JLHJXIHQANONJC-CPFSXVBKSA-N 467.962 4.641 50 10 JJGE Cc1c(Br)cccc1CO[C@](C)(CI)CNC(=O)OC(C)(C)C 2243594798 USBCNWFXMNQSBT-QGZVFWFLSA-N 498.199 4.993 50 10 JJGE CC(C)(C)C[C@@H](CBr)CNC(=O)c1c(F)cccc1I 2282779607 DOBFMXIRJDRSLL-JTQLQIEISA-N 456.137 4.607 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2cccnc2)cc1 2296728752 MTWCYQLLNQMTGN-UHFFFAOYSA-N 463.541 4.946 50 10 JJGE Cc1c(Br)cc(NCC(=O)NN=CC=Cc2ccccc2)cc1Br 2296734206 YBOFKRUVYRKZJC-UHFFFAOYSA-N 451.162 4.747 50 10 JJGE COC(=O)C(C#N)=Cc1cccc(OC(=O)COc2cc(C)c(Br)cc2C(C)C)c1 2314770530 GVPZUSIRYLEZBV-UHFFFAOYSA-N 472.335 4.945 50 10 JJGE COc1cc(C=NNC(=O)Nc2ccc(Cl)cc2)cc([N+](=O)[O-])c1OCc1ccccc1 2323831982 YJOUSHNXMZANDE-UHFFFAOYSA-N 454.870 4.991 50 10 JJGE C[C@@H](NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 2324599239 ZNDPYGSVDSSLAK-HSZRJFAPSA-N 450.586 4.678 50 10 JJGE CC[C@]1(C)[C@@H](Br)CCN1C(=O)c1cc(Br)ccc1Br 2336760950 DOYNZXFZFOZJQW-GXTWGEPZSA-N 454.000 4.990 50 10 JJGE Cc1nn(C)c(OCc2cc(Br)cc(Br)c2)c1CBr 2337069512 PWBZSZXTWZCOND-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)COc1ccc(Br)cc1C 10683654 QCUFRUJSFFBXHV-HNAYVOBHSA-N 477.399 4.655 50 10 JJGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1ccccc1OCc1ccccc1 14030735 NJWVTPWOXHIHDE-UHFFFAOYSA-N 489.753 4.522 50 10 JJGE O=C(NC1CCCCC1)[C@@H](c1ccc(Cl)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)CCl 34876105 ODVZOGNJGHFSOK-HSZRJFAPSA-N 477.388 4.826 50 10 JJGE O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)[C@@H]1CC1(c1ccccc1)c1ccccc1 35113036 FRYBIOZEBCJIKX-CPUXBYDOSA-N 480.318 4.519 50 10 JJGE Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)cc1 39850260 HSDGOCHFLKBROC-BUVRLJJBSA-N 483.549 4.957 50 10 JJGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1ccco1 58988793 IAIFDIVMQBTEOD-LGUFXXKBSA-N 459.575 4.668 50 10 JJGE CCc1ccc(/C=N\NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 59377016 GVPKOEJCKRBVLK-YSMPRRRNSA-N 490.412 4.901 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OCCOc1cc(C)ccc1C 96515542 IEONFBURQIYUFF-JCMHNJIXSA-N 460.530 4.976 50 10 JJGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(C)c(C)c1 101241927 QQBKOOJHVUMLEG-GHIWRQRASA-N 451.979 4.685 50 10 JJGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242300 FONUKJKVKOKBKK-CKVBZJJFSA-N 493.972 4.684 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CCC[C@H](CCCl)C1 236012521 KODKUZJLZIOAMG-SNVBAGLBSA-N 456.549 4.535 50 10 JJGE COc1cc(C(C)=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)ccc1O 254306381 GHJXAJQQPIQQCC-UHFFFAOYSA-N 487.585 4.589 50 10 JJGE CC(=NNC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)c1ccc(C)cc1 254489082 PFOXFLLKQRZQHP-UHFFFAOYSA-N 486.557 4.783 50 10 JJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3)cc2OC)cc1 254497626 LKKLFKALXOFEMK-UHFFFAOYSA-N 476.529 4.622 50 10 JJGE O=C(NN=Cc1ccccc1OCc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 254847229 YKNLPZPXXUMUQU-UHFFFAOYSA-N 485.565 4.830 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2C[C@@H](Br)CC[C@H]2C1 398749494 VIEGCIRUVCNQLD-WCQGTBRESA-N 466.011 4.847 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CCC(CCBr)CC1 400976692 SEUYHJANPKNNGS-UHFFFAOYSA-N 460.029 4.910 50 10 JJGE CN(C(=O)c1cc(I)ccc1Br)C(C)(C)CCBr 688398432 TWRPTTSGGGNAKH-UHFFFAOYSA-N 488.989 4.689 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)N(CCC#N)c2ccccc2)c(C)n1-c1ccc(F)cc1 786605306 GMAYNYNAFXIQKB-JWGURIENSA-N 470.504 4.630 50 10 JJGE O=C(CN(Cc1ccccc1)Cc1ccccc1)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21 1084557328 GKJCCAUEUXWJLE-UHFFFAOYSA-N 488.591 4.756 50 10 JJGE CCOc1cc(C=NNC(=O)COc2ccccc2Br)ccc1OC(=O)c1ccccc1 1772719624 GGKRKCUWYNJGDG-UHFFFAOYSA-N 497.345 4.596 50 10 JJGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743701 JLSZOTWGVPXZST-UHFFFAOYSA-N 493.947 4.775 50 10 JJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1 1865694089 PFWNXOJCTRYKIG-OAQYLSRUSA-N 465.351 4.950 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@@H](Br)C12CCC2 1914447083 HCURZIQZNWFEJN-GFCCVEGCSA-N 451.984 4.744 50 10 JJGE C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NN=CC=C2N(C)c3ccccc3C2(C)C)cc1 2040453906 TVDOBZZYSYKFFL-OYRHEFFESA-N 488.632 4.882 50 10 JJGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(F)cc1F 2057403916 KOUGTUIPHOWDQC-GFCCVEGCSA-N 452.748 4.983 50 10 JJGE CC(F)(F)C[C@H](CBr)NC(=O)c1cccc(Br)c1Br 2113232272 BHFBBUFNLUGRGW-SSDOTTSWSA-N 463.942 4.750 50 10 JJGE Cc1[nH]nc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)c2cccs2)c1CBr 2123231433 DSYRVBWPQPVKIE-AWEZNQCLSA-N 454.415 4.627 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1ccc(Cl)c(I)c1 2283668751 ZSJQSOUBRSFHEZ-GEEFMHANSA-N 468.560 4.627 50 10 JJGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=CC=Cc1ccccc1 2313587823 LGJWXVFVZHPQJI-UHFFFAOYSA-N 467.598 4.960 50 10 JJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(F)cc1 2314522517 MHVCOTHOPQIDNH-UHFFFAOYSA-N 487.512 4.788 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 2314753258 QPEGNVMJYUGZNX-UHFFFAOYSA-N 495.875 4.682 50 10 JJGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)c1cc2cc(Br)ccc2o1 2314792585 ZDFFWJWUVKIZAG-UHFFFAOYSA-N 483.318 4.855 50 10 JJGE Cc1sc2nc(SCC(=O)NN=Cc3cccc([N+](=O)[O-])c3)nc(O)c2c1-c1ccccc1 2320486471 ZDEQZIAWOSGOGA-UHFFFAOYSA-N 479.543 4.523 50 10 JJGE Brc1cc(CN2C[C@H]3CC[C@H](Br)[C@H]3C2)ccc1I 2325226974 VQWNMVIAJCTJIF-WOPDTQHZSA-N 485.001 4.659 50 10 JJGE CC(C)[C@H]1C[C@H](Br)CN1C(=O)c1cc(Cl)ccc1I 2344616303 XAZLKDSANBMNPJ-TVQRCGJNSA-N 456.549 4.579 50 10 JJGE COC[C@@H](C)OC[C@@H](Br)CCc1cc(I)ccc1Cl 2352415990 PDEUAEOPRBNERJ-PWSUYJOCSA-N 461.565 4.692 50 10 JJGE Cc1ccc(C(=O)NCC(C)(C)[C@@H](Br)C(C)C)cc1I 2365868968 TYNDGAQULRNWTM-AWEZNQCLSA-N 452.174 4.775 50 10 JJGE FC(F)(F)[C@H]1CN(Cc2cc(I)ccc2Cl)C[C@@H]1CBr 2380508719 IFBPZHPMXOUYBC-ONGXEEELSA-N 482.509 4.950 50 10 JJGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccccc3)c(Oc3ccccc3Cl)nc12 33370050 WUCUQFIAUFELPY-JXAWBTAJSA-N 477.929 4.787 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)c1 38650126 DZJNAHNFFKNSTL-QFIPXVFZSA-N 477.314 4.895 50 10 JJGE O=C(NNc1ncnc(N2CCCc3ccccc32)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40647550 HOPOZGSAGBHKQW-UHFFFAOYSA-N 480.528 4.744 50 10 JJGE Cc1ccc(OCCCC(=O)N/N=C/c2ccc(Br)cc2)c(Br)c1 40951098 KNJBNTIKDRXVDO-CIAFOILYSA-N 454.162 4.829 50 10 JJGE COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1COc1cc(F)ccc1[N+](=O)[O-] 58976417 VRLILUJQWARTQD-UDWIEESQSA-N 468.462 4.660 50 10 JJGE CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 102976077 SQQCYHCTBYGNLX-HDAKKWKLSA-N 466.777 4.819 50 10 JJGE C[C@H](Br)C1CCN(C(=O)c2cc(Cl)ccc2I)CC1 235461237 IDCPWZYGDQODRR-VIFPVBQESA-N 456.549 4.580 50 10 JJGE FC(F)(F)C(F)(F)[C@@H](Br)c1cc(I)cc2c1OCC2 311368449 HOQKKAFMFLGAIR-VIFPVBQESA-N 456.974 4.860 50 10 JJGE C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(c1cc(CBr)sc1[N+](=O)[O-])C2 705961909 ISUMXEQVARIQRK-PMACEKPBSA-N 450.402 4.900 50 10 JJGE CCC[C@@H](CCBr)NC(=O)c1cc(Br)ccc1I 716853311 CDFVOHACQMNKNH-JTQLQIEISA-N 488.989 4.737 50 10 JJGE C[C@H](Cl)C1CCN(C(=O)c2ccc(I)c(Br)c2)CC1 721622389 RLWOOBOTUSKTGW-VIFPVBQESA-N 456.549 4.533 50 10 JJGE O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)NNC(=O)c1ccc(COc2ccccc2)o1 1087357990 YXPACOBGUKUZMV-WADIDORASA-N 487.394 4.744 50 10 JJGE C=CC[C@@]1(C(=O)NNc2ccc(Cl)cc2Br)CCCN1C(=O)OC(C)(C)C 1557669682 JQYLIGNZAFHWJU-IBGZPJMESA-N 458.784 4.891 50 10 JJGE O=C(COc1ccc(Br)cc1)NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 1772752481 TWIBGJUDSZVBDK-UHFFFAOYSA-N 498.764 4.549 50 10 JJGE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)ccc1O 1865695322 BLQLQGVMWCHTNG-IBGZPJMESA-N 465.351 4.892 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)cc1OC 1865695551 PUVSECBPYGMYOL-DEOSSOPVSA-N 458.562 4.736 50 10 JJGE CC(C)C[C@@H](C(=O)NCCCl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865899516 KEKONTCUGLMXTP-ZETCQYMHSA-N 460.572 4.666 50 10 JJGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3ccc4oc(O)nc4c3)CC2)n1 1868388639 MNPIYPVXRYEQST-UHFFFAOYSA-N 487.589 4.919 50 10 JJGE Cc1sc(Br)cc1C(=O)N[C@@H](CCBr)COCc1ccccc1 1902789938 CSHODRJIARJJQI-AWEZNQCLSA-N 461.219 4.919 50 10 JJGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(Br)cs1 1915070015 QXVOUGSGORVBJX-CYBMUJFWSA-N 467.248 4.875 50 10 JJGE CCN(C[C@@](C)(CI)OCc1cscc1F)C(=O)OC(C)(C)C 1993541918 MNLBTQLKPXEASY-MRXNPFEDSA-N 457.349 4.855 50 10 JJGE O=C(N[C@@H]1CCCC[C@@H]1CBr)c1csc(Br)c1Br 2032953386 IKQRMOVKWWJISW-VXNVDRBHSA-N 460.029 4.957 50 10 JJGE CCOc1cc(C=C(C#N)C(N)=O)cc(I)c1OCc1cccc2ccccc12 2053622709 LQQOJWOTXKASEB-UHFFFAOYSA-N 498.320 4.814 50 10 JJGE Cc1c(F)cc(F)cc1Cn1nc(CCl)c(I)c1C(F)(F)F 2079211478 SHBHADIUIMPESR-UHFFFAOYSA-N 450.576 4.880 50 10 JJGE CC[C@@H](C)[C@H](CI)NC(=O)c1cc(Br)cc(Br)c1 2081236877 SYIMHSBBEPPGMU-PELKAZGASA-N 488.989 4.791 50 10 JJGE C[C@H](Br)C[C@@H]1COCCN1Cc1cccc(Br)c1Br 2128859853 RSGGCLVQDPDNMC-CMPLNLGQSA-N 456.016 4.586 50 10 JJGE Brc1cnc(N2CC[C@@H]3CC[C@@H](Br)C[C@@H]3C2)c(Br)c1 2139254603 OREIQULLGIZPHK-HBNTYKKESA-N 453.016 4.997 50 10 JJGE COc1c(C)cc(Br)cc1[C@H](Br)c1nn(C)cc1Br 2141620275 GSZNRRDMDNOMPK-NSHDSACASA-N 452.972 4.746 50 10 JJGE O=C(NC[C@@H]1C[C@H](Cl)C12CCC2)c1cc(Br)ccc1I 2172230978 GPJABYANLUQURX-ZANVPECISA-N 468.560 4.581 50 10 JJGE C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(CBr)c2)[C@@H](C)CN1Cc1ccccc1 2179787236 LWWMVSYCBHHIEN-HOTGVXAUSA-N 471.848 4.518 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1[C@H]2CC[C@@H](Br)[C@H]1CC2 2229866863 ZCTWNDZRXIKPIU-ZWKOPEQDSA-N 451.984 4.742 50 10 JJGE O=C(N[C@H](CBr)c1ccccc1)c1ccc(Cl)c(I)c1 2283654481 COSIGJGKXAHNQH-CQSZACIVSA-N 464.528 4.811 50 10 JJGE C[C@H]1CN(C(=O)c2ccc(Cl)c(I)c2)CC[C@H]1CCBr 2283663291 FVQYFUZQUYIMNO-WDEREUQCSA-N 470.576 4.828 50 10 JJGE Cc1cccc(C(=O)N(CCBr)CCC(C)(C)C)c1I 2289873003 YVWXRCYXAJEANM-UHFFFAOYSA-N 452.174 4.873 50 10 JJGE N#CC(=Cc1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2297551844 REBMZHPUSFUFEG-UHFFFAOYSA-N 483.549 4.612 50 10 JJGE COc1cc(C=NNC(=O)Cc2ccc(Br)c3ccccc23)cc(Br)c1O 2297604866 RNFRICBODHAVQJ-UHFFFAOYSA-N 492.167 4.772 50 10 JJGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1 2314618032 GCHIJQDPILZTKX-UHFFFAOYSA-N 498.608 4.890 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccccc2C)c(OC)c1 2314785980 YNILXIMNZCBQMX-UHFFFAOYSA-N 450.535 4.592 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H](C)S(C)(=O)=O 2317428026 CHLKQUXIBUVBHC-MUWHJKNJSA-N 466.992 4.528 50 10 JJGE COC[C@H](C)OC[C@@H](Br)CCc1ccc(Cl)cc1I 2341041538 LFXYSESWNWFFFZ-JQWIXIFHSA-N 461.565 4.692 50 10 JJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2ccc(Cl)c(I)c2)[C@@H]1C 2344521211 SQSRARMQTRBPCK-NGZCFLSTSA-N 456.549 4.579 50 10 JJGE C[C@H]1CCCN(C(=O)c2ccc(Cl)cc2I)[C@@H]1CCBr 2365592703 PHOCIGCHPYDLKH-IINYFYTJSA-N 470.576 4.970 50 10 JJGE O=C(COc1ccc2ccccc2c1Br)N/N=C/c1cc(Br)ccc1O 12575726 TVGMROXSHPRCSA-LSHDLFTRSA-N 478.140 4.600 50 10 JJGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 14643086 YPGSXQLTUOINSC-GOSISDBHSA-N 481.390 4.813 50 10 JJGE CC[C@@H](C)c1ccc(OCC(=O)N/N=C(/S)NC(=O)/C=C\c2cccc3ccccc23)cc1 33564174 WLNDRKYPGHSIDM-BBLCHGJFSA-N 461.587 4.879 50 10 JJGE CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 35446054 MPJTUPCGYASHDB-KGENOOAVSA-N 452.489 4.910 50 10 JJGE CC1=C(C(=O)OC(C)C)[C@H](c2cccc(NC(=O)[C@H](Cl)c3ccccc3)c2)NC(=O)N1C 35707609 CCCFPMSDKMHRJV-RTWAWAEBSA-N 455.942 4.527 50 10 JJGE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)C(=O)Nc1ccc(C)c(C)c1 39858826 NAGBMRQSAQUTFZ-CYVLTUHYSA-N 466.497 4.658 50 10 JJGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)c1 40812167 TYZXSZIJOWKHBW-LHLOQNFPSA-N 461.474 4.803 50 10 JJGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1 58889784 HRZDITZNZROXPM-VPZZRGLESA-N 452.938 4.892 50 10 JJGE CC(C)C[C@@H](CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 136935260 GQDLKCGBKHADGV-VIFPVBQESA-N 468.038 4.844 50 10 JJGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 209901054 LHWSUDDWRCUCSM-VBKFSLOCSA-N 450.417 4.699 50 10 JJGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C1=O 214256461 HFEFLLOYWUHBOW-NLKUQUHMSA-N 494.551 4.701 50 10 JJGE C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(Cl)cc1 252598714 DCNVGHQCQGTBCC-QGZVFWFLSA-N 469.014 4.669 50 10 JJGE Cc1cc(C(C)C)ccc1OCC(=O)NN=Cc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254816396 NLAJENCZMHOXAO-UHFFFAOYSA-N 475.501 4.775 50 10 JJGE Fc1cnc2c(c1)nc(CCl)n2-c1ccc(I)c(Br)c1 400290012 KWJCXHFJWSHSHH-UHFFFAOYSA-N 466.479 4.666 50 10 JJGE C[C@@](CI)(OCCOCC1CCC1)c1ccccc1Br 400686058 YYYWOTPUYJHSDV-INIZCTEOSA-N 453.158 4.933 50 10 JJGE COc1ccc(OCCNC(=O)c2cccc(NC(=O)Nc3ccc(SC#N)cc3)c2)cc1 586700185 GCYFSZNAORJYLM-UHFFFAOYSA-N 462.531 4.721 50 10 JJGE CCN(C[C@H](C)Br)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 691375135 XUKKYDQXKLIHOI-ZETCQYMHSA-N 454.011 4.550 50 10 JJGE COC[C@H](CC(CBr)(CBr)c1ccc(Br)cc1)OC 709864695 IFQAEIXDJUXQEP-ZDUSSCGKSA-N 459.016 4.528 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CCCC[C@H]1CCCl 721614382 ATUMXPBQACPAJV-NSHDSACASA-N 456.549 4.677 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)OCc2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)n1 782094161 DELMXWDZWLKUKH-PDGQHHTCSA-N 461.865 4.676 50 10 JJGE COc1cc(C=NNC(=O)Cc2cccc3ccccc23)ccc1OCc1cccc(C(=O)O)c1 1084206920 LSOVVZMHNKHAIL-UHFFFAOYSA-N 468.509 4.818 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)c1OC 1865700971 IPSYRSLPUXPLLY-QHCPKHFHSA-N 482.515 4.973 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccccc1C(=O)O 1865704017 KXDGCABGRDFOEO-MRXNPFEDSA-N 474.826 4.520 50 10 JJGE CCC[C@H](NC(=O)[C@@H](Cc1ccncc1)c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866704613 YXVBEACYGLZFEF-ZEQRLZLVSA-N 458.587 4.905 50 10 JJGE CCCC[C@@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1F)C(=O)Nc1ccc(SC#N)cc1 1866918809 MZZIBZBEDKLDMS-PKTZIBPZSA-N 468.598 4.677 50 10 JJGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1nn(C)c(Cl)c1Br 1979584657 JSBUKAIZBIZELD-GFCCVEGCSA-N 463.601 4.652 50 10 JJGE O=C(c1csc(Br)c1Br)N1CCS[C@H](CCBr)C1 2032959283 ZAEPRMIPCZQGNE-SSDOTTSWSA-N 478.069 4.616 50 10 JJGE O=C(N[C@@H]1CCC[C@@H](CBr)C1)c1c(Br)cccc1Br 2094089340 VVRYGAPGCIZGCW-NXEZZACHSA-N 454.000 4.895 50 10 JJGE CC(C)[C@@H]1[C@H](Br)CCN1C(=O)c1cccc(Br)c1Br 2126093574 OCSLEMDRFNDOKD-DGCLKSJQSA-N 454.000 4.846 50 10 JJGE C[C@@]1(CCCl)CCN(C(=O)c2cc(Br)ccc2I)C1 2131916999 SDDAFEGXEAZQCU-CQSZACIVSA-N 456.549 4.535 50 10 JJGE O=S1(=O)CCc2cc([C@H](Br)c3sc(Cl)cc3Br)ccc21 2170070761 QWKKOUSUASNLHY-LBPRGKRZSA-N 456.608 4.978 50 10 JJGE CC(C)(C)OC(=O)NC1CC(C[S@](C)(=O)=NC[C@H](CBr)c2ccccc2)C1 2172246801 KLPGWEQGGPAVKT-XLNVUUPNSA-N 459.450 4.566 50 10 JJGE Clc1cc(CN2CCC(COCCBr)CC2)ccc1I 2208037668 YPKZDXSFYFWDBV-UHFFFAOYSA-N 472.592 4.568 50 10 JJGE CN(C(=O)c1cc(Br)ccc1I)[C@H](CCl)CC1CC1 2226157460 RUMFSHKRWBYOEU-NSHDSACASA-N 456.549 4.533 50 10 JJGE COCC12CC([C@H](Br)c3cc(Br)c(Br)cc3F)(CO1)C2 2233977505 VNXVPHRURFNZMH-IYXRBSQSSA-N 472.974 4.982 50 10 JJGE C[C@@]1(CNC(=O)c2cc(Br)c(Br)s2)CCC[C@@H]1Br 2258798170 ZKRODFFCEQXTRS-CABZTGNLSA-N 460.029 4.957 50 10 JJGE C[C@]1(CNC(=O)c2cccc(Br)c2Br)CCC[C@H]1Br 2271300160 IPRGILBBYSBBTF-BXUZGUMPSA-N 454.000 4.895 50 10 JJGE C[C@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@@H](C)[C@@H]1Br 2295317736 QQXOPPZKKQACMT-RTUWITSCSA-N 468.027 4.632 50 10 JJGE CCOC(=O)c1sc(NC(=O)C(C#N)=Cc2cccc(Br)c2)c(C(=O)OCC)c1C 2329699363 KOQZIIXGZSKAGC-UHFFFAOYSA-N 491.363 4.718 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1OCCO[C@@H]1C 2339650462 GJISENSPPKUFSM-BITCUVMXSA-N 460.963 4.899 50 10 JJGE F[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(Cl)cc1I 2341014505 YURHRWCROHMUSQ-OXHZDVMGSA-N 458.540 4.783 50 10 JJGE COc1cc(OC)cc(OCc2cc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)ccc2OC)c1 33790550 ZQZXFRHHTZUPHS-RUZDIDTESA-N 490.556 4.742 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)c(OC)c1 38657204 DOKBQDPRRUVSAX-RUZDIDTESA-N 476.916 4.723 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-])c1ccc(Cl)cc1 40591503 FMCPMYDQPARXCX-UHFFFAOYSA-N 453.673 4.846 50 10 JJGE CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1OC 40911792 MRURPUBXXHHCNM-LSFURLLWSA-N 476.154 4.692 50 10 JJGE O=C(N/N=C/c1c(O)ccc2ccccc12)[C@@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59202472 ODHVFQMUWUHFOU-LZKBWWOWSA-N 472.423 4.592 50 10 JJGE O=C(CCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1cc(Cl)cc(Cl)c1O 59516461 XAYJVAPQZKZTIR-YCPBAFNGSA-N 479.242 4.968 50 10 JJGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 101334664 ZGUYIVNJLRYVMD-YDZHTSKRSA-N 481.512 4.696 50 10 JJGE COc1cc(/C=N\NC(=O)c2ccc(O)cc2)cc(Br)c1OCc1ccccc1 169886420 VOLZATPPMRROJG-CFRMEGHHSA-N 455.308 4.506 50 10 JJGE O=C(N[C@@H]1CCCC[C@H]1CBr)c1ccc(I)c(Cl)c1 231612740 VRAJGUTZJVRMMI-GXFFZTMASA-N 456.549 4.628 50 10 JJGE CN(C)c1cccc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 243491468 NQCHOCKUUYBUCE-UHFFFAOYSA-N 465.601 4.506 50 10 JJGE Cc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1cccc(Br)c1 1084415645 XPSYHNZCZWAOTF-JOCHJYFZSA-N 454.368 4.821 50 10 JJGE O=C(NN=Cc1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(CN2CCOCC2)cc1 1084506021 UDLAASUHFCUQMO-UHFFFAOYSA-N 463.965 4.515 50 10 JJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)c1 1865692910 PZBNBHATUJJAPP-HXUWFJFHSA-N 484.478 4.802 50 10 JJGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)cc1OC 1865696550 HGAGTUMMZCLYDN-IBGZPJMESA-N 495.377 4.958 50 10 JJGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706416 WGAYBLLFQVVONP-IBGZPJMESA-N 470.316 4.927 50 10 JJGE CC[C@@](C)(NC(=O)CCc1csc(-c2ccccn2)n1)C(=O)Nc1ccc(SC#N)cc1 1867058014 RRVOSARHFMLUOZ-HSZRJFAPSA-N 465.604 4.634 50 10 JJGE COc1cc(/C=N/NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccc(C)cc1 1873499314 PLCYADKQOHQPHI-WJRZFDRGSA-N 481.593 4.680 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 1873795351 ZJAKQVWLSKIGSW-YYHBXHNPSA-N 457.958 4.769 50 10 JJGE COc1cc(Br)c([C@H](Br)[C@H]2C[C@@H]2Br)c(OC)c1OC 1887726076 WMSMUXRYSBMWJM-OKTBNZSVSA-N 458.972 4.694 50 10 JJGE COc1cc(C)c([C@@H](Br)c2cn(C)nc2Br)cc1Br 1901630565 PDTOEGDXQRYYJE-GFCCVEGCSA-N 452.972 4.746 50 10 JJGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)CC2(CBr)CCCCC2)C1 1977956588 ADIJLKSYICDBJO-UHFFFAOYSA-N 481.475 4.816 50 10 JJGE O=S(=O)(c1cc(CCl)ccc1Br)N(Cc1ccccc1)CC(F)(F)F 2034735141 PDGKBZFQRZRKET-UHFFFAOYSA-N 456.711 4.941 50 10 JJGE C[C@H](NC(=O)c1csc(Br)c1Br)[C@H]1CCC[C@H]1Br 2048890628 GQSUOSONFPZNCV-LKEWCRSYSA-N 460.029 4.955 50 10 JJGE CCOc1ccc([C@@H](Br)c2cc(Br)n(C)n2)cc1Br 2094083291 ZQULHCQPEIJXGE-CYBMUJFWSA-N 452.972 4.828 50 10 JJGE O=C(NC[C@@H](Br)CC(F)(F)F)c1c(Br)cccc1Br 2119065549 DVGPWTWZJLIKPJ-LURJTMIESA-N 467.905 4.657 50 10 JJGE CC(C)[C@@H](Br)CN(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2167644281 SHZMHBAQENYBQY-VIFPVBQESA-N 468.038 4.796 50 10 JJGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)ccc1CBr 2179789593 SLMDHLMOTQIJPB-IBGZPJMESA-N 452.414 4.648 50 10 JJGE C[C@H](CO[C@@H](CI)c1ccccc1Br)N1CCCCC1 2186735880 PTEVLGLMTKPJAO-CJNGLKHVSA-N 452.174 4.816 50 10 JJGE Cc1c(Br)ccc([C@@H](Br)[C@H]2CCn3ncnc3C2)c1Br 2203708085 ZVEDOIDEJGXAMP-XPTSAGLGSA-N 463.999 4.810 50 10 JJGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2I)CC[C@H]1CCCl 2207272266 MWMCNCBVMJSIJT-GHMZBOCLSA-N 470.576 4.781 50 10 JJGE CC(C)(C)OC(=O)NCC(C)(C)C1CCN(CCCCCI)CC1 2214695317 FNQGIFBRKKKQHC-UHFFFAOYSA-N 452.421 4.855 50 10 JJGE COc1cc(NC=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(C(C)=O)cc1OC 2296928531 XDMJZITYXKUQKY-UHFFFAOYSA-N 450.476 4.915 50 10 JJGE CCCn1c(C)cc(C=C(C#N)C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1C 2297356620 PCJIYPBYPDWSQC-OAHLLOKOSA-N 458.902 4.554 50 10 JJGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1ccc(Cl)cc1I 2303705421 ISPBJXYFOUHCKC-HNNXBMFYSA-N 478.157 4.889 50 10 JJGE COc1cc(Br)c([C@H](Br)c2c(Br)ncn2C)cc1C 2337286082 VRNQEUXJDURXKH-NSHDSACASA-N 452.972 4.746 50 10 JJGE CN(Cc1c(Br)c(Br)nn1C)c1ccnc(Cl)c1CBr 2370815491 MBMBRAUKCXDDDQ-UHFFFAOYSA-N 487.421 4.525 50 10 JJGE CC1CCC([C@H](CBr)NC(=O)c2ccc(I)cc2)CC1 2379733900 XUWQWANQYKAQTP-QOZQQMKHSA-N 450.158 4.611 50 10 JJGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccco2)cc(C)c1Cl 38657485 IULUCYUHWGHINQ-QFIPXVFZSA-N 450.878 4.752 50 10 JJGE CCCc1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 40844444 JSPURWPVXODVLT-UHFFFAOYSA-N 454.611 4.958 50 10 JJGE CCOc1c(Br)cc(/C=N/NC(=O)COc2cccc3ccccc23)cc1OC 40911850 YQHFGJVEWXWFNQ-ZMOGYAJESA-N 457.324 4.539 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 101339811 HTCBNKPMIKRXLQ-WYMPLXKRSA-N 496.494 4.926 50 10 JJGE O=S(=O)(c1cc(Cl)c(Br)s1)N(CCBr)C1CCCCC1 147341679 JGWSYNPGVZYOIN-UHFFFAOYSA-N 465.660 4.882 50 10 JJGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1[C@@H]2CC[C@@H]1CC(Br)C2 160475212 UDLPMJGSZQVEHR-NXEZZACHSA-N 478.033 4.835 50 10 JJGE CCCOc1ccccc1/C=N\NC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 169920492 QAFASQVNRZSSAM-WGARJPEWSA-N 458.345 4.756 50 10 JJGE O=C(NCCCCCI)c1cc(Br)ccc1Br 229223078 COYLZIQEKGGIBV-UHFFFAOYSA-N 474.962 4.547 50 10 JJGE O=C(NCCCCCCI)c1cc(Br)cc(Br)c1 232479505 ZETYDXYBAYSZCI-UHFFFAOYSA-N 488.989 4.937 50 10 JJGE CC(C)(C)c1ccc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 254292807 UOCFLBCFRHQIBI-GIEOXDGVSA-N 469.541 4.634 50 10 JJGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(SCc3ccccc3)s2)cc1 254762803 CBYJAFCECWSIIW-UHFFFAOYSA-N 471.677 4.919 50 10 JJGE Cc1ccc(-n2c(SCC(=O)NN=C/C=C/c3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)cc1 254791053 OXSVAPMZXXCHLF-SBUPGQCKSA-N 499.552 4.510 50 10 JJGE CCN(CC)C(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 256022798 CGEABFZZHJWWEE-BIGNPOOSSA-N 460.048 4.541 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CCS[C@@H](CCBr)C1 720041268 PJPZVCCJAANNCA-JTQLQIEISA-N 472.040 4.554 50 10 JJGE BrCC(CBr)(CCO[C@@H]1CCOC1)c1cccc(Br)c1 724983405 BBUOIFZKBVYCFB-CQSZACIVSA-N 471.027 4.672 50 10 JJGE COc1ccc(NC(=O)C(=O)NN=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 1084097014 QIYZSQCXWNKGAZ-UHFFFAOYSA-N 472.328 4.670 50 10 JJGE O=[N+]([O-])c1cc(Br)cc([C@H]2CN(Cc3ccccc3)C[C@@H]2CBr)c1 1614643328 UQSQXLUZJSOCSL-MAUKXSAKSA-N 454.162 4.968 50 10 JJGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2)CCC3)c(OC)c1 1772743648 HUORYPVPSUROBI-UHFFFAOYSA-N 481.936 4.981 50 10 JJGE Cc1c(C(=O)NCCc2cccs2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772744247 SYQXDJLDVMHFMS-UHFFFAOYSA-N 455.967 4.746 50 10 JJGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccoc1C)CCC2 1772749336 LLADEZVRGHZZNC-UHFFFAOYSA-N 455.898 4.874 50 10 JJGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)N/N=C/c4cccc(Cl)c4Cl)c(=O)c23)C1 1860773837 HAPWNMCRSCPRDL-JOCAPRCESA-N 463.390 4.601 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc1OCC 1865688826 BZRRPOWMHSPGGS-RUZDIDTESA-N 458.562 4.872 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 1873793584 RCRARPCTCOCNCK-YYHBXHNPSA-N 457.958 4.769 50 10 JJGE CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1c(O)ccc2cc(Br)ccc12 1873795435 JJSYDLSOWUSNII-AFUMVMLFSA-N 478.387 4.843 50 10 JJGE O=C(Nc1cc(Br)c(Br)c(Br)c1)[C@H]1C[C@@H]1Br 1991403100 DNCLPRDJLQSTKM-WDSKDSINSA-N 476.788 4.696 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H](C2CC2)[C@@H](Br)C1 2030211787 BYNMTDXKGFQMMX-SFYZADRCSA-N 458.013 4.519 50 10 JJGE CC1(C)[C@@H](Br)CC[C@H]1NC(=O)c1cc(Br)c(Br)s1 2086023664 GNVNZEDKIUMGQD-DTWKUNHWSA-N 460.029 4.955 50 10 JJGE COc1cc(F)c([C@H](Br)c2cc(Br)n(C)n2)cc1Br 2138158153 CAYBMZGESFQTTR-LBPRGKRZSA-N 456.935 4.577 50 10 JJGE Cn1cc(Br)c(CC(CBr)(CBr)c2ccc(F)cc2)n1 2143634453 NMDSYIWJPAJQOS-UHFFFAOYSA-N 468.990 4.592 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@@H]2C[C@H](Br)CC[C@H]21 2148752625 OXWKIUIKEFHXLF-GIPNMCIBSA-N 466.011 4.990 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@@H](Br)C(F)(F)CC1 2150019692 UNWGNRYCECSFJN-LLVKDONJSA-N 475.953 4.846 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H](CCl)[C@@H](C(F)(F)F)C1 2163349773 XZGRRVYCFOVMEU-WDSKDSINSA-N 455.521 4.762 50 10 JJGE O=C(N[C@H](CBr)[C@H]1CC=CCC1)c1ccc(I)c(Cl)c1 2196151791 QTNZNQRWVKBJSM-IINYFYTJSA-N 468.560 4.794 50 10 JJGE CCC[C@@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@@H]1CCl 2205694708 BNBYBVVFCADCQW-MNOVXSKESA-N 470.576 4.781 50 10 JJGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc([N+](=O)[O-])c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2293038672 SMUCCMMTSQSZNN-XMMPIXPASA-N 498.564 4.646 50 10 JJGE N#CC(=Cc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccc(Cl)cc1 2295172558 AKYFMJNEGACIPV-UHFFFAOYSA-N 483.889 4.562 50 10 JJGE CC1([C@H](CBr)NCc2ccc(I)c(Br)c2)CC1 2306222561 VXHZGJIOLLUDBD-LBPRGKRZSA-N 472.990 4.707 50 10 JJGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)NC)cc1 2314593799 TXBOTLPEKQHQKX-SFHVURJKSA-N 460.386 4.728 50 10 JJGE CO[C@H]1C[C@@H]([C@@H](Br)c2sc(Cl)cc2I)C[C@H]1OC 2316768111 WEKIBFMJWIVQBA-DYUFWOLASA-N 465.578 4.882 50 10 JJGE N#CC(=Cc1cccc(Cl)c1)C(=O)NC[C@H](c1ccccc1)S(=O)(=O)c1ccccc1 2329684264 VUQZVMRJZZMGKK-HSZRJFAPSA-N 450.947 4.578 50 10 JJGE CC(C)[C@H](Br)C(C)(C)NC(=O)c1ccc(Cl)cc1I 2340410394 LLJFSDBZJYEILP-LBPRGKRZSA-N 458.565 4.873 50 10 JJGE CC1(C)[C@H]2CO[C@]1(CO[C@H](CI)c1cccc(Br)c1)C2 2359842086 XHNMCRUNFIQBKW-XPKDYRNWSA-N 451.142 4.757 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1C[C@H](Br)CC12CCCC2 2365592485 NSQQDBZDLSDABL-SNVBAGLBSA-N 468.560 4.867 50 10 JJGE CCCCc1ccc(NC(=S)NNC(=O)c2cc(OCC)c(OCC)c(OCC)c2)cc1 13923881 RGKUOOJSWHOCHV-UHFFFAOYSA-N 459.612 4.857 50 10 JJGE COc1cc(C(=O)N/N=C/c2ccc(OC)c(COc3ccc(Br)cc3)c2)ccc1O 20258591 ZVFOWQFDPUHFOC-DHRITJCHSA-N 485.334 4.515 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)c(OC)c1 38656996 KTVGGPMIXDRGRQ-AREMUKBSSA-N 486.524 4.928 50 10 JJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)c1 38659974 OEXKZYBCAZSOLZ-RUZDIDTESA-N 476.916 4.723 50 10 JJGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)c1 38684945 PLYBETLKPAPDPB-HHHXNRCGSA-N 470.525 4.905 50 10 JJGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 59304090 AVKAZXCNVHRVKE-ZMOGYAJESA-N 476.401 4.814 50 10 JJGE CC1=C(C(=O)N/N=C/c2ccc(Cl)cc2Cl)[C@H](c2ccccc2Cl)NC(=S)N1 59384887 CDRTUDSUYPHYRN-OYCFWJGQSA-N 453.782 4.590 50 10 JJGE COc1cc(/C=C(/C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)cc(Br)c1O 95949639 QNHZPURUDHRCAN-GWHHBTOMSA-N 472.364 4.650 50 10 JJGE Cc1ccc(C(C)C)c(OCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)c1 206731267 DOEBDOYDAAGLRQ-STZFKDTASA-N 458.514 4.919 50 10 JJGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1cccc2cccnc12 217254223 BFBIQAAXQGASRF-QINSGFPZSA-N 454.271 4.606 50 10 JJGE O=S(=O)(Nc1ccc(I)c(Br)c1)c1ccccc1CCl 380427141 LIGQTOKPGHHZMB-UHFFFAOYSA-N 486.556 4.593 50 10 JJGE C[C@H](Br)C[C@H](C)CNC(=O)c1cc(I)ccc1Br 397860819 XNWVOMUGXIYCOS-IUCAKERBSA-N 488.989 4.593 50 10 JJGE CC1(C)[C@@]2(/C=C/[C@@]34CC[C@@](C(=O)O)([C@@H]3Br)C4(C)C)CC[C@@]1(C(=O)O)[C@H]2Br 675029670 DZCAUHVDKAGJQC-WDNGOXEISA-N 490.232 4.852 50 10 JJGE FC(F)(F)c1cnc(N2CCC[C@@H](CBr)CC2)c(I)c1 686114097 LADFZHXMTHXTKT-SECBINFHSA-N 463.079 4.706 50 10 JJGE C[C@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@@H](C)[C@@H]1Br 688082586 GAHBJUOKEKWDIE-WOFXILAISA-N 454.000 4.703 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2C[C@@H](Br)C[C@H]1C2 709822237 KFMLVIDPZYUFIX-JMJZKYOTSA-N 451.984 4.600 50 10 JJGE C[C@H]1CCCN(C(=O)c2ccc(I)c(Br)c2)[C@H]1CCCl 721623818 VGHIOOXQHGUJBY-HZMBPMFUSA-N 470.576 4.923 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2ncccn2)c(C)n1-c1cc(Cl)ccc1Cl 821774041 DVIGBYPQMMJNIY-HAKPAVFJSA-N 484.343 4.668 50 10 JJGE Cc1cccnc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751178 JQMDCKSFIXGBFK-UHFFFAOYSA-N 453.502 4.562 50 10 JJGE CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1 1865683169 HQJPYWCEHDAWDB-QGZVFWFLSA-N 459.859 4.829 50 10 JJGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCCc2ccccc2)c(OC)c1 1865688230 NMGOLRZMUPYOLP-FQEVSTJZSA-N 484.478 4.770 50 10 JJGE Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)c(C(=O)O)c1 1866129043 ZKIMSGBZTPXJES-XYOKQWHBSA-N 464.113 4.764 50 10 JJGE COCCN1[C@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)C[C@H]1C 1868342364 TUINSJXYQDBLDG-QZTJIDSGSA-N 454.644 4.636 50 10 JJGE BrCc1cc(Br)cc(Br)c1OC[C@@]12CCOC[C@@H]1C2 1880394529 FAVAQRBBOCFIHU-HZMBPMFUSA-N 454.984 4.912 50 10 JJGE FC1(F)[C@@H]2COC[C@@]21[C@H](Br)c1sc(Br)cc1Br 1906051507 WEDKINGKANNISR-CGMLFGJQSA-N 452.940 4.991 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@@H](Cl)CCc1ccc(I)c(Cl)c1 1907284647 HKSLARQRUIQEOL-LBPRGKRZSA-N 474.125 4.781 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CC[C@H](Br)C12CCC2 1914452036 WLCPXPYAKYENKI-LBPRGKRZSA-N 498.984 4.586 50 10 JJGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cccc(Br)c1F 1916384936 DZNVQUNNHKAXEL-AWEZNQCLSA-N 459.153 4.641 50 10 JJGE CSCC[C@@H](Br)CCNC(=O)c1cc(Br)c(Br)s1 2029925789 TZRIPPWIUGWTFD-ZETCQYMHSA-N 480.085 4.910 50 10 JJGE C[C@H]1C[C@H](Br)[C@H](C)CN1C(=O)c1scc(Br)c1Br 2032207033 KTUANARECCWQSU-CSMHCCOUSA-N 460.029 4.907 50 10 JJGE CCC[C@@H](Br)c1cn(-c2ccc(I)cc2Br)nn1 2057426557 GSVIBDCELJYSAG-SECBINFHSA-N 484.961 4.871 50 10 JJGE CC(C)[C@@H](Br)c1cn(-c2cc(Br)ccc2I)nn1 2057428371 AQAYBUHKUDMVHA-GFCCVEGCSA-N 484.961 4.726 50 10 JJGE C[C@H](CCCCCI)NC(=O)c1cc(I)ccc1F 2117884128 WQPXARQEFATPKB-SNVBAGLBSA-N 489.110 4.544 50 10 JJGE Cc1[nH]nc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)c2cccs2)c1CBr 2123231434 DSYRVBWPQPVKIE-CQSZACIVSA-N 454.415 4.627 50 10 JJGE CN(C(=O)c1ccc(Br)cc1I)[C@@H](CCl)C(C)(C)C 2142288460 KSEOTEBHWTUORD-LBPRGKRZSA-N 458.565 4.779 50 10 JJGE Clc1cc(CN2C[C@@H]3CCC[C@]3(CBr)C2)ccc1I 2142943210 KKAMIARHHITYQV-WFASDCNBSA-N 454.577 4.942 50 10 JJGE O=C(c1cc(Br)ccc1I)N1C[C@@H](Cl)CC2(CCC2)C1 2151342096 HTKMSHMZKKZNLC-NSHDSACASA-N 468.560 4.677 50 10 JJGE CC1(C)C[C@H](Br)C[C@@H](NC(=O)c2cc(I)ccc2F)C1 2169668093 MIJCXQKTTUMAJT-MWLCHTKSSA-N 454.121 4.502 50 10 JJGE Cc1sc(CBr)cc1S(=O)(=O)N(C)[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2179822877 BNNOTUZRSFDWNQ-MJGOQNOKSA-N 472.470 4.956 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H](Br)CCC12CC2 2220270965 WOBJNAZXQWXMTD-SSDOTTSWSA-N 458.013 4.805 50 10 JJGE Cl[C@H]1CN(c2ncc(I)cc2Br)C2(CCCCC2)C1 2232297467 MLNDEOBYZRGQLL-SNVBAGLBSA-N 455.565 4.969 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1[C@H]2CCC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2257994919 NFWULPTYTLSKAJ-SEXKYXSUSA-N 489.748 4.954 50 10 JJGE C[C@](CI)(OCCOC(F)(F)F)c1ccccc1Br 2265066326 NCBJLQPDUGHEFD-LLVKDONJSA-N 453.036 4.652 50 10 JJGE O=S1(=O)CCC[C@@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288499363 SQVIPRFFEFYIOT-LDWIPMOCSA-N 496.993 4.751 50 10 JJGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(Oc3ccc(C)cc3C)nc3ccccn3c2=O)cc1 2296720351 VDLQAWYSMOZYTK-UHFFFAOYSA-N 471.538 4.750 50 10 JJGE C[C@]1(CBr)C=CCN1Cc1ccc(I)c(Br)c1 2306232499 VQCPYPOCBODPKA-CYBMUJFWSA-N 470.974 4.579 50 10 JJGE CCOc1cc(Br)c(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 2313566926 DQMGRNLBWJYTNI-UHFFFAOYSA-N 484.394 4.502 50 10 JJGE COc1ccc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c(Br)c1OC 2323153186 HRFDLVAVJWDIOX-UHFFFAOYSA-N 456.340 4.590 50 10 JJGE COc1ccc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1OCc1ccc(Cl)cc1 2328799263 XYIGVNTXBQAPKQ-QFIPXVFZSA-N 490.000 4.927 50 10 JJGE C=CC[C@@H](Br)[C@H]1CCN1C(=O)c1c(Br)cccc1Br 2335817484 KLXRUQKJJJLEDG-BXKDBHETSA-N 451.984 4.766 50 10 JJGE Cn1nc(Br)c(Br)c1[C@H](Br)Cc1ccccc1[N+](=O)[O-] 2364031541 KTKKSHPDPRVVOS-MRVPVSSYSA-N 467.943 4.532 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1[C@H](CBr)C[C@H]2CCC[C@@H]21 2365597515 HLPUVMQBOXZZGE-PUYPPJJSSA-N 468.560 4.723 50 10 JJGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(OCCc3ccccc3)c2)cc1 10331755 RNWMNGJJGUYSLR-UHFFFAOYSA-N 459.546 4.512 50 10 JJGE CCCCCOc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14035817 FTVXGDMLTVKBAY-UHFFFAOYSA-N 451.567 4.849 50 10 JJGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)N2CCCCC2)ccc1Cl 33691862 VACFRJRMLFPMJB-JXAWBTAJSA-N 462.937 4.677 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(Cl)cc2Cl)c1[N+](=O)[O-])c1ccc(Cl)cc1 40650202 GKKUMADTKPCZJS-UHFFFAOYSA-N 453.673 4.846 50 10 JJGE Cc1ccc2c(Nc3ncnc(NNC(=O)c4ccccc4Br)c3[N+](=O)[O-])cccc2n1 40658408 KLIBLRUYIRCLQP-UHFFFAOYSA-N 494.309 4.504 50 10 JJGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(CC)cc1 101241458 GKWBTGKDHJGVMC-AZJLSSPBSA-N 451.979 4.631 50 10 JJGE O=C1NC(=S)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccc(N(CCCl)CCCl)cc1 103732110 AFDHBOYVJQCRCZ-PGMHBOJBSA-N 498.435 4.955 50 10 JJGE COc1cc(C[C@@H](Br)c2cc(Br)ccc2Br)ncn1 161330329 JCKAISCTGRXRPJ-GFCCVEGCSA-N 450.956 4.689 50 10 JJGE N#C/C(=C/NC12CC3CC(CC(C3)C1)C2)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216504611 GUOXOAGIQDNSNA-SLMZUGIISA-N 480.656 4.886 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1[C@H]2CC[C@H]1CC(Br)C2 232457993 MTZSTVHSSVNKPJ-STQMWFEESA-N 451.984 4.742 50 10 JJGE CN(C[C@@H]1CCC[C@H]1Br)C(=O)c1cc(Br)c(Br)s1 689315582 TWMHDTIVRMVDEO-JGVFFNPUSA-N 460.029 4.909 50 10 JJGE C[C@]1(CBr)CCCCN1C(=O)c1cc(Br)ccc1Br 723012359 PSXWQSRDFDAPLV-CQSZACIVSA-N 454.000 4.991 50 10 JJGE O=C(Nc1ccccc1C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccsc1 790008155 WIEHCZFFJITMHS-UHFFFAOYSA-N 489.528 4.793 50 10 JJGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772752060 SVNWHHUQVJWSPM-UHFFFAOYSA-N 482.334 4.779 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)ccc1O 1865705969 KUZPWACSCNCGEJ-QGZVFWFLSA-N 476.842 4.536 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2nc(C3CC3)n3ccccc23)cc1 1866859903 RKWFLRYQDUKWQW-QFIPXVFZSA-N 499.571 4.904 50 10 JJGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)c(OC)c3)n2)c1 1873920948 NDQQBCHLOVTIKC-PGMHBOJBSA-N 454.504 4.803 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 1902124120 FGSNPHNSABYLIM-SJORKVTESA-N 463.710 4.566 50 10 JJGE C[C@H](Br)C(C)(C)CNC(=O)c1cc(I)ccc1Br 1913837623 IIVTXPLAGLMUFI-QMMMGPOBSA-N 488.989 4.593 50 10 JJGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1cccc(Br)c1 1915088731 OJBTVQAFZZGQLI-AWEZNQCLSA-N 461.219 4.814 50 10 JJGE Cc1cc2nc(CCl)n(-c3cc(I)ccc3Br)c2cn1 1917619548 SICHYCJKEMQIHD-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE O=C(CCCCl)Nc1cc(Br)c(I)c(Br)c1 1938594609 RWCYMDFPBJPOAH-UHFFFAOYSA-N 481.353 4.774 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC2CCC(F)(F)CC2)C1 1995725226 YGSXFRMBYHSKHF-MRXNPFEDSA-N 459.315 4.786 50 10 JJGE Cn1nc(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)c(Br)c1Cl 2001994340 XKQOBEKXHLQQON-CYBMUJFWSA-N 475.612 4.652 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2CC[C@@H](Br)[C@H]2C1 2027643844 WFPQZEKYDHXIOH-CNUIFLNQSA-N 458.013 4.519 50 10 JJGE C[C@@H]1CN(C(=O)c2csc(Br)c2Br)[C@H](C)C[C@H]1Br 2032953568 LQYLDHQFFJWYMX-ZXFLCMHBSA-N 460.029 4.907 50 10 JJGE FC(F)c1cc(CBr)c(I)cc1I 2060237754 SGZJVPRBRIPADY-UHFFFAOYSA-N 472.836 4.728 50 10 JJGE CC1(C)C[C@H](CBr)CN1C(=O)c1cc(Br)sc1Br 2064377257 UTTJQNHVHTXCEI-SSDOTTSWSA-N 460.029 4.909 50 10 JJGE Clc1ccc(I)c(CN2C[C@H]3[C@@H](Br)CCC[C@H]3C2)c1 2094589755 BGJXIGQSCMKBJF-GDLCADMTSA-N 454.577 4.940 50 10 JJGE CC[C@@]1(CBr)COCCN1Cc1cccc(Br)c1Br 2112719615 CSATVVVMUUQZDC-CQSZACIVSA-N 456.016 4.588 50 10 JJGE Cc1cc(Br)c(-n2cc(CC[C@@H](C)Br)nn2)c(Br)c1 2132754265 LRMUHMMQIBCPCW-SECBINFHSA-N 451.988 4.817 50 10 JJGE Cc1cc(CBr)cc(S(=O)(=O)N2CCC(OCc3ccccc3)CC2)c1C 2179863754 QVYUCVVFXABMCT-UHFFFAOYSA-N 452.414 4.568 50 10 JJGE Cc1ccc(CBr)cc1S(=O)(=O)N1CC[C@@]1(C)CCOCc1ccccc1 2197756132 VDEVLRFWCMEVPM-NRFANRHFSA-N 452.414 4.650 50 10 JJGE C[C@H]1CN(C(=O)c2ccc(Br)cc2I)CC[C@@H]1CCCl 2207272268 MWMCNCBVMJSIJT-QWRGUYRKSA-N 470.576 4.781 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OCCOc1cc(C)ccc1C 2293606199 IEONFBURQIYUFF-UHFFFAOYSA-N 460.530 4.976 50 10 JJGE CCOC(=O)C(C#N)=Cc1cc(Br)c(OCCOc2ccccc2C)c(OC)c1 2293993147 MWNJXCMOQVHPBG-UHFFFAOYSA-N 460.324 4.694 50 10 JJGE Cc1ccc(OCC(=O)NN=Cc2cc(Br)ccc2OC(=O)C=Cc2ccco2)cc1C 2296065475 FALWVIKZRXRMDA-UHFFFAOYSA-N 497.345 4.807 50 10 JJGE COc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593543 OUOWMMGKQPMSMQ-VWLOTQADSA-N 483.593 4.746 50 10 JJGE O=S1(=O)CC[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315461485 SZHYHJGFFNPPBT-SVRRBLITSA-N 485.394 4.627 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](OCc2cccc(CC(F)(F)F)c2)[C@H](I)C1 2353124624 UWOVQCAYTWRHPS-CABCVRRESA-N 485.284 4.731 50 10 JJGE Clc1ccc(I)cc1CN1CCC(COCCBr)CC1 2380521864 JCKUSGJSYIINDS-UHFFFAOYSA-N 472.592 4.568 50 10 JJGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1cccc2ccccc12 14650761 BCSFWIILBXIMNO-UHFFFAOYSA-N 485.378 4.867 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCC)cc1 14655088 BPIZPBWEDAQADA-UHFFFAOYSA-N 463.372 4.882 50 10 JJGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2C)CCC3)c1 40811458 HLUIZNFFAQMNSJ-TURZUDJPSA-N 461.518 4.636 50 10 JJGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 58891842 RRKCJCXNCGJERE-CIGKTAFOSA-N 472.541 4.656 50 10 JJGE Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=N/NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 59146698 SFSOPMDRXPINDT-VXHUXDJESA-N 476.320 4.622 50 10 JJGE CN1C(=O)CCc2cc([C@@H](Br)c3cccc(I)c3)ccc21 62807177 AMNFRZUCASHUDL-KRWDZBQOSA-N 456.121 4.685 50 10 JJGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)C(C)(C)CCCOc2cc(C)ccc2C)c1 66201420 IVEFXIUSWIITQE-UHFFFAOYSA-N 467.610 4.672 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2)o1 101336577 SUJDDVZVHSDZKM-RGVLZGJSSA-N 474.314 4.897 50 10 JJGE O=S(=O)(Nc1ccc(I)cc1Cl)c1ccc(CBr)cc1 115918449 BEPYADNHCUOVML-UHFFFAOYSA-N 486.556 4.640 50 10 JJGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2c(Cl)cccc2Cl)C1 118875333 CVOGJLQOBOYNKS-SNVBAGLBSA-N 479.061 4.747 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CCl)[C@@H](c2ccc(I)cc2)C1 382682968 FLCLGMZLNMLBMR-SJLPKXTDSA-N 455.723 4.882 50 10 JJGE C[C@@H]1CC[C@@H](CCl)CN1C(=O)c1cc(Br)ccc1I 688694129 CSPTVINUUVWDPT-ZJUUUORDSA-N 456.549 4.533 50 10 JJGE CCn1cc([C@H](Br)c2cc(Br)cc3c2OCC3)nc1Br 698388437 BYSLLODIQCEUAN-GFCCVEGCSA-N 464.983 4.847 50 10 JJGE CC1=C(C(=O)NN=Cc2cccc(Br)c2)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 1084387891 ZFWVMALWHVTQEU-QGZVFWFLSA-N 498.233 4.699 50 10 JJGE Cc1c([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cccc1[N+](=O)[O-] 1614628822 FBBDDWZOPBMIFE-SJLPKXTDSA-N 480.302 4.690 50 10 JJGE CCCOc1ccc(C=NNC(=O)COc2ccc(CCC)cc2Br)cc1OC 1772755625 APRQOCYPMHWGSQ-UHFFFAOYSA-N 463.372 4.728 50 10 JJGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccccn1 1865690783 BAHHLTRIDVLAIT-XMMPIXPASA-N 477.524 4.726 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)c1 1865712364 WNRQJBGVESJYEO-KRWDZBQOSA-N 460.843 4.830 50 10 JJGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714823 RACFVIAUSCCCQZ-LJQANCHMSA-N 486.315 4.633 50 10 JJGE COc1cccc(-c2ccc(C(=O)NNC(=O)[C@@H](Cc3ccccc3)c3ccccc3)c(C)n2)c1 1865758677 LWKPQCJHERSJHI-SANMLTNESA-N 465.553 4.853 50 10 JJGE O=S(=O)(NCC1CCC(CBr)CC1)c1cc(Cl)c(Br)s1 1922702196 LIVFMQSVMRLFKD-UHFFFAOYSA-N 465.660 4.644 50 10 JJGE CC1(C)CC[C@@H](Br)[C@H](CNC(=O)c2ccc(I)cc2)C1 1927048463 FHXMSZOLASMNJA-GXTWGEPZSA-N 450.158 4.611 50 10 JJGE Cc1nc(I)c(I)n1-c1ccc(CCl)cc1Cl 1941554382 VEYLIDSMGAWWFU-UHFFFAOYSA-N 492.913 4.782 50 10 JJGE O=C(NC[C@@H](CBr)C(F)(F)F)c1scc(Br)c1Br 2043317783 QURHTABQYKJPPP-SCSAIBSYSA-N 473.934 4.576 50 10 JJGE CC(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1scc(Br)c1Br 2062180919 XBGKJXDHWKBKDP-OIBJUYFYSA-N 460.029 4.907 50 10 JJGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2c1ncc(I)cc1Br 2069529803 UDXXAXSTVOLUAZ-NCIFOGHDSA-N 485.989 4.589 50 10 JJGE C[C@H]1C[C@H](Cl)[C@H](C)CN1C(=O)c1cc(I)ccc1Br 2093100664 GMNRATQCYRWBGV-ZDMBXUJBSA-N 456.549 4.532 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@H](Br)CC12CCC2 2099390640 ZGOQCCANMSUAQT-SECBINFHSA-N 451.984 4.744 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@H](CBr)C12CC2 2133825896 SPMYDIWDACYADT-SECBINFHSA-N 451.984 4.601 50 10 JJGE CC[C@@H](Br)CN(C1CC1)S(=O)(=O)c1cc(Br)ccc1Br 2163669831 PUHCXAAXHCGMNZ-SECBINFHSA-N 490.055 4.538 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCc2ccc(C(F)(F)F)cc2)C1 2223304878 WIXWTSRRGZGMGU-KBPBESRZSA-N 471.257 4.645 50 10 JJGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCC[C@@H](CCCBr)C1 2234186363 OXAGXWLIHNXNOL-SECBINFHSA-N 465.660 4.740 50 10 JJGE O=C(N[C@H]1CCC[C@@H](CBr)C1)c1ccc(Cl)c(I)c1 2268350058 SGHPYOFLGAXRNZ-KOLCDFICSA-N 456.549 4.628 50 10 JJGE C=CC[C@H](Br)[C@@H]1CCN1C(=O)c1cc(Br)sc1Br 2314228271 AFQSPUJEEDSNHG-IUCAKERBSA-N 458.013 4.827 50 10 JJGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)C=Cc1cccc(OC(C)C)c1 2321073302 ZXZPPUKOLBDZKQ-UHFFFAOYSA-N 451.473 4.597 50 10 JJGE C[C@H]1[C@H](C)N(C(=O)c2scc(Br)c2Br)CC[C@H]1Br 2321284732 ILOGJFQZYNYFPJ-BIIVOSGPSA-N 460.029 4.907 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)ccc1OCc1ccc(C)cc1 2328791968 FKHMFSTXWWGULC-UHFFFAOYSA-N 486.524 4.527 50 10 JJGE N#CC(=C(O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(F)cc2)cs1 2331344600 ZHTLLNJCCINJSL-UHFFFAOYSA-N 452.467 4.644 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@H]2CC[C@H]1[C@H](Br)C2 2349948890 TXKLWMPFKLGOGE-AXTRIDKLSA-N 451.984 4.600 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(Br)c1OC(C)=O 33929983 URXJAYRPLUMQPH-NVNXTCNLSA-N 488.294 4.535 50 10 JJGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)ccc1Cl 38653968 CEJGUGGFFWBABN-DEOSSOPVSA-N 491.887 4.759 50 10 JJGE COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3cccc(C)c3)nc3c(C)cccn3c2=O)c1 39858634 BZJGAPLSUZPSRC-RGEXLXHISA-N 466.497 4.658 50 10 JJGE CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)OCC 40948913 NZUGLAFYWPYVIG-GHRIWEEISA-N 470.547 4.744 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(Br)o2)c(Br)c1 40950856 SMDBHTPBAQDRBV-AWQFTUOYSA-N 458.150 4.631 50 10 JJGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1cccc(F)c1 58888143 HMEQNWGTDSTMBT-TYNJROEQSA-N 450.510 4.767 50 10 JJGE Cc1cc(C)c(OCC(=O)N/N=C2\C(=O)N(C/C=C/c3ccccc3)c3ccccc32)c(C)c1 59147188 NTHBXXPHFLSGNK-ODXSWAAMSA-N 453.542 4.571 50 10 JJGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242016 OYPMZJJSODBEEB-FYAMCCBRSA-N 471.582 4.893 50 10 JJGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(OC)cc3)nc3c(C)cccn3c2=O)cc1 102847604 ILQXRRXIQBNODP-MNDPQUGUSA-N 496.523 4.748 50 10 JJGE CN(C(=O)c1ccc(I)c(Cl)c1)[C@@H]1CCCC[C@H]1Br 232350718 JNTITNKZUDOKRM-ZWNOBZJWSA-N 456.549 4.723 50 10 JJGE CCOc1ccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1OC 254291019 CCCFOFPYKMMGLK-UHFFFAOYSA-N 474.586 4.734 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CCCC[C@@H](CBr)C1 696785458 LHQNFKMGYTVZDD-JTQLQIEISA-N 454.000 4.849 50 10 JJGE CN(C)c1nc(COc2c(Br)cc(CBr)cc2Br)ns1 699137121 KVSSDQNATNMKNE-UHFFFAOYSA-N 486.027 4.603 50 10 JJGE O=C(N[C@H]1CCC[C@@H](CBr)C1)c1scc(Br)c1Br 705404806 FUTPCRVHDVWDOS-SFYZADRCSA-N 460.029 4.957 50 10 JJGE Cc1sc2nc(CC(=O)NN=Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)nc(O)c2c1C 918710081 FZGSXVAFSFHULH-UHFFFAOYSA-N 491.520 4.849 50 10 JJGE C[C@H]1CCCCN1CCCCNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 920471319 CWIUVXOKGBMIIO-RWVGPTSPSA-N 479.028 4.795 50 10 JJGE O=C(O)c1ccc(C=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 1083851997 IGSHTANBUULHIG-UHFFFAOYSA-N 455.558 4.603 50 10 JJGE C=CCNC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OC)cc2)c1C 1353678254 MZLGBJYWUBPKIE-PGMHBOJBSA-N 454.530 4.564 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1 1865694046 OOPMUEBVUVTLNX-GOSISDBHSA-N 458.415 4.706 50 10 JJGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2OC)cc1 1865701409 UZSAEQPELJMUJI-QHCPKHFHSA-N 480.524 4.783 50 10 JJGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714024 BBRRRLCNKSGPEY-IBGZPJMESA-N 453.315 4.614 50 10 JJGE CC(C)[C@H](C(=O)N[C@@H](C)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866973790 GHUCFHPSWMPWOR-LIRRHRJNSA-N 460.397 4.905 50 10 JJGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@@H]1C[C@H]1Br 1888778863 MAXMEEJZJFXJSF-ARBPTSGCSA-N 471.395 4.546 50 10 JJGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CCl)sc1Br 1915017198 DSLMHMDXZGWSRY-OAHLLOKOSA-N 477.877 4.535 50 10 JJGE CC[C@H](Br)c1nnc(-c2ccc(Br)cc2I)o1 2026221319 KFESOSVPCCZSRH-QMMMGPOBSA-N 471.918 4.950 50 10 JJGE O=S1(=O)C[C@@H]2[C@H]([C@H](Cl)c3c(Br)sc(Br)c3Br)[C@@H]2C1 2054225757 FWTDQVYTOWSFSW-WVBYAZCYSA-N 499.471 4.606 50 10 JJGE FC(F)(F)Oc1c(I)ccc(I)c1CCl 2060234910 BXHQUVAQRJEDHQ-UHFFFAOYSA-N 462.374 4.533 50 10 JJGE CSCC[C@H](Br)CCNC(=O)c1cc(Br)ccc1Br 2090385565 RLTGFULRXWIGAW-SECBINFHSA-N 474.056 4.848 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CCC[C@@H](CBr)CC1 2092327727 DSTNYELXJMJBII-SNVBAGLBSA-N 454.000 4.849 50 10 JJGE C[C@@H]1CC[C@@H](CBr)CN1C(=O)c1c(Br)cccc1Br 2094095406 LTZIBMYRZKTJRP-ZJUUUORDSA-N 454.000 4.847 50 10 JJGE C[C@H](c1cccs1)N(C)S(=O)(=O)c1cc(CBr)sc1Br 2179791968 ZFGJVJXQIJPVJN-MRVPVSSYSA-N 459.250 4.849 50 10 JJGE CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@H]2C[C@@H](Br)C2)cc1C(F)(F)F 2196909063 JFBYCYRIEFPXOP-KLPPZKSPSA-N 451.283 4.956 50 10 JJGE CC1(C)CN(C(=O)c2ccc(I)c(Cl)c2)C[C@@H]1CCBr 2238470305 MADXCBUGEDXTGY-NSHDSACASA-N 470.576 4.828 50 10 JJGE O=C(NC1(CBr)CCCCCC1)c1c(F)cccc1I 2282813133 YIWRIBZBMPXXKN-UHFFFAOYSA-N 454.121 4.648 50 10 JJGE O=C(NC[C@H]1CCC[C@H](CBr)C1)c1ccc(Cl)c(I)c1 2283651257 DWJRRYJDGBJWCW-QWRGUYRKSA-N 470.576 4.876 50 10 JJGE O=S1(=O)CCCC[C@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288348725 IICTVEQKGQCBPM-WPRPVWTQSA-N 496.993 4.893 50 10 JJGE N#CC(=Cc1cn(CC(=O)Nc2ccccc2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 2313568099 RGWHOZLOERDQRI-UHFFFAOYSA-N 489.579 4.536 50 10 JJGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccc(F)cc2)cc1 2328826135 FIOQOMWYOURYMY-NRFANRHFSA-N 475.586 4.501 50 10 JJGE O=C(c1cccc(Br)c1Br)N1[C@H]2CC[C@@H]1C[C@H]2CBr 2330468629 QDESYNMUFGDYQQ-SBMIAAHKSA-N 451.984 4.600 50 10 JJGE O=C(N[C@H](CBr)[C@H]1CC=CCC1)c1ccc(Cl)cc1I 2365585506 BQRSEWOZEWYLKG-IINYFYTJSA-N 468.560 4.794 50 10 JJGE CN(Cc1c(Br)cccc1Br)C(=O)N1CCC(Br)CC1 2366182579 IZAJOMHNTKPEHQ-UHFFFAOYSA-N 469.015 4.623 50 10 JJGE Cn1cc(I)c(CC(CCl)(CCl)c2ccc(Br)cc2)n1 2367620000 DSEUJONSJCBFPO-UHFFFAOYSA-N 487.994 4.745 50 10 JJGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2340818 HUGHCEGIPZTNPJ-BSSRNLCFSA-N 471.557 4.611 50 10 JJGE O=C(CNc1c(Br)cc(Cl)cc1Br)N/N=C/c1ccccc1F 3091078 GJZQXTQHCVQYFR-QPSGOUHRSA-N 463.532 4.566 50 10 JJGE COc1cc(C(=O)N(/N=C/c2ccco2)c2nc3ccc(F)cc3s2)cc(OC)c1OC 9148822 MIGJDGADBMWYKF-WYMPLXKRSA-N 455.467 4.735 50 10 JJGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1cccc(Cl)c1 12482970 WWKGNLABOGBKKZ-DNTJNYDQSA-N 460.553 4.703 50 10 JJGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 12580223 FHKCYZSMKLHOOY-MRXNPFEDSA-N 477.399 4.691 50 10 JJGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1 14037328 XPTNADJAGYZOGF-UHFFFAOYSA-N 491.613 4.640 50 10 JJGE CCOC(=O)COc1ccc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 39842932 WWLQQWJJKXNVOX-RQZCQDPDSA-N 465.487 4.733 50 10 JJGE Nc1c(NNC(=O)c2ccccc2Cl)ncnc1Nc1cc(C(F)(F)F)ccc1Cl 40682689 DGAZAWJVXLQFFL-UHFFFAOYSA-N 457.243 4.885 50 10 JJGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2)CCC3)c(OC)c1 40811658 HUORYPVPSUROBI-TURZUDJPSA-N 481.936 4.981 50 10 JJGE C/C(CC(=O)Nc1c(C)cc(C)cc1C)=N\NC(=O)COc1ccc(Br)cc1C 100969659 VQACHYNIPMZCSX-KOEQRZSOSA-N 460.372 4.582 50 10 JJGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1cccs1 252588361 ABEPJSLOIHETKM-UHFFFAOYSA-N 462.604 4.533 50 10 JJGE CN(C)C(Cl)=NC1=C(C#N)C(c2ccc(Cl)cc2)C(C#N)=C(N=C(Cl)N(C)C)S1 252617127 KMUFREVGSGGQCZ-UHFFFAOYSA-N 467.813 4.954 50 10 JJGE O=C(NN=C/C=C/c1ccccc1)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)NN=C/C=C/c1ccccc1 254626854 IFSARANVDOTMOA-KPOLJODZSA-N 493.523 4.609 50 10 JJGE C[C@@H](Cl)C[C@@H]1CCCN1C(=O)c1cc(I)ccc1Br 312011467 RVJAYKSMRGGTPP-KOLCDFICSA-N 456.549 4.676 50 10 JJGE ClCCc1nc2cc(I)ccc2n1[C@H]1CCN(Cc2ccccc2)C1 385145432 PIQPRYRHYFKUCF-KRWDZBQOSA-N 465.766 4.869 50 10 JJGE Fc1cc2c(cc1I)nc(CCCl)n2Cc1ccn(Cc2ccccc2)n1 389612769 NPBVRWXWXHYKEV-UHFFFAOYSA-N 494.739 4.854 50 10 JJGE C[C@@H]1CCN(c2ncc(C(F)(F)F)cc2I)C[C@@H]1CBr 686114450 PEYDXTCKRAHMLU-BDAKNGLRSA-N 463.079 4.562 50 10 JJGE CC(=O)N1CC[C@H](NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C)c3)c2C)c2ccccc21 1127176721 KKNQJMKSXLTNSP-WALVNQSHSA-N 452.558 4.924 50 10 JJGE C#CCNC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(Cl)c2)c1C 1357693647 GXMOQABDZJQIMN-ZHZULCJRSA-N 456.933 4.656 50 10 JJGE COc1cccc(O[C@H](C)C(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)c1 1772755824 FXEVBKBUJOPGJL-QGZVFWFLSA-N 468.937 4.854 50 10 JJGE COc1ccc(/C=C/C(=O)Nc2cccc(C(=O)Nc3ccc(SC#N)cc3)n2)cc1OC 1860560991 FHDOJDKFVXVDJN-NTUHNPAUSA-N 460.515 4.576 50 10 JJGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865694738 AKOWOJDHZNJQKT-HSZRJFAPSA-N 462.525 4.648 50 10 JJGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1865700250 NWLWPZAQWFKPIO-NRFANRHFSA-N 455.905 4.814 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccccc1C(=O)O)C(C#N)=C(N)O2 1865703973 JTDNHAHMGXXUHJ-LJQANCHMSA-N 479.334 4.504 50 10 JJGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)n1 1868277866 KZKXLCXYCIDPAW-UHFFFAOYSA-N 483.601 4.799 50 10 JJGE Cl[C@@H](c1csnc1Br)c1cc(I)cc2c1OCC2 1925247576 MCQRPINQLFAFIU-SNVBAGLBSA-N 456.530 4.773 50 10 JJGE C[C@@H]1C[C@@H](CBr)CCN1C(=O)c1csc(Br)c1Br 2052360332 PXAWJHZBPVPCJZ-SFYZADRCSA-N 460.029 4.909 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CC[C@H](CBr)C(F)(F)C1 2090184851 WJYJSXTXCRCJHQ-ZCFIWIBFSA-N 481.982 4.765 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC2(CC2)C[C@@H]1CBr 2099155009 YYFNLWGWFCZVDH-SECBINFHSA-N 451.984 4.601 50 10 JJGE CN(C(=O)c1cc(Br)ccc1I)C1(CCl)CCCC1 2113804434 NXFYJNOQJDUTLN-UHFFFAOYSA-N 456.549 4.677 50 10 JJGE O=C(N[C@@H]1CC[C@@H]2C[C@@]21CBr)c1ccc(Br)cc1Br 2132117577 XKUPNFRNCKKMMO-IHPUGEDLSA-N 451.984 4.505 50 10 JJGE CC(C)(C)[C@H](CCl)CNC(=O)c1ccc(Br)cc1I 2142280012 XVYCYDLACXFGCI-SECBINFHSA-N 458.565 4.685 50 10 JJGE CCCN(CCCBr)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2149424959 WZOZPFRLDFKQAH-UHFFFAOYSA-N 468.038 4.942 50 10 JJGE C[C@@H]1CN(S(=O)(=O)c2cc(CBr)c(Cl)cc2Cl)CCN1Cc1ccccc1 2179831572 YNRMOGMAWYENCF-CQSZACIVSA-N 492.266 4.783 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@@H](CBr)C12CCC2 2190364271 WLUGRKPFPRYCKE-NSHDSACASA-N 466.011 4.991 50 10 JJGE C[C@@H]1C[C@H](Br)[C@@H](C)N(C(=O)c2scc(Br)c2Br)C1 2220347237 FQUWHCCYZKAHRJ-PRJMDXOYSA-N 460.029 4.907 50 10 JJGE COc1cc(C)c([C@@H](Br)c2cc(I)sn2)c(OC)c1 2271515086 YQCYGVVRRFFFBJ-ZDUSSCGKSA-N 454.127 4.558 50 10 JJGE C[C@@H](Br)C(C)(C)CNC(=O)Cc1cc(Br)cc(Br)c1 2277926764 NFTSTVXKFGHWQP-SECBINFHSA-N 456.016 4.680 50 10 JJGE C[C@@H]1C[C@@H](Br)[C@@H](C)N(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295312881 BYWPSAMACXBBRJ-GPCCPHFNSA-N 468.027 4.775 50 10 JJGE BrCc1cnc(OCc2ccc(I)c(Br)c2)s1 2306301663 QFVGMWZOWZTNKI-UHFFFAOYSA-N 488.970 4.984 50 10 JJGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(CC)cc1 2314593884 VMUHZOLUXSTMFU-NRFANRHFSA-N 485.531 4.996 50 10 JJGE CC(C)[C@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)OCO3)cs1)N1C(=O)c2ccccc2C1=O 2331333848 IGXYCHSAWBHXCT-OAQYLSRUSA-N 473.510 4.652 50 10 JJGE C[C@@]1(CNC(=O)c2ccc(Cl)cc2I)CCC[C@H]1Br 2340055782 BBSMSJQBCFEVDQ-OCCSQVGLSA-N 456.549 4.628 50 10 JJGE COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1Br 33929965 MTAFMBFXBVXARQ-SDQBBNPISA-N 495.127 4.983 50 10 JJGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812028 RKHKKZJROPZDRB-ZZOIYXRJSA-N 475.520 4.885 50 10 JJGE Cc1c(C(=O)N(C)c2ccccc2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825846 WOEJMYLMAZIYSN-XHLNEMQHSA-N 452.514 4.883 50 10 JJGE CCOCCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(C(C)(C)C)cc2)nc2c(C)cccn2c1=O 102846926 VHNYHJNMKIDPKK-JZJYNLBNSA-N 488.588 4.543 50 10 JJGE CCCN1C(=O)N[C@@H](c2cccc(NC(=O)C(Cl)Cl)c2)C(C(=O)OCC)=C1c1ccccc1 103199350 SMIIJKHYBQMPGX-IBGZPJMESA-N 490.387 4.880 50 10 JJGE O=S(=O)(N[C@@H]1CCCCC[C@H]1Br)c1cc(Br)ccc1Br 136210014 DHZNNUWVRWSPPV-ZYHUDNBSSA-N 490.055 4.586 50 10 JJGE CCCOc1c(Br)cc(/C=N/NC(=O)c2cc3ccccc3n2C)cc1OCC 169926130 AGKAAVCYAFHAHN-ZVHZXABRSA-N 458.356 4.892 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(C)cc1 206690990 HJACKINSZLNBEU-FUUQXKQNSA-N 456.498 4.829 50 10 JJGE O=C(NCC1(CBr)CCCC1)c1ccc(I)c(Cl)c1 232349522 CBOUSPQYAIMLIS-UHFFFAOYSA-N 456.549 4.630 50 10 JJGE C[C@H](CCCCBr)NC(=O)c1cc(I)ccc1Br 398782561 MSJYAOVDVOWLMR-SECBINFHSA-N 488.989 4.737 50 10 JJGE CC(C)(C)C[C@@H](Cl)CNC(=O)c1ccc(I)c(Br)c1 721617283 GXSHQWBHEMREIR-SNVBAGLBSA-N 458.565 4.827 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)c(-c2ccccc2)n1 761414135 DCTMBQDBIUFFGJ-AQTBWJFISA-N 493.445 4.571 50 10 JJGE COc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1 916244177 NWEHEPXSWJPIOU-UHFFFAOYSA-N 484.306 4.709 50 10 JJGE COc1ccccc1C=NNC(=O)c1scc2c1NC(=O)C2(c1ccccc1)c1ccccc1 1082895715 WLNMKXOLRISZKK-UHFFFAOYSA-N 467.550 4.807 50 10 JJGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 1083984073 YMBZXPHGTCWZAJ-QFIPXVFZSA-N 497.935 4.800 50 10 JJGE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NNc1ncccc1C 1447728472 OCOOCDZYBHXSCQ-XMMPIXPASA-N 456.546 4.707 50 10 JJGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1OC 1615099346 IJYBBXHREYFXBH-GIJQJNRQSA-N 475.413 4.804 50 10 JJGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1Cl)CCC2 1772743506 ANDMZFGHEMCCCP-UHFFFAOYSA-N 479.920 4.751 50 10 JJGE CCOc1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccccc2Cl)c(OC)c1 1772752900 VXGQSIJNTQHJQE-UHFFFAOYSA-N 468.937 4.855 50 10 JJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865692933 QDSFITZWJBGMOW-NRFANRHFSA-N 471.344 4.782 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865705972 KYFVZXGJRSTIJM-RUZDIDTESA-N 494.551 4.848 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)COc4ccc(Cl)cc43)n2)cc1 1872745943 KVSFAQNEQHHJDR-MNDPQUGUSA-N 453.907 4.690 50 10 JJGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)CC1=O 1872753140 IPWNQXVUUJHLHP-BHQWEUPHSA-N 484.537 4.924 50 10 JJGE N#C/C(=C(/O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(F)cc2F)cs1 1872817933 DQRGXYSQWPESGE-CYVLTUHYSA-N 496.451 4.866 50 10 JJGE CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCCSSCCNC(=O)OC(C)(C)C 2010826500 CKSWOKSZSQHNJU-QZTJIDSGSA-N 477.737 4.908 50 10 JJGE CCN(C[C@](C)(CI)OCCCOC(C)(C)C)C(=O)OC(C)(C)C 2010930879 XWHXEKSNIGGMOJ-SFHVURJKSA-N 457.393 4.659 50 10 JJGE BrCC[C@H]1CN(Cc2cc(Br)ccc2Br)CCS1 2054712692 ISQJXTIFOZJALJ-LBPRGKRZSA-N 458.057 4.914 50 10 JJGE CC1(C)C[C@@H](CBr)CN1C(=O)c1scc(Br)c1Br 2064383932 YZNHOSJLLKTKPO-ZETCQYMHSA-N 460.029 4.909 50 10 JJGE CCN1CCC[C@@H]([C@H](Br)c2cc(Br)c(Br)s2)S1(=O)=O 2089534878 ILZIIPCGQXQJBO-VHSXEESVSA-N 496.084 4.523 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 2094587285 KBTKJPMSHAATBL-XHNCKOQMSA-N 472.040 4.909 50 10 JJGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1cc(Br)ccc1Br 2104409720 AAPSDXFNXAUYTE-BCWBERDBSA-N 451.984 4.503 50 10 JJGE Fc1cc(Br)cc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1CBr 2114266944 ZZJNVCIUZKTIES-UXHICEINSA-N 484.207 4.573 50 10 JJGE O=C(NC[C@]1(CBr)CC12CCC2)c1cccc(Br)c1Br 2154180914 OQNZNEZIBBNBMU-OAHLLOKOSA-N 466.011 4.897 50 10 JJGE CC(C)(C)C[C@H](CBr)CNC(=O)c1cccc(F)c1I 2156337245 SHYQDXFZYKNEPR-SNVBAGLBSA-N 456.137 4.607 50 10 JJGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1F 2179862871 DBJBXYYZHCVAOC-UHFFFAOYSA-N 478.811 4.992 50 10 JJGE COc1cc(F)c(Br)cc1[C@H](Br)c1c(C)nn(C)c1Br 2185752873 XARXUXYBWBBYOP-LBPRGKRZSA-N 470.962 4.886 50 10 JJGE CN(C(=O)c1ccc(I)c(Cl)c1)[C@H](CBr)CC1CC1 2226160140 LSUWTQAAOHUHKA-NSHDSACASA-N 456.549 4.580 50 10 JJGE Cc1ccc(C(=O)N(C)C[C@H](Br)C2CCCC2)cc1I 2232831377 RRJOFRBDBWAULP-AWEZNQCLSA-N 450.158 4.625 50 10 JJGE CC(C)(C)OC(=O)NC[C@@](C)(CBr)OCc1ccc(Br)cc1F 2243290865 QWDQGTMGJUESQV-MRXNPFEDSA-N 455.162 4.783 50 10 JJGE CC[C@H](C)[C@H](CI)NCc1ccc(Cl)c(I)c1 2300238915 QWCOKFPTBGBCPR-ZANVPECISA-N 477.555 4.884 50 10 JJGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(C)c(C)c1 2314593833 ULXWYGXQDZMKLN-OAQYLSRUSA-N 451.979 4.685 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OC)c(OCc2ccccc2)c1 2328821169 WZWOEGPGBIYJLA-MBSDFSHPSA-N 469.582 4.664 50 10 JJGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)CCCN2C(=O)c3ccccc3C2=O)n1 2331323039 WOQSKIKDICZUGY-UHFFFAOYSA-N 459.527 4.996 50 10 JJGE C[C@H]1[C@H](C)N(C(=O)c2ccc(I)c(Br)c2)CC[C@H]1Cl 2344520843 PVRCFCVTELRDIV-HOTUBEGUSA-N 456.549 4.532 50 10 JJGE C[C@H]1CCCN(C(=O)c2ccc(Cl)cc2I)[C@H]1CCBr 2365592701 PHOCIGCHPYDLKH-HZMBPMFUSA-N 470.576 4.970 50 10 JJGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@@H]1CN(CC1(CBr)CC(F)C1)C2 2370148733 FTYKEMAOEVQGOR-QQOVODFUSA-N 455.359 4.514 50 10 JJGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(C(=O)OC)cc1 12584450 ZIGFSOGWGCINCA-CPNJWEJPSA-N 460.511 4.924 50 10 JJGE Cc1ccc(NCC(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccccc2)cc1 32939158 CHQPVGOGPCTTMY-WGARJPEWSA-N 466.335 4.539 50 10 JJGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc21 38681349 PWQFYOPMKHCUMG-SANMLTNESA-N 456.498 4.678 50 10 JJGE Cc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1)CC3 39881550 LOAMHMDQPIREIB-UHFFFAOYSA-N 456.933 4.966 50 10 JJGE O=C1CCc2cc([C@@H](Br)c3ccccc3I)c(F)cc2N1 40289432 ZSCAUHVHBAGSHL-INIZCTEOSA-N 460.084 4.799 50 10 JJGE CC(=O)N1c2ccc(Br)cc2[C@](C)(Br)[C@H](Br)C1(C)C 59500808 KMIRVZDNLKTFKA-OCCSQVGLSA-N 454.000 4.968 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 101336405 ORTFIDWXDWFDGZ-AFUMVMLFSA-N 489.510 4.866 50 10 JJGE CNC(=O)/C(C#N)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1 102974564 KDPVOQVDZBEXIZ-AWZALFRUSA-N 466.777 4.819 50 10 JJGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OCC)cc1 206687476 DTTYNBOOUBUMTA-XHMSLRDHSA-N 486.524 4.919 50 10 JJGE BrCc1ccc(N2CC[C@@H](N3CCN(Cc4ccccc4)CC3)C2)cc1Br 380052037 CMQVTLQGDFHPMI-OAQYLSRUSA-N 493.287 4.741 50 10 JJGE CC1(C)CC[C@@H](CCl)N(C(=O)c2ccc(I)c(Br)c2)C1 721505477 BCXBVXUGCUTOSS-NSHDSACASA-N 470.576 4.923 50 10 JJGE Cc1cc(C=NNC(=O)c2ccc(CN3CCOCC3)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 725386278 PFXDGAJOAFBQJA-UHFFFAOYSA-N 485.415 4.997 50 10 JJGE O=C(NNc1ccc(F)c(F)c1F)c1cccc(NC(=O)c2ccc(Br)cc2)c1 728715411 DBYZEVOWMVJVOR-UHFFFAOYSA-N 464.241 4.876 50 10 JJGE C=CCO[C@H]1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)C1 1536716175 ZPARTXAYXJXHFS-JJEHFPDLSA-N 454.368 4.567 50 10 JJGE C/C(=C\C(=O)NNC(=O)[C@@H](C)Oc1c(C)cc(Cl)cc1C)c1ccccc1OC(F)F 1538419709 SPKYKUSGCZIPGO-AYJWMTRPSA-N 452.885 4.576 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OC)cc1)C(C#N)=C(N)O2 1865715090 VXTAWNYFQVUMTP-NRFANRHFSA-N 452.917 4.903 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1OC 1872745681 YCEUDXGNHJZTCK-HBBKMXGMSA-N 489.553 4.941 50 10 JJGE CC[C@H](C)[C@@H](CI)NC(=O)c1cc(Br)ccc1Br 2081235159 CEOKJRCJUADGKQ-QPUJVOFHSA-N 488.989 4.791 50 10 JJGE ClCc1ccc(Br)c(Cl)c1N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2098113033 COKVKLRRSMNNRX-MSOLQXFVSA-N 456.211 4.931 50 10 JJGE BrCc1ccc(Br)cc1N1CC[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2129054758 QEALTJTUCXZGCY-NHCUHLMSSA-N 480.244 4.824 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CCCC[C@@H](CCl)C1 2142288404 KDCGTFJQXGJNMW-JTQLQIEISA-N 456.549 4.535 50 10 JJGE O=C(N[C@H]1CC[C@@H](CCl)CC1)c1ccc(Br)cc1I 2142288663 LVAZUFSCFQDKQB-JGZJWPJOSA-N 456.549 4.581 50 10 JJGE Cc1cccc(C(=O)N(C)C[C@H](Br)C2CCCC2)c1I 2167648557 WOWGRGMNCVENEL-AWEZNQCLSA-N 450.158 4.625 50 10 JJGE COc1cc(NCCSSCCNC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1Br 2202460511 JHUSZEWXIBJRRZ-UHFFFAOYSA-N 482.422 4.684 50 10 JJGE C[C@@H]1C[C@@H](C(F)(F)F)N(CCCCCI)CCN1C(=O)OC(C)(C)C 2220215472 NVBITEVZFIABEU-KGLIPLIRSA-N 478.337 4.854 50 10 JJGE CC(C)(C)OC(=O)N[C@@H]1CN(CCCCI)C2(CCCCCC2)C1 2248241985 QXLGCQYKUWUZAQ-INIZCTEOSA-N 450.405 4.894 50 10 JJGE O=C(N[C@H](CBr)C1CCCCC1)c1c(F)cccc1I 2282766847 OSRLNVAQEBXSCF-CYBMUJFWSA-N 454.121 4.504 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H]2CCC[C@H](Br)[C@H]2C1 2283652994 BIZCDVUFWHIOMR-SRVKXCTJSA-N 468.560 4.580 50 10 JJGE CN(C(=O)c1ccc(Cl)c(I)c1)C1(CBr)CC(C)(C)C1 2283656192 XPFDQXSASPZYPD-UHFFFAOYSA-N 470.576 4.970 50 10 JJGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc([N+](=O)[O-])c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2293038930 JKPHDDATYPIXDW-HSZRJFAPSA-N 484.537 4.968 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1[C@H](CBr)[C@H]2CC[C@@H]1C2 2295314041 SJFWGZQMIXPSOU-ZLKJLUDKSA-N 466.011 4.529 50 10 JJGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc1OC 2313518715 PKMZSYHFVNGQOQ-UHFFFAOYSA-N 474.298 4.719 50 10 JJGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)C(C)=C(C#N)C1=O 2314616854 LCTIEDGJEJBOIJ-SFHVURJKSA-N 476.536 4.641 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 2314618510 ORTFIDWXDWFDGZ-UHFFFAOYSA-N 489.510 4.866 50 10 JJGE Cc1c(OC(=O)C(Cl)Cl)ccc2c1OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2323763204 ZDAVDDOGJDKQEX-UHFFFAOYSA-N 455.677 4.840 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1C[C@H]2CC[C@H]1C[C@@]2(C)NC(=O)OC(C)(C)C 2327661999 BNWDXWCQKRGEPQ-DDOIHHOZSA-N 489.748 4.954 50 10 JJGE O=C(c1ccc([N+](=O)[O-])o1)N(/N=C/c1ccco1)c1nc2ccc(Br)cc2s1 9148599 ZVVMADANQWGUAN-DJKKODMXSA-N 461.253 4.834 50 10 JJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Br)cc2C)cc1 14643335 SWAJPWUIJGHJST-WMLDXEAASA-N 477.399 4.573 50 10 JJGE CCCOc1ccccc1/C=N/NC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 15015372 PRBMWWYOCVGUGL-MLSMDGLASA-N 453.542 4.953 50 10 JJGE Cc1cccc(OCCNC(=S)SSC(=S)NCCOc2cccc(C)c2)c1 20408383 TXQIOTKUQDZJLZ-UHFFFAOYSA-N 452.692 4.892 50 10 JJGE COc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)c1 39993068 GSGKDMUXUJWSIN-XMHGGMMESA-N 466.497 4.658 50 10 JJGE Cc1cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1sc2c(c1C#N)CCCC2 58888413 FXEQXEOXEDMYCA-GRIZMQLISA-N 460.603 4.870 50 10 JJGE CC(C)(C)OC(=O)NC1(C(=O)OCCl)CCC2(CCN(C(=O)OCc3ccccc3)CC2)CC1 616574424 ZXPHSOQQGWDAGC-UHFFFAOYSA-N 495.016 4.982 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CCCC[C@@H](CCl)C1 696797439 UFKAYBRCEORKFC-JTQLQIEISA-N 456.549 4.535 50 10 JJGE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1c(Cl)cccc1Cl 727860820 PDTJKDKDUMNSNV-MRXNPFEDSA-N 491.202 4.906 50 10 JJGE O=C(NNC(=O)C1(c2ccccc2Cl)CCOCC1)c1ccccc1OCc1ccc(F)cc1 730468657 DXMIAGQZQROHSE-UHFFFAOYSA-N 482.939 4.568 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2cccc(CN3CCSCC3)c2)c(-c2ccccc2)n1 747191460 HJCFJOGGRYPEFM-QJOMJCCJSA-N 482.613 4.558 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)N2CCCc3ccccc32)c(-c2ccc(Cl)cc2)n1 782094179 DIFXPLJAPJXLPX-RCCKNPSSSA-N 499.958 4.547 50 10 JJGE O=C(NN=Cc1ccc(O)cc1O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 1084091329 WYQMXYWOCFZNMP-UHFFFAOYSA-N 465.509 4.632 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)Cc2cccc3ccccc23)cc1 1084556710 BTEFRDHDYWSCQK-UHFFFAOYSA-N 458.539 4.609 50 10 JJGE CC(=O)c1ccc(C(=O)NNc2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)c(F)c1 1124084738 VZKWMHWWWQWWAS-UHFFFAOYSA-N 454.523 4.741 50 10 JJGE C/C(=C\C(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccccc1C(F)(F)F 1295314860 RHWVIKHEARWLBJ-ZHACJKMWSA-N 452.376 4.546 50 10 JJGE C=C(C)Cn1c(SCC(=O)NN(Cc2ccccc2)c2ccccc2)nnc1-c1ccco1 1354146698 UEFMWMFMRZMXLZ-UHFFFAOYSA-N 459.575 4.944 50 10 JJGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4nc5ccccc5s4)c(C)c32)cc1 1772745564 FENJGTUHEBZUFO-UHFFFAOYSA-N 474.542 4.929 50 10 JJGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)c1ccc(F)c(F)c1F 1865759421 ZLFSIISGXLZBHF-UHFFFAOYSA-N 454.235 4.856 50 10 JJGE CC(C)NCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@H]1Br 1887832118 AEHJFZVXZZSTIF-CMPLNLGQSA-N 456.016 4.872 50 10 JJGE O=C(NCC[C@@H]1CCC[C@H]1Cl)c1cc(Br)ccc1I 1913715205 QZECUPJXYOFALG-JOYOIKCWSA-N 456.549 4.581 50 10 JJGE Fc1cc2c(cc1I)nc(CCl)n2-c1csnc1Br 1926862103 ORCDHRALOKQZCG-UHFFFAOYSA-N 472.508 4.727 50 10 JJGE C[C@H](NC(=O)c1csc(Br)c1Br)[C@H]1CCC[C@@H]1Br 2048890629 GQSUOSONFPZNCV-OOZYFLPDSA-N 460.029 4.955 50 10 JJGE Oc1nc2cc([C@@H](Br)c3cc(Br)sn3)c(Br)cc2[nH]1 2120038720 KGOKIUPGXUHNKO-SNVBAGLBSA-N 467.968 4.734 50 10 JJGE CC(C)[C@@H](Br)c1cn(Cc2ccc(Br)cc2Br)nn1 2121068201 MOSSKZOBXMFVSP-CYBMUJFWSA-N 451.988 4.943 50 10 JJGE Cl[C@@H]1CC[C@@H]2CCN(c3ncc(I)cc3Br)C[C@H]2C1 2139262912 SMGANZZAFZQLKZ-GMTAPVOTSA-N 455.565 4.683 50 10 JJGE Cc1cccc(C(=O)N2CCC[C@H]2C(C)(C)CBr)c1I 2155824705 NXSVYYWISYJTKV-ZDUSSCGKSA-N 450.158 4.625 50 10 JJGE O=S(=O)(N[C@H](CBr)c1cccs1)c1c(Cl)cccc1Br 2175669251 PTWBZFKBYCBLCT-SNVBAGLBSA-N 459.612 4.579 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC2(CBr)CCC1CC2 2178888012 QKYMYNKXBOZPJC-UHFFFAOYSA-N 466.011 4.991 50 10 JJGE CC[C@@H]1[C@H](CBr)CCN1C(=O)c1ccc(Cl)c(I)c1 2268346445 QKUACJLPRVRYFW-GXFFZTMASA-N 456.549 4.580 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@]12CC[S@@](=O)(=NCCCCCCCBr)C2 2277455006 LNFGCFKEYSESOU-SIBVEZHUSA-N 451.471 4.973 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1ccc(Cl)c(I)c1 2283668747 ZSJQSOUBRSFHEZ-CBRVECNMSA-N 468.560 4.627 50 10 JJGE CCN(C(=O)Cc1cc(Br)cc(Br)c1)[C@@H]1CCC[C@@H]1Br 2295313962 RGSHTKOPURYENR-UONOGXRCSA-N 468.027 4.919 50 10 JJGE C=CC[C@@](C)(CBr)CNC(=O)Cc1cc(Br)cc(Br)c1 2295315932 RNSWDQDXFQMOIL-HNNXBMFYSA-N 468.027 4.848 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)cc1OC 2331242359 SJOVYQFIRJALFF-UHFFFAOYSA-N 475.526 4.782 50 10 JJGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)CC1=O 2331259397 YIONDHBQDGKBFJ-KRWDZBQOSA-N 489.553 4.760 50 10 JJGE C[C@@H](Br)CCCN(C)c1ncc(C(F)(F)F)cc1I 2336158504 GTAHETFMBDTEOJ-MRVPVSSYSA-N 451.068 4.705 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@H]2CC[C@H]1C[C@H]2Br 2337160887 YPAORORIHPVSOF-VDDIYKPWSA-N 451.984 4.600 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H]2CC(Br)C[C@@H](C2)C1 2338807979 NAUPEGPZWVYDRF-HTQZYQBOSA-N 472.040 4.909 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]([S@](C)(=O)=NC[C@](C)(CBr)C(C)(C)C)C1 2352081469 NWKPWSRIOMKWHJ-BYXUUWECSA-N 453.487 4.931 50 10 JJGE COc1ccc(CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Br)c(C(F)(F)F)c1 2364638242 QSMXVIKLBYXCRY-HUUCEWRRSA-N 454.283 4.613 50 10 JJGE O=C(NC[C@@]12CCC[C@@]1(CBr)C2)c1ccc(Cl)cc1I 2365591034 DSNMLUDLZKTDDW-GJZGRUSLSA-N 468.560 4.630 50 10 JJGE O=C(N[C@@H]1C[C@@H](CBr)C12CCC2)c1ccc(Cl)cc1I 2379721384 VIYRFPZKCHYNKP-TVQRCGJNSA-N 468.560 4.628 50 10 JJGE CCOc1cc(C=NNC(=O)c2nn(C)cc2Br)ccc1OCc1ccccc1Cl 13108455 IVDLLDPYBLVDJE-UHFFFAOYSA-N 491.773 4.578 50 10 JJGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14029941 RYMHTCIBNIBHNH-UHFFFAOYSA-N 477.399 4.766 50 10 JJGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1-c1ccccc1 14666888 FTRXWIQXOPTZCZ-UHFFFAOYSA-N 497.389 4.991 50 10 JJGE COc1ccc(N[C@@H](C)C(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)cc1 15974097 QMOIYTIUVMMHAZ-KRWDZBQOSA-N 482.378 4.987 50 10 JJGE aggregator COc1ccccc1OCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)NCc1ccco1 33404323 JNSPNESWSUHIOR-AQTBWJFISA-N 497.345 4.732 50 10 JJGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 38654986 TWDRMZGMPFCMNT-CPJLOUKISA-N 485.496 4.748 50 10 JJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1 38658046 NQFVQGITODYNTR-MHZLTWQESA-N 468.509 4.762 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1OC 38659456 ZZQAAJKOHRSAER-RUZDIDTESA-N 472.497 4.540 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1OC 38659490 QCADRQSPZLBNQW-MHZLTWQESA-N 486.524 4.605 50 10 JJGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1 38680323 XBVVWWCJCFJLPI-HSZRJFAPSA-N 480.879 4.690 50 10 JJGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)c1 38684854 KMBFSDBAPFOYLC-VWLOTQADSA-N 476.916 4.941 50 10 JJGE CCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OCC 40514695 VSZLOALAXPZDCV-HYARGMPZSA-N 460.530 4.675 50 10 JJGE O=C(NNc1ncnc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40646586 YLVVKHQJAJTKLS-UHFFFAOYSA-N 498.670 4.754 50 10 JJGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] 40648640 NRZSEKKVEJCPCP-UHFFFAOYSA-N 483.699 4.611 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)cc1C 40812187 LAQMCXFUXSUNIN-NHFJDJAPSA-N 460.490 4.836 50 10 JJGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cccc(F)c2)cc1I 59152027 RIBFLTLNEDDNPP-LGJNPRDNSA-N 499.283 4.645 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1O 59336263 HGMSYVHVNGAXMC-YHYXMXQVSA-N 489.096 4.858 50 10 JJGE CC(=NNC(=O)c1ccc(Br)o1)c1ccc(NC(=O)/C=C\c2ccccc2)cc1 254853243 GEPGIFOXEGFGFR-NKLHYHTQSA-N 452.308 4.848 50 10 JJGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2CC[C@@H](Cl)C[C@H]2C1 398792496 OEDPQCHQXRUWIJ-GARJFASQSA-N 468.560 4.533 50 10 JJGE O=C(CBr)c1cc(I)cc(C(F)(F)F)c1Br 575693951 FKHYMNAMVPTSQQ-UHFFFAOYSA-N 471.836 4.650 50 10 JJGE BrCc1cc(Br)c(OCCOC[C@@H]2CCCO2)c(Br)c1 693117377 SCHWUTNNYISQNU-NSHDSACASA-N 472.999 4.681 50 10 JJGE Cc1sc([C@H](Br)c2cnn(C)c2I)c(C)c1Br 724925980 XYXJBVWWYDGVLZ-SECBINFHSA-N 490.002 4.950 50 10 JJGE COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 914472071 HCZRHYVCEADWIR-TYSUYXETSA-N 459.937 4.910 50 10 JJGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2ccc(Cl)cc2Cl)c1C 1084100450 KVBVEZDWHXEJRK-UHFFFAOYSA-N 473.360 4.888 50 10 JJGE C#Cc1cccc(NC(=S)NNC(=O)C2(c3cccc(Br)c3)CCCCC2)c1 1303281165 XMMSOJVOGYTHHV-UHFFFAOYSA-N 456.409 4.650 50 10 JJGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865689127 KPPCXDFZJLRQIO-XMMPIXPASA-N 458.562 4.899 50 10 JJGE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702602 XQVPLNMEROJXKH-IBGZPJMESA-N 453.315 4.863 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc(OC)c1O 1865715072 VAZFGRZVGUVCDL-HSZRJFAPSA-N 498.514 4.678 50 10 JJGE COc1ccc(OC)c(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)c1 1865759793 SJYQFMTZQBZNLC-NYYWCZLTSA-N 486.355 4.855 50 10 JJGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)c1cncc(Br)c1 1865759917 YJHVEDHWSPLNBG-UHFFFAOYSA-N 480.149 4.596 50 10 JJGE Brc1ccc(I)cc1COC[C@H]1C[C@@H](Br)C1 1902301865 OKYRQUPZBVBPSX-WAAGHKOSSA-N 459.947 4.744 50 10 JJGE O=C(NC[C@H]1CC[C@H](CCl)CC1)c1cc(Br)ccc1I 1922675479 ZWNCGVLSYVCLBA-XYPYZODXSA-N 470.576 4.829 50 10 JJGE Cc1ccnc(CC(CBr)(CBr)C2CCOCC2)c1Br 1926845035 MJBJKTCUKWCUJF-UHFFFAOYSA-N 470.043 4.898 50 10 JJGE CCc1cc(Br)c([C@@H](Br)c2cnn(C)c2I)s1 1942102763 XFKGLMLDAWGISW-VIFPVBQESA-N 490.002 4.895 50 10 JJGE CC1(C)CC[C@@H](CBr)N(c2ncc(I)cc2Br)C1 2069528023 IIYNNRVIKIYAMH-JTQLQIEISA-N 488.005 4.839 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H]2[C@@H](Br)CCC[C@H]2C1 2094595518 SDMHDVGRDZYJMS-YIZRAAEISA-N 472.040 4.909 50 10 JJGE CC1(C)C[C@@H](Br)C[C@H](NC(=O)c2cc(I)ccc2F)C1 2169668094 MIJCXQKTTUMAJT-ONGXEEELSA-N 454.121 4.502 50 10 JJGE CN(C(=O)c1ccc(F)cc1I)[C@H]1CCCCC[C@H]1Br 2172545880 BKYJLDXOINSWCA-OCCSQVGLSA-N 454.121 4.599 50 10 JJGE O=C(N[C@]1(CBr)C[C@H]2CC[C@H]1C2)c1cccc(Br)c1Br 2283918350 FSSBTZULYLYDMV-YHAQOWFVSA-N 466.011 4.895 50 10 JJGE CS(=O)(=O)[C@H]1C[C@H]([C@H](Br)c2scc(C(F)(F)F)c2Br)C1 2285280680 LKSZKKJLXDDWLT-HAFWLYHUSA-N 456.143 4.789 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)cc(Br)c1OCc1ccccc1 2294175281 SAJVSSRSWPLLAP-UHFFFAOYSA-N 467.319 4.853 50 10 JJGE CCN(C[C@](C)(CI)OCc1ccc(C)c(C)n1)C(=O)OC(C)(C)C 2319115663 XVGYQYQSALDBPO-IBGZPJMESA-N 462.372 4.666 50 10 JJGE CC1(C)[C@@H](Br)CC[C@@H]1NC(=O)c1ccc(Cl)cc1I 2340060552 DJWICRBSAFDEFA-RYUDHWBXSA-N 456.549 4.627 50 10 JJGE O=C(COc1ccc2ccccc2c1)N/N=C/c1cc(Br)c(O)c(Br)c1 3092305 XRSHXMMWCCJHFA-LSHDLFTRSA-N 478.140 4.600 50 10 JJGE CCC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 8905722 RDGJFPSOSIREGJ-UHFFFAOYSA-N 473.573 4.775 50 10 JJGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)c1ccc(OC)c(Br)c1 10683408 UYMCUZAPBWLHAG-RDTXWAMCSA-N 463.372 4.590 50 10 JJGE Cc1cc(OCC(=O)NNC(=O)Cc2cccc3ccccc23)c(C(C)C)cc1Br 12492793 VMKQVEPSBICMRY-UHFFFAOYSA-N 469.379 4.803 50 10 JJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)cc2)cc1 14041593 RHJWEHABYUQTIV-UHFFFAOYSA-N 493.563 4.944 50 10 JJGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1C(C)(C)C 14668119 XUWDWGNTSDOANX-MRXNPFEDSA-N 491.426 4.865 50 10 JJGE Cc1cc(OCC(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)ccc1Cl 22637203 WFDGWKZNJJZKFQ-NFFVHWSESA-N 468.340 4.748 50 10 JJGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 33939123 AKMBCNORJCHCRQ-KSEXSDGBSA-N 452.558 4.562 50 10 JJGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2F)cc1 38652255 POUNQEUSLBVVCF-IVCQMTBJSA-N 458.489 4.979 50 10 JJGE O=C(NNc1ncnc(Nc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-])c1ccccc1Cl 40648738 DOWDBYCCJODMAC-UHFFFAOYSA-N 452.780 4.558 50 10 JJGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)c1 40825738 FRXKMKIBVXVPCO-AJBULDERSA-N 498.539 4.876 50 10 JJGE Cc1ccc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)c(Br)c1 40930106 ORXSHUNADIBZIS-LDADJPATSA-N 495.329 4.558 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1 58893709 WPMQIGNIWUZVCR-RWJNZEQESA-N 477.517 4.536 50 10 JJGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 101340000 FYGUZOQJNRVMNH-FYJGNVAPSA-N 469.453 4.656 50 10 JJGE O=C(NC[C@@H]1CCCC[C@@H]1Cl)c1cc(I)ccc1Br 236029261 KZAYSDWDRGFAQL-ZANVPECISA-N 456.549 4.581 50 10 JJGE CC(=NNC(=O)c1cnn2c(C)cc(-c3ccccc3)nc12)c1ccc(NC(=O)c2ccncc2)cc1 252591630 BBQZLPXQDPEXSH-UHFFFAOYSA-N 489.539 4.506 50 10 JJGE C=CCn1c(SCC(=O)NNc2ccc(Cl)cc2)nnc1C12CC3CC(CC(C3)C1)C2 253563653 FQTQXMCDQVDXOR-UHFFFAOYSA-N 458.031 4.821 50 10 JJGE CCCCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1 254304274 QHKGTLRXXBTYNS-UHFFFAOYSA-N 460.530 4.786 50 10 JJGE Cc1ccc2cc(C=NNC(=O)c3nn(Cc4ccccc4)c(=O)c4ccccc34)c(Cl)nc2c1 254557368 UMYJJTHFWVETPV-UHFFFAOYSA-N 481.943 4.719 50 10 JJGE COc1ccc(OC)c(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Cl)cc2Cl)c1 254710379 DXNIMLZARDLOPF-QGSUJEDUSA-N 498.366 4.932 50 10 JJGE O=C(N[C@H](CCl)C1CCCC1)c1cc(I)ccc1Br 385987314 AGXRTEXUDTVATD-CYBMUJFWSA-N 456.549 4.581 50 10 JJGE Cc1cc(C)cc(NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1 853447614 IEJJHWYZTGXTLD-QCBCRBAMSA-N 467.529 4.558 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc(F)c3)cc2)cc1 1084269562 WZDHWDFXIGCTIL-VWLOTQADSA-N 450.510 4.767 50 10 JJGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1C(=NNC(=O)c1ccco1)CCC2 1772747220 MVRFNRZJEYQOLM-UHFFFAOYSA-N 456.296 4.666 50 10 JJGE Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751640 VRBAGOIHJSMPTM-UHFFFAOYSA-N 466.541 4.879 50 10 JJGE C[C@H](C(=O)N/N=C\c1cccc(OCc2ccccc2)c1)n1cnc2sc3c(c2c1=O)CCCC3 1860774358 SVOMJDPFQQQFOP-AQCJKUNZSA-N 486.597 4.627 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1865680261 FGOAGOCBCYYZAI-OAQYLSRUSA-N 456.889 4.822 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OC)c(O)c1)C(C#N)=C(N)O2 1865682547 RCGHVHKJHZYBFC-OAQYLSRUSA-N 468.916 4.609 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1OCC 1865688998 HENRBOUSUYTWMF-JOCHJYFZSA-N 450.926 4.850 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)ccc1O 1865706484 XSMVHVNMNHUEKP-HSZRJFAPSA-N 468.488 4.670 50 10 JJGE COc1cccc(-c2ccc(C(=O)NNC(=O)c3ccc(OCc4ccccc4)cc3)c(C)n2)c1 1865758859 VLSHQFYOYZOHKW-UHFFFAOYSA-N 467.525 4.719 50 10 JJGE CC(C)[C@@H](/C(O)=C(\C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1C(=O)c2ccccc2C1=O 1873941131 XSDSTGJZXCSLEG-HUZQBFDWSA-N 474.498 4.832 50 10 JJGE O=C(c1csc(Br)c1Br)N1CC[C@H](C(F)(F)CBr)C1 1892701182 SQQGNHOMGISZOQ-LURJTMIESA-N 481.982 4.765 50 10 JJGE ClCC=CCOc1c(I)cc(Cl)cc1I 1907805092 INLZPHDFEXPZSE-UHFFFAOYSA-N 468.887 4.723 50 10 JJGE CC[C@@H](C)[C@H](CBr)NC(=O)c1cc(Br)ccc1I 2081239551 UGCXBNNOAOAFKQ-PELKAZGASA-N 488.989 4.593 50 10 JJGE CCN(C[C@](C)(CI)OCc1cc(F)cc(F)c1)C(=O)OC(C)(C)C 2083847396 JOPBHXUJZZNTKW-SFHVURJKSA-N 469.310 4.932 50 10 JJGE C[C@@H]1C[C@H](CBr)CN(C(=O)c2c(Br)cccc2Br)C1 2094092766 JGOYZVUKPFAZOQ-NXEZZACHSA-N 454.000 4.705 50 10 JJGE C[C@@H]1CN(C(=O)c2c(Br)cccc2Br)[C@H](C)C[C@H]1Br 2094100665 UNRTXMUARBRCDU-KBVBSXBZSA-N 454.000 4.846 50 10 JJGE Cc1c(Cl)cc(C(=O)N2CCC(CI)CC2)cc1Br 2111092372 RPBRWHCXLDNJFC-UHFFFAOYSA-N 456.549 4.698 50 10 JJGE Fc1cc2c(cc1I)nc(CCCl)n2[C@H]1C[C@@H](Br)C1 2126740244 AEFHUNSSBDYFGK-OCAPTIKFSA-N 457.512 4.660 50 10 JJGE CN(C(=O)c1cc(Br)cc(Br)c1)C1(CCBr)CCC1 2140970128 CPIYCOIEXXTTLV-UHFFFAOYSA-N 454.000 4.991 50 10 JJGE CC1(C)C[C@H](CCl)CN1C(=O)c1ccc(Br)cc1I 2142279941 WXBDZFGWXSWFEW-SECBINFHSA-N 456.549 4.533 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@H](CBr)CC2CC2)CC[C@@H]1C(F)(F)F 2169163418 SHCUSIBAZJASPV-XHSDSOJGSA-N 457.375 4.823 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@@H](Br)CC12CCC2 2169890465 XFVYDQWVXLLLCP-LLVKDONJSA-N 468.560 4.867 50 10 JJGE CCO[C@@H]1CC[C@H]([C@@H](Br)c2cc(I)cc3c2OCC3)C1 2174889300 RQHPOJKTUNKNPO-PSOPSSQASA-N 451.142 4.867 50 10 JJGE Cc1cc(C(=O)N2C[C@](C)(CBr)CC2(C)C)ccc1I 2207103212 RABIBPHHNIASRZ-INIZCTEOSA-N 450.158 4.625 50 10 JJGE Cc1cc(C(=O)N[C@@H](CBr)CC2CCCC2)ccc1I 2207108839 ZEZHYHQMSTYQQN-CQSZACIVSA-N 450.158 4.673 50 10 JJGE O=C(NC[C@]12CCC[C@@]1(CCl)C2)c1cc(Br)ccc1I 2208039924 NZPWCAXDTBLWLC-LSDHHAIUSA-N 468.560 4.583 50 10 JJGE CN(C(=O)c1cccc(Br)c1Br)[C@H](CBr)CC1CC1 2226153522 CLRXMVSQRIHBAO-JTQLQIEISA-N 454.000 4.847 50 10 JJGE Cn1cc(Br)c([C@H](Br)c2c(F)cc(F)c(Br)c2F)n1 2227807010 JVXVWJRSUCXWIF-SECBINFHSA-N 462.889 4.847 50 10 JJGE CCN(c1ncc(C(F)(F)F)cc1I)[C@H]1CCC[C@@H]1Br 2232617775 KOCZTSJMBPLRRL-ONGXEEELSA-N 463.079 4.847 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@H](Br)[C@H]2CC[C@H]21 2295314064 SRISVCVIQMOKFN-HZSPNIEDSA-N 466.011 4.529 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@]2(CCC[C@@H](CI)O2)[C@H]1C(F)(F)F 2303942570 LHRZAGVWQXTLRV-SLEUVZQESA-N 463.278 4.691 50 10 JJGE CCCN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)CC(C)(C)CI 2306819499 VFTVNHXPBFXEQK-INIZCTEOSA-N 452.421 4.949 50 10 JJGE O=C(NCC(F)(F)C(F)(F)CI)c1ccc(OCc2ccccc2)cc1 2336538592 JHYBXMYSZDLGGQ-UHFFFAOYSA-N 481.227 4.701 50 10 JJGE CC1(C)C[C@H](Br)CN(C(=O)c2ccc(Cl)cc2I)C1 2340063986 CAMNSEHDPYLGLD-VIFPVBQESA-N 456.549 4.580 50 10 JJGE COc1c(F)cc(COC2(CBr)CCN(C(=O)OC(C)(C)C)CC2)cc1F 2363444878 OATIFSXDBYXPAP-UHFFFAOYSA-N 450.320 4.655 50 10 JJGE BrCCCN(Cc1c(Br)cccc1Br)C1CCOCC1 2381159501 MZKNSJOGSQUBOA-UHFFFAOYSA-N 470.043 4.978 50 10 JJGE CCC[C@H]1C(C#N)=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)NC(C)=C1C(C)=O 20581922 APSYJSYEDXDFKH-AWEZNQCLSA-N 493.383 4.647 50 10 JJGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1c(F)cccc1Cl 38680225 ACALEMXJTXUUCE-QHCPKHFHSA-N 480.879 4.690 50 10 JJGE O=C1Cc2cc([C@H](Br)c3ccccc3I)c(Cl)cc2N1 40289569 SPLUTZHKXJLMAV-OAHLLOKOSA-N 462.512 4.924 50 10 JJGE CCOC(=O)c1c(NC(=O)N/N=C/c2ccc(O)c(Br)c2)sc2c1CC[C@H](C)C2 40851455 VHGRVRAXFZOXGQ-ZOCVZFIWSA-N 480.384 4.673 50 10 JJGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2O)cc1 97994181 LOVSJNZJWPWGPE-AUWJEWJLSA-N 457.143 4.564 50 10 JJGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240786 GLWFVBDTJLZWMG-UZEPBSNMSA-N 467.594 4.992 50 10 JJGE C/C(N)=C(\C#N)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 104699562 PEPKYDIWRHFZDF-STSQPVJDSA-N 482.496 4.502 50 10 JJGE C[C@@H]1CCC[C@](CBr)(NS(=O)(=O)c2cc(Cl)c(Br)s2)C1 136579151 LLPGLTJIWLBYCB-PELKAZGASA-N 465.660 4.786 50 10 JJGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 214204777 LFQALUWTXXBHNC-UCQKPKSFSA-N 466.541 4.857 50 10 JJGE CCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OC 214396776 KKUNGUGUYZVGCE-HMAPJEAMSA-N 460.530 4.675 50 10 JJGE FC(F)(F)Oc1c(I)cc(Br)cc1CBr 575691668 OTUTUZVCEXTLBH-UHFFFAOYSA-N 459.825 4.847 50 10 JJGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CNCCN2S(=O)(=O)c2ccccc2)cc1 616602784 BQBBBATYHHJJGE-QHCPKHFHSA-N 460.716 4.586 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1C2CCC1(CBr)CC2 722976999 FFGNOSYBEONYQE-UHFFFAOYSA-N 498.984 4.586 50 10 JJGE CNC(=O)c1ccc(CN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C2CC2)cc1 912769167 CRSRODBPSGEYKM-HZHRSRAPSA-N 470.548 4.691 50 10 JJGE CC(=O)c1ccc(C(=O)NNC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)o1 1350103337 UOBZVXJPFQIEIB-UHFFFAOYSA-N 454.482 4.803 50 10 JJGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1C(=NNC(=O)c1cccnc1)CCC2 1772746046 PYIPKXUGRZTNNT-HNNXBMFYSA-N 460.509 4.574 50 10 JJGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C[C@@H](Br)C1 1886113913 HCVUGDKTBDMMOQ-ZDPRRSKRSA-N 485.422 4.982 50 10 JJGE Br[C@H](c1cc(I)cc2c1OCC2)C1(Br)CCC1 2002787343 MJBQRNWFAFHIPY-GFCCVEGCSA-N 471.958 4.980 50 10 JJGE C[C@@H]1CC[C@H](CBr)CN1C(=O)c1csc(Br)c1Br 2032958916 PGYGKCTZXFUCKL-HTQZYQBOSA-N 460.029 4.909 50 10 JJGE Brc1cc([C@@H](Br)[C@H]2CCn3ncnc3C2)sc1Br 2046632107 ZPXYHGXAOQWOIA-WKEGUHRASA-N 456.001 4.563 50 10 JJGE CCC[C@@H](CBr)CNC(=O)c1ccc(I)c(Br)c1 2057128896 RXJCEGVQZKTOBU-VIFPVBQESA-N 488.989 4.595 50 10 JJGE COCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2059388651 QRJQZAYHPGROKC-UHFFFAOYSA-N 491.245 4.571 50 10 JJGE COC1(CBr)CCN(Cc2ccc(Br)cc2Br)CC1 2092263976 BIWBDLYWRLLDNM-UHFFFAOYSA-N 456.016 4.588 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@H](Br)[C@@H]2CC[C@H]21 2133723429 POTLZWVZRLVQRF-HOTUBEGUSA-N 451.984 4.600 50 10 JJGE C[C@H]1CC[C@](CCl)(NC(=O)c2ccc(Br)cc2I)C1 2142282920 JUWFIDMHXHYJAI-XPTSAGLGSA-N 456.549 4.581 50 10 JJGE O=C(c1cc(I)ccc1Br)N1C[C@H]2CCC[C@]2(CCl)C1 2159402079 SWILGSDEBNLRBK-BMIGLBTASA-N 468.560 4.535 50 10 JJGE Brc1ccc(Br)c(CN2C[C@@H](Br)C3(CCOCC3)C2)c1 2175141236 DLABRWPPUWYPNX-CQSZACIVSA-N 468.027 4.588 50 10 JJGE O=S(=O)(N(Cc1ccccc1)CC1CCCCC1)N1CCC[C@@H](CCBr)C1 2179951824 CSIUINMFRYYZPH-NRFANRHFSA-N 457.478 4.811 50 10 JJGE O=C(N[C@@H](CCl)[C@H]1CC=CCC1)c1ccc(I)c(Br)c1 2196139900 HSOLJYDAMPGECB-HZMBPMFUSA-N 468.560 4.747 50 10 JJGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCC12CC3CC(CC(C3)C1)C2 2223890050 DJSQWBDXIHDGNA-JCFBCRGFSA-N 463.400 4.938 50 10 JJGE CCN(C[C@@](C)(CBr)O[C@@H]1CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2242040830 ZMBMIFOGKUGTOK-DENIHFKCSA-N 455.437 4.688 50 10 JJGE COC(=O)c1ccccc1NC=C(C#N)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2296764712 ALBURJQIUSSNJK-UHFFFAOYSA-N 474.454 4.588 50 10 JJGE Cc1ccc2nc(C(F)(F)F)cc(N3CCN(C=C(C#N)S(=O)(=O)c4ccccc4)CC3)c2c1 2297564747 SKIOEVQYQOYJBU-UHFFFAOYSA-N 486.519 4.523 50 10 JJGE C[P@]1(=O)C[C@@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 2306217990 VUPKUMCVKJKHDF-CINOJJQCSA-N 491.929 4.982 50 10 JJGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OC(C)C)c(OC)c2)c(OC)c1 2314774638 ZWHCXLPEQWUIJT-UHFFFAOYSA-N 478.545 4.543 50 10 JJGE CCS(=O)(=O)C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315443556 JVHUUENHLXZUBX-LURJTMIESA-N 487.410 4.875 50 10 JJGE COc1ccc(OC)c(C=CC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)c1 2321143318 SJYQFMTZQBZNLC-UHFFFAOYSA-N 486.355 4.855 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCCOC)cc2)sc2c1CC[C@@H](C)C2 2331123756 QNLPDALMKKMLGS-MRXNPFEDSA-N 468.575 4.620 50 10 JJGE C=CC[C@@H](Br)[C@H]1CCN1C(=O)c1ccc(Br)cc1I 2335805329 CZQUWBFPHLSQPW-DGCLKSJQSA-N 498.984 4.608 50 10 JJGE CC(C)CN1C[C@H](Cc2cc(I)ccc2Cl)[C@@H](Br)C1 2352432096 OTHKELBOAYHTJS-JSGCOSHPSA-N 456.593 4.838 50 10 JJGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C)c(C)c3)ccc21 38650058 WTJFFUVCTKKLNE-SANMLTNESA-N 456.498 4.515 50 10 JJGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc21 38650450 UUVNTJKNYABKPX-VWLOTQADSA-N 476.916 4.941 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@H]1c1ccccc1Br 38678958 PXDYFXGJSZRGNR-HSZRJFAPSA-N 461.315 4.815 50 10 JJGE CCCCCN1C(=O)/C(=N\NC(=O)COc2ccc(Cl)cc2)c2cc(Br)ccc21 40846247 DZOZWXIVORXZOC-QQTULTPQSA-N 478.774 4.539 50 10 JJGE N#C/C(=C\c1ccc(OC(=O)/C(C#N)=C/c2ccc(Cl)cc2)cc1)C(=O)NCc1ccco1 40927147 OHCUZNFEOCRSEZ-KVOOEGMKSA-N 457.873 4.669 50 10 JJGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCc2ccccc2)cc1 102845867 HHLUNPAABMADKV-JWGURIENSA-N 464.525 4.581 50 10 JJGE Nc1ccc(Cl)cc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382723318 OQVYOQWYIOLWFF-PBHICJAKSA-N 470.738 4.709 50 10 JJGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CN(S(=O)(=O)c3ccccc3)CCN2)c1 616654126 MIOITJPEQASWHP-HSZRJFAPSA-N 460.716 4.586 50 10 JJGE Cc1nccnc1COc1c(Br)cc(CBr)cc1Br 687301388 COIYDSWONKVYRY-UHFFFAOYSA-N 450.956 4.784 50 10 JJGE O=C(NN=Cc1ccc(OCc2ccc(Br)cc2)cc1)c1ccccc1[N+](=O)[O-] 1081086632 BBGFZQKCHREDJB-UHFFFAOYSA-N 454.280 4.700 50 10 JJGE CCOc1cc(C=NNC(=O)[C@@H]2COc3ccccc3O2)ccc1OCc1ccc(Cl)cc1 1083910264 DWEOVNDBZMNQIM-DEOSSOPVSA-N 466.921 4.608 50 10 JJGE O=C(COc1ccccc1Cl)NN=Cc1ccc(-c2ccc(I)cc2)o1 1565517614 TYQZEJFBSMDALE-UHFFFAOYSA-N 480.689 4.734 50 10 JJGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696657 PPEPMCBRMAYLAL-HXUWFJFHSA-N 465.351 4.570 50 10 JJGE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704674 BOCAFERENHTPKI-DEOSSOPVSA-N 486.572 4.938 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865706029 LZRAWWHVGXKWCK-OAHLLOKOSA-N 461.787 4.671 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C2CC2)C1 2018374371 ICUJRLPIKYEXHB-MSOLQXFVSA-N 475.721 4.660 50 10 JJGE C[C@@H]1CCCN(C(=O)c2csc(Br)c2Br)[C@@H]1CBr 2032956197 MXCUQIXFIWGYML-VXNVDRBHSA-N 460.029 4.909 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@@H]2C[C@H](C[C@H]2Br)C1 2045146293 FOZSYBLZNMTSTP-BKPPORCPSA-N 458.013 4.519 50 10 JJGE FC(F)c1cc(CBr)cc(I)c1I 2060236948 ZWSWLPMVNGWFHD-UHFFFAOYSA-N 472.836 4.728 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H]2CC[C@@]2(CBr)C1 2078141752 FKRHJTRSSWCYRX-JMCQJSRRSA-N 458.013 4.520 50 10 JJGE BrCc1cc(Br)c(OC[C@@H]2[C@H]3CCOC[C@@H]32)c(Br)c1 2093711360 SJGKOORYYJDDTE-GARJFASQSA-N 454.984 4.768 50 10 JJGE CN(C1CC(OCc2ccccc2)C1)S(=O)(=O)c1cc(CCl)ccc1Br 2100218042 ZTJDHFDGQUIREK-UHFFFAOYSA-N 458.805 4.556 50 10 JJGE CN(C[C@H](Br)C1CCCCC1)C(=O)c1sccc1I 2111355243 CRGJYGRWNSXQJO-NSHDSACASA-N 456.187 4.769 50 10 JJGE CC[C@@]1(CBr)COCCN1Cc1c(Br)cccc1Br 2112721317 URXOEHWUVZIKNV-CQSZACIVSA-N 456.016 4.588 50 10 JJGE CC[C@@H](C)[C@H](CI)NC(=O)c1cc(Cl)c(C)cc1Br 2136494053 KXVZFLVWMROOJO-OQPBUACISA-N 458.565 4.990 50 10 JJGE CC1(C)C[C@@H](CCl)N(C(=O)c2ccc(Br)cc2I)C1 2142282804 IRWDXYZQQHTHBZ-JTQLQIEISA-N 456.549 4.533 50 10 JJGE O=C(NC[C@H]1C[C@H](Cl)C12CCC2)c1cc(Br)ccc1I 2172230976 GPJABYANLUQURX-RNCFNFMXSA-N 468.560 4.581 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CC2(CCC(Cl)CC2)C1 2181089080 UIYUUDPBKNBMES-UHFFFAOYSA-N 468.560 4.677 50 10 JJGE O=C(N[C@@]1(CCl)C[C@H]2CC[C@H]1C2)c1ccc(Br)cc1I 2283913229 PRDOJRWMNVNMJB-AMJWSMQMSA-N 468.560 4.581 50 10 JJGE CO[C@@H]1C[C@H](Br)C[C@@H]1Cc1ccc(I)c(Br)c1 2306211513 RRVCVXYCBMMVNV-OPQQBVKSSA-N 473.974 4.785 50 10 JJGE Cc1cccn2c(=O)c(C=C(C#N)c3nc4ccccc4n3C)c(Oc3ccc(F)cc3)nc12 2314436976 VIVFTFYHKOJMSX-UHFFFAOYSA-N 451.461 4.885 50 10 JJGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 2314618730 SNGLCPVZUMWNFZ-HSZRJFAPSA-N 496.542 4.758 50 10 JJGE CC(C)Oc1ccc(C=NNC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cc1Cl 2323648549 QDVAVCRDQSSZFR-UHFFFAOYSA-N 458.345 4.755 50 10 JJGE C/C(=N\NC(=O)c1ccncc1)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 20352677 JSXBHYNKUPXSBU-TXMABLNQSA-N 450.926 4.603 50 10 JJGE Cc1sc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)c(C#N)c1C 38195886 ZMLSYMQMGLPXFI-HZHRSRAPSA-N 469.614 4.900 50 10 JJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1 38650595 PTEXGSDWBLOWEL-RUZDIDTESA-N 456.498 4.921 50 10 JJGE CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCc1cc(=O)n2nc(CC)sc2n1 50806596 QDNVLWKJBFHPRQ-BOPFTXTBSA-N 498.568 4.632 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1OC 101334624 YTMMICCCYFBITQ-YDZHTSKRSA-N 496.567 4.805 50 10 JJGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3Cl)nc3ccccn3c2=O)cc1 102683559 GDASGNYLVMKKBO-PEZBUJJGSA-N 472.888 4.694 50 10 JJGE Cc1ccccc1N(CC(=O)NN=Cc1ccc2c3c(cccc13)CC2)S(=O)(=O)c1ccccc1 254383929 HJJBYWSRYUVKHI-UHFFFAOYSA-N 483.593 4.592 50 10 JJGE Cc1cc(C(=O)CCl)c(C)n1-c1cc(Br)ccc1I 302416395 QFERKLZCRFCRAE-UHFFFAOYSA-N 452.517 4.883 50 10 JJGE BrCC(CBr)(CO[C@@H]1CCCOC1)c1cccc(Br)c1 312227220 AJWQZEQMISETOX-CQSZACIVSA-N 471.027 4.672 50 10 JJGE C[C@H]1CN(c2ncc(C(F)(F)F)cc2I)C[C@@]1(C)CBr 686112748 UORZMWJPJULYHL-QPUJVOFHSA-N 463.079 4.562 50 10 JJGE Fc1ccc(N2CC[C@@]3(CN(Cc4ccccc4)CCO3)C2)c(CBr)c1Cl 717604529 UHSLNQMPXNFNSN-OAQYLSRUSA-N 453.783 4.855 50 10 JJGE O=C(NNC(=O)c1cccc2cccnc12)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 729616299 JEXBHKGDMNVXNA-LJQANCHMSA-N 461.522 4.519 50 10 JJGE CS(=O)(=O)Oc1ccc(C(=NNC(=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 1088673916 AMMWURMTQOSCDJ-UHFFFAOYSA-N 463.342 4.514 50 10 JJGE CC(=O)N1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3)c2C)CC12CCCCC2 1637947759 DSOIATHPJORNBT-UQQQWYQISA-N 458.606 4.703 50 10 JJGE CCOc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745647 FDPYYMFAQGSSPI-UHFFFAOYSA-N 476.489 4.618 50 10 JJGE Cc1ccc(COc2ccc(C=NNC(=O)COc3cccc(Br)c3)cc2)cc1 1772753835 LBKPPRPNMWFWSQ-UHFFFAOYSA-N 453.336 4.866 50 10 JJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)cc1OCC 1865691450 SDNMEVZCURYRDZ-JOCHJYFZSA-N 460.534 4.501 50 10 JJGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(C)cc1 1865692231 DERZMXOANPIYMR-LJQANCHMSA-N 484.478 4.884 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1OC 1865696100 XMLRZEBXEPBNIM-NRFANRHFSA-N 481.350 4.569 50 10 JJGE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714266 FSAAIYFWUUPDKZ-IBGZPJMESA-N 455.743 4.874 50 10 JJGE CCOC(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3cccc(Br)c3)sc2c1 1866131715 KIVKYNRBIPZXTQ-RIYZIHGNSA-N 456.321 4.781 50 10 JJGE Cc1c([N+](=O)[O-])cc(/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1[N+](=O)[O-] 1872751190 VWRMJAVASHPOKZ-ZHZULCJRSA-N 466.431 4.656 50 10 JJGE COC(=O)c1c(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)sc(/C(C)=C/C#N)c1C 1873427178 JCLDTKPOIHWKRJ-WYMLVPIESA-N 485.521 4.823 50 10 JJGE CC(C)[C@H]1C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)CN1Cc1ccccc1 1985347432 RYJKFKXGSHTGRM-NHCUHLMSSA-N 453.718 4.781 50 10 JJGE C[C@H]1C[C@@H](Br)[C@H](C)CN1C(=O)c1cc(Br)ccc1Br 2093110435 BXUDPPJPRVWHQC-VYUIOLGVSA-N 454.000 4.846 50 10 JJGE CN(CCCOCc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1F 2123267686 IMFRZQFHQURRHE-UHFFFAOYSA-N 464.784 4.601 50 10 JJGE Brc1ccc([C@H](CI)OC[C@@H]2C[C@@]23CCCOC3)cc1 2198380621 QNYPOMWCTBZUNO-CWRNSKLLSA-N 451.142 4.759 50 10 JJGE O=C(N[C@H](CCl)c1ccccc1)c1ccc(Br)cc1I 2207275559 MRIFCVOUJPLKNP-CQSZACIVSA-N 464.528 4.764 50 10 JJGE C[C@H]1C[C@@H](Br)[C@H](C)CN1C(=O)c1ccc(Cl)c(I)c1 2268344847 MHODLRPPKCYOQW-WCABBAIRSA-N 456.549 4.579 50 10 JJGE C[C@]1(CNC(=O)c2cc(Br)cc(Br)c2)CCC[C@@H]1Br 2271303971 ZHSCASVRVWMDPV-GXTWGEPZSA-N 454.000 4.895 50 10 JJGE COc1cccc(Cn2cc(C=C(C#N)C(=O)NCc3ccc4c(c3)OCO4)c3ccccc32)c1 2295672699 UHICMRDZULFHJT-UHFFFAOYSA-N 465.509 4.650 50 10 JJGE COc1ccc(C=C(C#N)C(=O)OCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 2297356070 UPAFHHLFDUXLGL-UHFFFAOYSA-N 472.341 4.822 50 10 JJGE CC(C)(CI)CN(CC1CC1)C[C@H]1CCCN1C(=O)OC(C)(C)C 2306819462 VBYKEFDVPPPWRB-MRXNPFEDSA-N 450.405 4.559 50 10 JJGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)NC)cc1 2314593592 PSCXNKGBCGWQMI-IBGZPJMESA-N 476.385 4.564 50 10 JJGE O=S(=O)(N[C@@H](CCCl)COCc1ccccc1)c1ccc(Br)cc1Cl 2320663416 QMVPNXUVSOTRFA-HNNXBMFYSA-N 467.212 4.595 50 10 JJGE CC(C)c1nc(Br)c(Br)n1C[C@@]1(CBr)CC1(F)F 2326881537 AUSQSOYKFIIMAF-JTQLQIEISA-N 450.947 4.952 50 10 JJGE C=CC[C@H](Br)[C@@H]1CCN1C(=O)c1cc(Br)cc(Br)c1 2335821552 ODDZBHHMUXDVMB-STQMWFEESA-N 451.984 4.766 50 10 JJGE Clc1ccc(CN2C[C@@H]3CCC[C@H](C2)C3Br)cc1I 2337230496 UANXSWLKXDCSSA-ODOQXGPZSA-N 454.577 4.940 50 10 JJGE CC(C)(C)CN(CCBr)C(=O)c1ccc(Cl)cc1I 2340062474 ZZPZHIPEGXLKSP-UHFFFAOYSA-N 458.565 4.828 50 10 JJGE Cl[C@@H]1CC[C@@H]2CN(Cc3ccc(I)c(Br)c3)C[C@H]2C1 2349826163 DNFGQUGGRICFFO-JHJVBQTASA-N 454.577 4.893 50 10 JJGE Clc1ccc(I)cc1CN1C[C@H]2CCC[C@@]2(CBr)C1 2352410180 MJEDRENAUVDQEH-IUODEOHRSA-N 454.577 4.942 50 10 JJGE C[C@@H]1COc2ccc([C@@H](Br)c3c(Br)c(Br)nn3C)cc21 2364227917 GGEFCZCUXLINTI-RDDDGLTNSA-N 464.983 4.925 50 10 JJGE Cc1cc(NS(=O)(=O)c2ccc(N/C=C(\C#N)c3nc(-c4cccs4)cs3)cc2)no1 17025688 KXKSMWICLPZPPT-SDNWHVSQSA-N 469.573 4.945 50 10 JJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(C)cc1 20806905 WWOVEDBGXNBNRU-HSOLMKNUSA-N 469.014 4.669 50 10 JJGE CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)CC[C@H](O)c3ccc(OCC)cc3)c2C)cc1 58893237 QNLUQJJGRPHPQM-DGXULUGGSA-N 491.588 4.633 50 10 JJGE COc1cc(/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 101338809 JJXBFQTZBAKZEW-LPYMAVHISA-N 460.505 4.948 50 10 JJGE C[C@H](Br)C1CCN(C(=O)c2ccc(Br)cc2Br)CC1 235461702 CIZAAVMLVSIFQC-VIFPVBQESA-N 454.000 4.847 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)COc2ccccc2OC)cc1 254478309 DSYKZBLUWCQACY-UHFFFAOYSA-N 484.556 4.866 50 10 JJGE Fc1cc2nc(CCl)n(C[C@H]3CN(Cc4ccccc4)CCO3)c2cc1Br 312631798 MTEBZLMFNWFMAF-OAHLLOKOSA-N 452.755 4.578 50 10 JJGE CC(=O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@@H]12 575232176 DBLUIDKSSPQNMP-ZFBPGJDDSA-N 456.696 4.705 50 10 JJGE in-vitro FC(F)(F)Oc1cc(CBr)c(Br)cc1I 575695331 LRSBXRSINHFUOC-UHFFFAOYSA-N 459.825 4.847 50 10 JJGE COc1ccc(OCCNC(=O)Nc2ccc(C(=O)Nc3ccc(SC#N)cc3)cc2)cc1 586611676 REBKDSQAOILFKT-UHFFFAOYSA-N 462.531 4.721 50 10 JJGE CN(C[C@H]1CCC[C@H]1Br)C(=O)c1cc(Br)cc(Br)c1 708325005 FGSINMDRWTYORT-NOZJJQNGSA-N 454.000 4.847 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCC(COc3ccccc3)CC2)c(-c2ccccc2)n1 729430896 GARGRCYZAXIWMW-MOHJPFBDSA-N 465.557 4.688 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)c(C)n1-c1ccc(F)cc1 915171649 HUUBNVBMSAPMST-JCMHNJIXSA-N 486.547 4.780 50 10 JJGE O=C(NN=Cc1cc(Br)ccc1OCc1ccc(F)cc1)c1ccc2c(c1)OCO2 1084055716 YQUGKYFQECBMER-UHFFFAOYSA-N 471.282 4.660 50 10 JJGE CN(C(=O)OC(C)(C)C)c1cccc(NS(=O)(=O)c2ccc(CBr)cc2)c1 1260508379 NFABDDLNSXVDPL-UHFFFAOYSA-N 455.374 4.754 50 10 JJGE O=C(CCCNC(=O)c1ccccc1Cl)NN=Cc1ccc(OC(=O)c2ccccc2Cl)cc1 1554142966 CDXKZNYVRHDIAE-UHFFFAOYSA-N 498.366 4.873 50 10 JJGE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NNc1cccc(C)n1 1641057143 IMYJNXYMUBMZJA-DEOSSOPVSA-N 456.546 4.707 50 10 JJGE Cc1c(C(=O)N(C)c2ccccc2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772748515 YXIXZDIBXHKPQG-UHFFFAOYSA-N 493.379 4.854 50 10 JJGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689308 PFDWZBZVDJZQLL-FQEVSTJZSA-N 495.377 4.579 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)ccc1OCc1ccc(C)cc1 1865694745 AOBFPAFOHSAIIE-SANMLTNESA-N 479.540 4.690 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)c1 1865712415 XURFLMDPKWPIGX-QGZVFWFLSA-N 478.833 4.969 50 10 JJGE Cc1oc(-c2ccccc2Cl)nc1CC(=O)N[C@@H](C)C(=O)Nc1ccc(SC#N)cc1 1866661301 SRGCNFCPXXYGDF-ZDUSSCGKSA-N 454.939 4.563 50 10 JJGE C/C(=C\c1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1866815309 XLHAIKDLORCDRX-UFIOJNINSA-N 457.555 4.735 50 10 JJGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OCc4ccccc4F)cc3)nc2c1 1872727589 LZMKXNZGIYVTCH-XDHOZWIPSA-N 455.445 4.904 50 10 JJGE N#C/C(=C(/O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752468 DIQBFKLIGBYOJC-JWGURIENSA-N 462.487 4.997 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(OCC(C)(C)C(F)(F)F)CC1 1945433404 AYYUMCLERFEBBJ-UHFFFAOYSA-N 465.294 4.796 50 10 JJGE C[C@H]1CN(Cc2ccc(Br)cc2Br)C[C@@H](CCBr)O1 2122795459 WNOGYQWEOGHHHH-GXFFZTMASA-N 456.016 4.586 50 10 JJGE O=C(c1cc(Br)ccc1I)N1[C@H](CCl)C[C@@H]2CCC[C@@H]21 2164666269 ZOOMWTZXWVBGPX-CHIMOYNISA-N 468.560 4.676 50 10 JJGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ccc(Cl)c(CBr)c1 2179787235 LWWMVSYCBHHIEN-CVEARBPZSA-N 471.848 4.518 50 10 JJGE Cc1nn(CCBr)c(C)c1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)C(C)(C)C 2179860375 QSNFFSMZGYLRKT-KRWDZBQOSA-N 456.450 4.520 50 10 JJGE BrCC(CBr)(CC1COCCOC1)c1ccc(Br)cc1 2187995300 YJPTWNAKKOVNOI-UHFFFAOYSA-N 471.027 4.530 50 10 JJGE BrC[C@@H]1C[C@H]2OCCN(Cc3c(Br)cccc3Br)[C@@H]2C1 2199764304 CISCPKRAJSFVQQ-COLVAYQJSA-N 468.027 4.586 50 10 JJGE Cn1nc(Br)c([C@@H](Br)c2cc(Cl)c(Br)s2)n1 2210978022 LJMSXCQRIMMTFT-YFKPBYRVSA-N 450.381 4.539 50 10 JJGE C=CC[C@]1(CBr)CCCCN1C(=O)c1csc(I)c1 2272177962 XRDQLYRBUIDZKM-CQSZACIVSA-N 454.171 4.689 50 10 JJGE C[C@H]1CCCN(C(=O)c2ccc(Cl)c(I)c2)[C@H]1CCBr 2283670046 RBXHNTXMXPWBIK-HZMBPMFUSA-N 470.576 4.970 50 10 JJGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C(C)C=Cc2ccccc2)cc1OC 2293968633 MPPFEAPKGKNHLG-UHFFFAOYSA-N 469.541 4.680 50 10 JJGE CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N2CCOCC2)cc1 2296539232 IDTGWVHPZFEEKX-UHFFFAOYSA-N 470.573 4.730 50 10 JJGE BrC[C@@]1(Cc2ccc(I)c(Br)c2)CC=CCO1 2306225355 DHDBOMVKLHBDFR-ZDUSSCGKSA-N 471.958 4.706 50 10 JJGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC)c(F)c2)C(C)=C(C#N)C1=O 2314617139 RJHRULYABQXJNN-UHFFFAOYSA-N 482.515 4.855 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCCCCC(F)(F)C(F)(F)F)C1 2315799080 JNWNFPSHOHMJMB-GHMZBOCLSA-N 487.247 4.794 50 10 JJGE Cl[C@H]1C[C@@H](CNCc2ccc(I)c(Br)c2)C12CCC2 2349857864 DABKKDNKZOVKHH-FZMZJTMJSA-N 454.577 4.941 50 10 JJGE Cc1nc(Br)c([C@H](Br)c2ccc3c(c2Br)CCO3)n1C 2362487588 XBTLTRIYRZAVPM-GFCCVEGCSA-N 464.983 4.673 50 10 JJGE O=C(c1sccc1I)N1CC[C@@H](C2CCC(Br)CC2)C1 2381280066 BPOCBRDXYKYRAD-MOENNCHZSA-N 468.198 4.769 50 10 JJGE CCOC(=O)c1c(NC(=O)[C@@H](C)Cl)c(-c2ccc(OC)c(OC)c2)cn1Cc1ccccc1 23449153 OHPXXLSHICJRHY-MRXNPFEDSA-N 470.953 4.963 50 10 JJGE CCOC(=O)COc1ccc(/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1OC 35519889 MUVCEFAVVNPEHZ-ZDLGFXPLSA-N 488.521 4.931 50 10 JJGE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)CCC3)c1 40813016 OXMYESSMCQNCQE-ZXVVBBHZSA-N 460.490 4.836 50 10 JJGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40824072 OPWPOXKTAWQKCW-NDZAJKAJSA-N 484.478 4.763 50 10 JJGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C(C)C)c(C)c2)c(OC)c1 54624882 FFLNAZADPWATPZ-CJLVFECKSA-N 494.588 4.561 50 10 JJGE O=C(CCCNc1ccc(Cl)cc1)N/N=C/c1cc(Br)cc(Br)c1O 59507695 YIMDUFUJAUVTGQ-LSHDLFTRSA-N 489.595 4.913 50 10 JJGE CCCCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(C[C@@H](C)O)C(=O)C(C#N)=C3C)o2)ccc1Cl 103693437 VFSPCTRXNQHHFD-VUFYJBQKSA-N 496.947 4.530 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CCCCC[C@H]1CBr 232473454 HUEGNPDFCKNOCR-ZDUSSCGKSA-N 454.000 4.991 50 10 JJGE ClCc1nc2cc(I)ccc2n1C1[C@@H]2CN(Cc3ccccc3)C[C@@H]12 398344485 LYBWGUJZAZPRJN-HZPDHXFCSA-N 463.750 4.683 50 10 JJGE Cc1cc([N+](=O)[O-])ccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 1614641294 JJEGNONYEFAUGS-APWZRJJASA-N 480.302 4.690 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1 1865680413 JXOBPBLZSKOUPN-IBGZPJMESA-N 464.403 4.674 50 10 JJGE CCCc1nn(CC)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697788 BXZOPXSHNZSOSA-GOSISDBHSA-N 475.387 4.632 50 10 JJGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706049 MKMRSKOIQDXMOB-SFHVURJKSA-N 486.713 4.723 50 10 JJGE O=C(c1ccc(Br)cc1I)N(CCCl)Cc1ccccc1 1906757859 WUBATJHLKYHZCO-UHFFFAOYSA-N 478.555 4.935 50 10 JJGE CN(CCOc1ccc(Br)cc1)C[C@H](Br)COCc1ccccc1 1916367024 PQSFDVAOJORWFG-SFHVURJKSA-N 457.206 4.740 50 10 JJGE CCC(CC)(CBr)CN(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1959577254 YVNXWUVABVLELU-UHFFFAOYSA-N 480.488 4.539 50 10 JJGE C[C@H](NCCSSCCNC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1985346566 DVLGAKKUEZHAPI-DLBZAZTESA-N 463.710 4.518 50 10 JJGE C[C@H](Br)[C@H](NC(=O)c1scc(Br)c1Br)C(F)(F)F 2074718036 XHPPTEAKLNWBAI-NOWQDGDBSA-N 473.934 4.717 50 10 JJGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)c1 2084287988 XWEMSZFCHLGBKF-HKWRFOASSA-N 468.447 4.902 50 10 JJGE C[C@@H]1CN(C(=O)c2cccc(Br)c2Br)C[C@]1(C)CBr 2092332797 JTCYLGNFGZWSCR-OTYXRUKQSA-N 454.000 4.705 50 10 JJGE CC(C)(C)[C@@H](CBr)CNC(=O)c1cccc(Br)c1Br 2092336425 XSWXOSDNHYTGPZ-VIFPVBQESA-N 456.016 4.999 50 10 JJGE CC1(C)C[C@@H](Br)CCN1C(=O)c1cccc(Br)c1Br 2113594533 VEWCZIPRWGNDFR-VIFPVBQESA-N 454.000 4.990 50 10 JJGE O=S(=O)(c1ccc(CBr)cc1Cl)N1CCC[C@H](OCc2ccccc2)C1 2129813545 CTMVYJDANGQMPU-KRWDZBQOSA-N 458.805 4.605 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)NC2(CCBr)CCC2)cc1Br 2146296813 GKLVRBWTEGEJME-UHFFFAOYSA-N 490.055 4.506 50 10 JJGE C[C@H](c1cc(Br)cs1)N(C)S(=O)(=O)c1ccsc1CBr 2186573475 NPJFDZYNLIBUHR-MRVPVSSYSA-N 459.250 4.849 50 10 JJGE Cc1cc(C(=O)NC[C@H]2CCCC[C@@H]2CBr)ccc1I 2207108608 XMOVGIGZKPJICX-ZIAGYGMSSA-N 450.158 4.531 50 10 JJGE CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(CCCCCI)C1 2220215791 JOZOOBGLIADJNQ-KRWDZBQOSA-N 458.384 4.938 50 10 JJGE COCCN(C)C[C@@H](Cl)Cc1sc(Br)c(Br)c1Br 2222447521 FIOGHZILBQHKSW-ZETCQYMHSA-N 484.479 4.764 50 10 JJGE Cl[C@@H]1CCC[C@@H]2CN(c3ncc(I)cc3Br)CC[C@H]21 2225494531 ZKXHFQAWMOISEX-IRUJWGPZSA-N 455.565 4.683 50 10 JJGE CC(C)(C)[C@@H](CCBr)NC(=O)c1ccc(Cl)c(I)c1 2268349497 QMGZWAYVKQKVKM-GFCCVEGCSA-N 458.565 4.874 50 10 JJGE C[C@@H]1OCCO[C@@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272728148 JIMJQKGZABUMML-JAGHEFPSSA-N 464.926 4.730 50 10 JJGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1ccc(Cl)c(I)c1 2303701960 JSNMZDZJPBZYLP-HNNXBMFYSA-N 478.157 4.889 50 10 JJGE COc1cc(C(=O)N[C@@H](CCBr)COCc2ccccc2)ccc1Br 2320359803 GWEXXSKHXPSTEP-INIZCTEOSA-N 471.189 4.558 50 10 JJGE O=C(c1csc(I)c1)N1CC[C@@H](C2CCC(Br)CC2)C1 2381280774 KPNZFYZTIHWOLC-QWKFWESOSA-N 468.198 4.769 50 10 JJGE COc1cc(-c2n[nH]c3c2[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc(OC)c1OC 985148 OUBXUSQIFXDOCN-MRXNPFEDSA-N 473.316 4.627 50 10 JJGE CCOc1cc(C(=O)NNc2nc3c(OC)ccc(Cl)c3s2)cc(OCC)c1OCC 9447773 WIXQYBORIATKSY-UHFFFAOYSA-N 465.959 4.911 50 10 JJGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)COc1ccc(C)cc1Br 10683462 DDRCWZQVBNRMGO-LPHOPBHVSA-N 477.399 4.655 50 10 JJGE COc1cccc(/C=N/NC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 12491393 GMQRZSJEZCESEI-FOKLQQMPSA-N 492.167 4.903 50 10 JJGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 14031880 XSQFTVDCZNZIAR-SFHVURJKSA-N 479.602 4.512 50 10 JJGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccc([C@H](C)CC)cc2)cc1Br 14041299 IBMSGDIAVQSEGR-MRXNPFEDSA-N 477.399 4.982 50 10 JJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c(Br)c1 14832371 LTNCBQVRYGRTAU-WMLDXEAASA-N 477.399 4.573 50 10 JJGE Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C 21999960 FWDWHZJBPDDNOT-XDHOZWIPSA-N 476.464 4.539 50 10 JJGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Cl)CCC3)cc1 40812726 JSHPEAOIMAKUEW-ZXVVBBHZSA-N 451.910 4.973 50 10 JJGE CCOc1c(Br)cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1OC 40911798 FLBXOMBFGDNCQS-AUEPDCJTSA-N 469.763 4.656 50 10 JJGE O=C(NC[C@H]1CCC[C@@H](Br)C1)c1cc(Br)ccc1Br 227756813 SKTIOSXJHOAYKL-VHSXEESVSA-N 454.000 4.895 50 10 JJGE CCOc1ccc(N(CC(=O)NN=Cc2cccc3ccccc23)S(=O)(=O)c2ccccc2)cc1 252605307 GHTZSSZMXICIFK-UHFFFAOYSA-N 487.581 4.584 50 10 JJGE CC(=NNC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 254848208 GDWONWYOQSRUEV-UHFFFAOYSA-N 473.558 4.934 50 10 JJGE CCCCOc1ccc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 263626113 MPNHRHODKRBLLH-UHFFFAOYSA-N 465.575 4.739 50 10 JJGE CC(C)(C)C(=O)[C@@H](Br)Cc1ccc(Br)c(I)c1 304197723 LCBISQSLNAWMNS-JTQLQIEISA-N 473.974 4.975 50 10 JJGE BrCc1c(Br)cccc1N1CC[C@@H](N2CCN(Cc3ccccc3)CC2)C1 394806311 QBVVNWXSGMIJOM-LJQANCHMSA-N 493.287 4.741 50 10 JJGE CC1(C)C[C@@H](Cl)CCN(C(=O)c2cc(I)ccc2Br)C1 395354467 UFFZHWLRXKVDLB-JTQLQIEISA-N 470.576 4.923 50 10 JJGE Cn1ncc(Br)c1[C@H](Br)c1cc(Br)c2c(c1)CCCO2 693095014 YRJORHYKBFESGL-GFCCVEGCSA-N 464.983 4.754 50 10 JJGE O=S(=O)(c1cc(CCl)sc1Br)N1CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 717480954 WIYFNRIVZSYYRW-JKSUJKDBSA-N 489.888 4.677 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc(C(F)(F)F)cc2)c(-c2ccccc2)n1 791185941 VZNITNXTCLYYHG-UYRXBGFRSA-N 478.430 4.816 50 10 JJGE COc1cccc(C(=O)NN=Cc2ccc(OCc3ccc(Br)cc3)c(OC)c2)c1 1083965170 RMLYUTJJEBWWKB-UHFFFAOYSA-N 469.335 4.809 50 10 JJGE C#C[C@@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C)C1CCOCC1 1131258267 WSXCTFRVTAVDJG-PGGUJSHWSA-N 455.480 4.565 50 10 JJGE Cc1c(C(=O)N=c2cc[nH]cc2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749704 XWXXZMFAZYWHTI-UHFFFAOYSA-N 478.552 4.646 50 10 JJGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)cc1 1772751313 NHBHTDQQERLATQ-UHFFFAOYSA-N 496.523 4.646 50 10 JJGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N/N=C\c1cccc(OCc2ccccc2)c1 1860772630 CGMTYMLUGJVLRD-UHBFCERESA-N 494.576 4.854 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OC)c(O)c1)C(C#N)=C(N)O2 1865682108 GFXFGFNHHCOICG-FQEVSTJZSA-N 481.350 4.520 50 10 JJGE CC(C)(C)OC(=O)NCC1CC([S@](C)(=O)=NCC2(CBr)CCCCC2)C1 1877586858 CJLXVKVJDBLUGR-RHDIPHDTSA-N 451.471 4.733 50 10 JJGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CCCN(C(=O)OC(C)(C)C)CCC1(F)F 1893341704 HOWGLPFTDAQVNB-UONOGXRCSA-N 471.383 4.947 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@H](Br)Cc1ccc(Br)c(Cl)c1F 1905344141 SJUPVAQJNLEENY-SNVBAGLBSA-N 475.539 4.844 50 10 JJGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)C(=O)[C@@H](Br)C2CCCC2)C1 1955037338 BQPVCTVVSMGWEL-IBGZPJMESA-N 451.405 4.588 50 10 JJGE O=C(N[C@@H]1CC[C@@H]2C[C@]21CBr)c1cc(Br)c(Br)s1 2068355846 USHARZKXYMZKKU-JSTDYGSISA-N 458.013 4.567 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2C[C@H]1CC[C@H]2Br 2088647326 SKHQOFMSVWDJRG-OASPWFOLSA-N 451.984 4.600 50 10 JJGE O=C(N[C@H]1CCC[C@@H]1CCBr)c1ccc(I)c(Cl)c1 2090573184 RYMHFGWFHPAZTN-RNCFNFMXSA-N 456.549 4.628 50 10 JJGE Cc1c(Br)c(COc2cccc(CBr)c2Br)nn1C 2093830306 YUKGGBHEXUONLY-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE Cc1cccc(C(=O)N2CCC[C@H](CCBr)CC2)c1I 2149737631 DEHWZPKPSODOEK-CYBMUJFWSA-N 450.158 4.627 50 10 JJGE CO[C@@H](COc1c(Br)cc(Br)cc1CBr)[C@H]1CCOC1 2150288157 QLIBVFGMNQINEF-ZANVPECISA-N 472.999 4.537 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@H](Br)CC2(CCC2)C1 2151350393 ZXCCGSPYCZSNIW-SNVBAGLBSA-N 466.011 4.991 50 10 JJGE O=S(=O)(NC[C@H]1CCCC[C@H](Br)C1)c1cc(Cl)c(Br)s1 2163743924 SIEREFNAFHKSTR-IUCAKERBSA-N 465.660 4.786 50 10 JJGE O=C(c1cc(I)ccc1F)N(CCBr)Cc1ccsc1 2171094932 JCGQYBWXVXCSMS-UHFFFAOYSA-N 468.129 4.529 50 10 JJGE O=S(=O)(c1cc(CBr)n(C2CC2)c1)N(CCC(F)(F)F)Cc1ccccc1 2179857818 FHYZFAOHKRCVFE-UHFFFAOYSA-N 465.335 4.861 50 10 JJGE C[C@@H](CO[C@@H](CI)c1ccc(Br)cc1)N1CCCCC1 2186735965 QSLMZAYOIZCOHD-BBRMVZONSA-N 452.174 4.816 50 10 JJGE Cc1oc(C)c(S(=O)(=O)N2CC[C@@]2(C)CCOCc2ccccc2)c1CBr 2197752514 KQPVJSSZQUSLNB-FQEVSTJZSA-N 456.402 4.551 50 10 JJGE Fc1cc2c(cc1I)nc(CCl)n2C[C@]1(Br)CC1(F)F 2202507098 UUEPTDJEHJUPHK-LLVKDONJSA-N 479.465 4.692 50 10 JJGE BrCCCOC1CCN(Cc2c(Br)cccc2Br)CC1 2207520217 UUVWUMRSWLCWJL-UHFFFAOYSA-N 470.043 4.978 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](O[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 2217092507 ZXQDVCDPFGHMKL-MROQNXINSA-N 463.278 4.547 50 10 JJGE COC[C@@]1([C@@H](Br)c2cc(Br)c(Br)cc2F)CCCO1 2225617599 UWFOEMXIWQRCRW-QWHCGFSZSA-N 460.963 4.982 50 10 JJGE CC1CC(CBr)(CN=[S@@](=O)(C(C)C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 2265305192 ZEDGRNORXGQCIV-KNGADLIOSA-N 451.471 4.683 50 10 JJGE C[C@@]1(CBr)CCCN(C(=O)c2ccc(Cl)c(I)c2)C1 2268342296 SDYZBYYCZBHHLI-AWEZNQCLSA-N 456.549 4.582 50 10 JJGE C[C@@]1(CNC(=O)c2cc(Cl)ccc2I)CCC[C@@H]1Br 2271295690 KHZLZALTUVCMKV-JSGCOSHPSA-N 456.549 4.628 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H](CBr)C1CCCC1 2295315876 RBCKSWNJZOJWFA-AWEZNQCLSA-N 468.027 4.824 50 10 JJGE Cc1ccc(C(=O)N[C@H](CCBr)COCc2ccccc2)c(Br)c1 2303546428 CXZKRNBMCGMXMV-MRXNPFEDSA-N 455.190 4.858 50 10 JJGE Cc1cc(C(=O)N[C@H](CCCl)COCc2ccccc2)ccc1I 2303699201 IZVQDBUNMKWOEE-QGZVFWFLSA-N 457.739 4.544 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)c(OC)c1 2314634589 LIYBVBUYQQLBJH-AREMUKBSSA-N 454.482 4.541 50 10 JJGE O=C(NN=Cc1ccccc1C(F)(F)F)c1cc(-c2ccccc2)nc(N2CCCCC2)n1 2323756381 KIOHUZNKMDOVSR-UHFFFAOYSA-N 453.468 4.917 50 10 JJGE O=C(c1c(Br)cccc1Br)N1[C@H]2CC[C@@H]1[C@@H](CBr)C2 2329065760 DCPGNNBQAVHTNO-VDDIYKPWSA-N 451.984 4.600 50 10 JJGE N#CC(=C(O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc3ccccc3c2)cs1 2331239008 KRGXLLVBUCLVDO-UHFFFAOYSA-N 482.477 4.960 50 10 JJGE C[C@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)CC1=O 2331335929 YSXRJDODJQFSKW-CRAIPNDOSA-N 459.527 4.941 50 10 JJGE Cn1cnc(Br)c1[C@@H](Br)c1cc2c(cc1Br)OCCC2 2369630763 CIDLRVPGWURIER-LBPRGKRZSA-N 464.983 4.754 50 10 JJGE Cn1ncc(Br)c1[C@@H](Br)c1cc2c(cc1Br)OCCC2 2369639156 BIVSPYHJXHQQPB-ZDUSSCGKSA-N 464.983 4.754 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@H]1c1ccc(F)cc1 38652484 KVZHGBUFBQRRBM-HSZRJFAPSA-N 450.853 4.682 50 10 JJGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])cc1 38654935 UJXADOBMCLKOAS-DEOSSOPVSA-N 491.887 4.759 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2OC)cc1 38658862 OLOHRSBCZLJOAI-RUZDIDTESA-N 486.524 4.930 50 10 JJGE COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O 39858595 SAZIDDICHJUVFI-PEZBUJJGSA-N 472.888 4.694 50 10 JJGE COc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3)nc3c(C)cccn3c2=O)c1 39992903 BZJGAPLSUZPSRC-XMHGGMMESA-N 466.497 4.658 50 10 JJGE Cc1c(C(=O)NCCC(C)C)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812948 GUESUTUGOKRPKP-KOEQRZSOSA-N 460.372 4.597 50 10 JJGE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 108341667 WMVYBBWDFRHJPT-HPAITCNKSA-N 478.505 4.851 50 10 JJGE CCc1ccccc1N(CC(=O)NN=Cc1ccc(SC)cc1)S(=O)(=O)c1ccc(C)cc1 252618199 LEWWKCUMXXFBPL-UHFFFAOYSA-N 481.643 4.625 50 10 JJGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(N3CCOCC3)o2)cc1 252627369 RSTBZDBYMMXTEK-UHFFFAOYSA-N 454.530 4.646 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@@H](c2ccc(I)cc2)C1 382699251 WGHPGMHWRSJOSC-TZMCWYRMSA-N 466.157 4.637 50 10 JJGE O=C(NNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1cccc2cccnc12 727732538 PONQEKYHDQDIBA-UHFFFAOYSA-N 467.460 4.529 50 10 JJGE Cc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccccc1Br 1084169224 RCSXHWUCYDVSEJ-JOCHJYFZSA-N 454.368 4.821 50 10 JJGE COc1ccc(N2C[C@H](C(=O)NN=Cc3c(OCc4ccccc4)ccc4ccccc34)CC2=O)cc1 1084258135 ITLGRQNBBHUJEA-HSZRJFAPSA-N 493.563 4.931 50 10 JJGE Cc1cccc(N(CC(=O)NN=Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 1084603600 YNUBRHJMTNGJLR-UHFFFAOYSA-N 476.385 4.647 50 10 JJGE CC(=O)N(c1ccc(NC(=O)NNC(=O)c2cc3c(s2)CCCCCC3)cc1)[C@@H]1C[C@@H]1C 1310777232 DBHBMYRTDXXVOM-MGPUTAFESA-N 454.596 4.635 50 10 JJGE CC(C)(C)[Si](O[C@H]1CC[C@H]2[C@@H]1OCC(=O)N2Cc1ccccc1)(c1ccccc1)c1ccccc1 1857788644 KFRMICKYMZONRP-YCVJPRETSA-N 485.700 4.522 50 10 JJGE Cc1cc(C)c(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)c(C)c1 1858682673 DTZJZEYWYBIAIX-UHFFFAOYSA-N 450.451 4.543 50 10 JJGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(C(=O)O)cc2)cc1 1865709280 SWECCDGLEQZBDX-HSZRJFAPSA-N 462.509 4.823 50 10 JJGE Cc1cc(Br)c(C(=O)NC[C@@H]2C[C@H]2Br)cc1NC(=O)OC(C)(C)C 1910122647 GGEMSMKLWNDVBU-CMPLNLGQSA-N 462.182 4.618 50 10 JJGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1csc(I)c1 1914654395 GKHZJDXQAMCQTB-NSHDSACASA-N 464.166 4.779 50 10 JJGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 1916364729 OZJQHELWXBSUFM-AWEZNQCLSA-N 467.212 4.594 50 10 JJGE O=C(NC[C@H](CBr)C(F)(F)F)c1csc(Br)c1Br 2043325611 KAZAXNBWYKXREQ-BYPYZUCNSA-N 473.934 4.576 50 10 JJGE FC(F)(F)c1ccnc(-n2nc(CBr)c(I)c2C(F)(F)F)c1 2078930626 XVNYNELNZFKIGO-UHFFFAOYSA-N 499.978 4.804 50 10 JJGE COCC12CC([C@H](Br)c3cc(Br)sc3Br)(CO1)C2 2085223332 YDMLQATXJJRLRD-OIKLOGQESA-N 461.013 4.905 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CCC[C@H](CCBr)C1 2094088449 LETSEABQPKBAED-SNVBAGLBSA-N 454.000 4.849 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1[C@H]2CC[C@@H]1C[C@@H](Br)C2 2098694632 MTZSTVHSSVNKPJ-XYYAHUGASA-N 451.984 4.742 50 10 JJGE C[C@H](CCCCCI)NC(=O)c1ccc(F)cc1I 2117891668 AJJKZMMVVYJKIT-SNVBAGLBSA-N 489.110 4.544 50 10 JJGE C[C@H]1[C@@H](Br)C[C@@H](C)CN1C(=O)c1cc(Br)c(Br)s1 2220342608 AVNTWUXLLISSGF-CSMHCCOUSA-N 460.029 4.907 50 10 JJGE F[C@@H](COc1c(Br)cc(CBr)cc1Br)[C@H]1CCOC1 2229950527 ULZMXXGBHMBKCN-CABZTGNLSA-N 460.963 4.860 50 10 JJGE Cl[C@@H]1C[C@@H]2CCCC[C@@H]2N(c2ncc(I)cc2Br)C1 2264953297 IWWUKUNWJGGPIA-CWSCBRNRSA-N 455.565 4.825 50 10 JJGE CC(C)CN(C[C@H](C)Br)C(=O)c1ccc(I)c(Cl)c1 2272457430 MPUXJOJLEFFCOL-JTQLQIEISA-N 458.565 4.826 50 10 JJGE CCOc1cc(C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCC(C)C 2314618011 FUBZPLMGLZPBHX-UHFFFAOYSA-N 454.567 4.527 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1 2314618891 WFIOJSDSQVROJG-UHFFFAOYSA-N 496.567 4.567 50 10 JJGE CN(C)c1ccc([C@H](CNC(=O)C(C#N)=Cc2cccc(Br)c2)N2CCCCC2)cc1 2329694572 MQXQJBLJFVYFQE-DEOSSOPVSA-N 481.438 4.765 50 10 JJGE Cc1cc(Br)c(NC(=O)C(C#N)=Cc2cccc(Br)c2)c(C(=O)O)c1 2329697763 NTRPFNGTPUQJIN-UHFFFAOYSA-N 464.113 4.764 50 10 JJGE O=C(c1c(Br)cccc1Br)N1[C@H]2CC[C@@H]1C[C@H]2CBr 2330469135 DCPGNNBQAVHTNO-SBMIAAHKSA-N 451.984 4.600 50 10 JJGE Clc1ccc(CN2CCC(OCCCBr)CC2)cc1I 2362367413 BZPNRUUZCJWGGX-UHFFFAOYSA-N 472.592 4.711 50 10 JJGE O=C(N[C@@H]1C[C@H](CBr)C12CCC2)c1cccc(Br)c1Br 2379697426 SFHFZFZGCSUIRV-BXKDBHETSA-N 466.011 4.895 50 10 JJGE Cc1ccccc1C[C@H]1S/C(=C(\C#N)C(=O)NCc2ccccc2)N(c2ccc(F)cc2)C1=O 1888730 AJTFVZDZUDSQMB-GUNDDFSMSA-N 471.557 4.877 50 10 JJGE C/C(=N\NC(=O)[C@H](O)c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 20157813 GHDAVXLKMHMGEI-WSSSDRMFSA-N 456.329 4.820 50 10 JJGE COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)c1C 22093686 DPQICCOWNGGYOC-KPFIQVAJSA-N 473.573 4.621 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1 38650280 VNBWXFTWXSKZAW-QFIPXVFZSA-N 477.314 4.895 50 10 JJGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c1 39992890 WKNUBCJNHXCYQZ-HMMYKYKNSA-N 450.498 4.958 50 10 JJGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812123 XHDWJSMFSWMIIO-XHLNEMQHSA-N 454.486 4.565 50 10 JJGE CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OCC)cc1 40868438 PCUQECLXTKXTEJ-ALCUREISSA-N 474.513 4.857 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCc1ccc(Cl)cc1 40995377 IJHATMGCCRWUQG-CPNJWEJPSA-N 464.905 4.703 50 10 JJGE Cc1cc(OCC(=O)NN2C(=O)[C@@H](Cl)[C@@H]2c2ccccc2Cl)nc2cc(Cl)c(F)cc12 98065009 XCJLRNLPCFOKRN-PMACEKPBSA-N 482.726 4.590 50 10 JJGE COc1cc(OC)c([C@@H](Br)c2ccc(I)cc2)c(OC)c1 109849153 DXVPFUQAGRFVPW-INIZCTEOSA-N 463.109 4.801 50 10 JJGE CC(CBr)(CBr)NC(=O)c1cc(Br)c(Br)s1 129486287 QTEAGZNMAMGVMZ-UHFFFAOYSA-N 498.860 4.551 50 10 JJGE O=C(NC[C@@H]1CCCC[C@H]1CCl)c1cc(I)ccc1Br 236015507 DCURNOWWUYVGLM-QWRGUYRKSA-N 470.576 4.829 50 10 JJGE O=C(N[C@@H]1CCC[C@@H](CBr)C1)c1ccc(I)c(Cl)c1 388120109 JREXSXCJIIIWNL-MWLCHTKSSA-N 456.549 4.628 50 10 JJGE C[C@H]1CCCN(C(=O)c2cc(Br)c(Br)s2)[C@H]1CBr 688625471 VZGGQVPSKLOOSV-CBAPKCEASA-N 460.029 4.909 50 10 JJGE C[C@H]1CCN(C(=O)c2cc(Br)cc(Br)c2)C[C@H]1CBr 700431725 JQNURXUEBXEVRT-GXSJLCMTSA-N 454.000 4.705 50 10 JJGE COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(OC3CCCC3)c(OC)c2)c1C 916073740 FUIBISIRIQVNID-IQJJTXKVSA-N 465.594 4.866 50 10 JJGE Cc1ccc(-n2nc(C)c(C=NNC(=O)CN(Cc3ccccc3)Cc3ccccc3)c2C)cc1 1083952079 HGCNBRKMGIEVGC-UHFFFAOYSA-N 465.601 4.950 50 10 JJGE O=C(NN=Cc1cccc2ccccc12)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 1084221537 IVYMDYQGJREIHD-UHFFFAOYSA-N 462.597 4.922 50 10 JJGE CCOc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc1OC 1614618976 UTUXBYMAHFEIRI-RBUKOAKNSA-N 451.348 4.745 50 10 JJGE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704909 HRQVTYYMEDVVGX-QHCPKHFHSA-N 472.545 4.547 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc(OC)c1O 1865715073 VAZFGRZVGUVCDL-QHCPKHFHSA-N 498.514 4.678 50 10 JJGE Clc1ccc(CC(CBr)CBr)c(I)c1 1889651479 HIWMWUAOSREYLZ-UHFFFAOYSA-N 452.355 4.893 50 10 JJGE O=C(N[C@H](CBr)CC1CCCCC1)c1csc(I)c1 1926766507 JFZOKOJFDYDFIC-LBPRGKRZSA-N 456.187 4.816 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1[C@H]2CC[C@@H]1C[C@H](Br)C2 2037417093 RUVJWEALSPUKIF-RNLVFQAGSA-N 458.013 4.804 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CC[C@H](Br)[C@H]2CC[C@@H]21 2069994151 WTBKURWPNVCOLF-YEPSODPASA-N 458.013 4.661 50 10 JJGE C[C@@H](Br)[C@H](NCc1cc(Cl)ccc1I)C(F)(F)F 2074728827 BJFJSPDYJVNNIN-LDWIPMOCSA-N 456.471 4.749 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CCSC[C@@H]1CCBr 2092334881 XMTOKZPEDDWFGA-VIFPVBQESA-N 472.040 4.554 50 10 JJGE O=C(c1c(Br)cccc1Br)N1[C@H]2CC[C@@H]1C[C@H](Br)C2 2098693650 GOAABZKEPSNIFE-ILWJIGKKSA-N 451.984 4.742 50 10 JJGE CC(C)[S@@](=O)(=NCC1(CBr)CCCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2126849975 JPTKBKKSYDDQSV-QMTYFTJSSA-N 451.471 4.828 50 10 JJGE CC1(C)C[C@H](CBr)CN1C(=O)c1ccc(I)c(Cl)c1 2127824722 VPPMRXNRLWCFQR-SECBINFHSA-N 456.549 4.580 50 10 JJGE CCN(C[C@](C)(CI)OC[C@H]1C[C@@H]1C1CCOCC1)C(=O)OC(C)(C)C 2135988749 FCMUNUSGXZAZPR-HLIPFELVSA-N 481.415 4.516 50 10 JJGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2CCC[C@H](Cl)[C@H]2C1 2150974106 UTIMAHGVLUTJCR-XDTLVQLUSA-N 468.560 4.533 50 10 JJGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CCl)c(Br)c1 2152215047 ODHXAJQUCQJCKY-UHFFFAOYSA-N 473.864 4.721 50 10 JJGE CC(C)(C)OC(=O)N[C@H](C[S@@](C)(=O)=NC(=O)[C@@H](Br)C1CCCC1)C(C)(C)C 2167032092 HPSQOEWCWNBWLH-CLTPODQCSA-N 467.470 4.504 50 10 JJGE O=C(NC[C@@H]1C[C@H](Cl)C12CCC2)c1ccc(I)c(Br)c1 2172238946 WGYYMDCTGIFWHH-GWCFXTLKSA-N 468.560 4.581 50 10 JJGE O=C(NC[C@@H]1CCCC[C@@H]1CCl)c1ccc(Br)cc1I 2207268688 NDYBUHVZNAULTK-MNOVXSKESA-N 470.576 4.829 50 10 JJGE C[C@@H](CBr)CC1CN(C(=O)c2cc(Br)cc(Br)c2)C1 2230699256 FBDMRWOSZILDNP-SECBINFHSA-N 454.000 4.705 50 10 JJGE CN(C(=O)c1csc(I)c1)[C@@H](CBr)c1ccccc1 2279000180 PFBUBSHSOOBBJA-LBPRGKRZSA-N 450.139 4.561 50 10 JJGE O=C(NN=Cc1ccc(Cl)c(Cl)c1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295482988 NIUZPRMCZZVPPK-UHFFFAOYSA-N 482.323 4.643 50 10 JJGE N#CC(=CNc1ccc(S(N)(=O)=O)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2296800772 VEZJCEINSJLNDM-UHFFFAOYSA-N 451.360 4.741 50 10 JJGE CC1(C)CN(Cc2ccc(I)c(Br)c2)C[C@H]1Br 2306225425 WDCWXXBNIGKBRL-GFCCVEGCSA-N 472.990 4.659 50 10 JJGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2ccccc2C#N)c(Br)c1 2313568613 XAXANHSHLBSGQE-UHFFFAOYSA-N 489.167 4.657 50 10 JJGE O=C(NN=Cc1cc(Cl)c(O)c(Cl)c1O)c1ccc2nc(Cc3ccccc3)[nH]c2c1 2323723963 JHKIBLQGPJMPME-UHFFFAOYSA-N 455.301 4.636 50 10 JJGE C[C@]12CN(Cc3ccc(I)c(Br)c3)C[C@@]1(CBr)C2 2325220322 HOBUCSSWRXFKPK-KBPBESRZSA-N 485.001 4.661 50 10 JJGE C[C@@H]1CN(C(=O)c2ccc(Cl)cc2I)[C@H](C)C[C@H]1Br 2340061930 SUVGRASGLZCQRF-KBVBSXBZSA-N 456.549 4.579 50 10 JJGE Fc1cc(CCl)cnc1OCc1ccc(I)c(Br)c1 2350074127 YTDHOXGBEIZDGC-UHFFFAOYSA-N 456.480 4.906 50 10 JJGE O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(OCCOc2ccccc2)cc1 14039476 HRVCWULVBHYPCB-UHFFFAOYSA-N 466.537 4.738 50 10 JJGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc(OC(C)C)c(Br)c2)c1 14658878 RBWLZTVUORAXBF-UHFFFAOYSA-N 463.372 4.508 50 10 JJGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(\C#N)C(=O)NCCc2ccccc2)cc1 16739726 AHGIQEFSNIYXEF-CHTIKVTKSA-N 467.594 4.780 50 10 JJGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2OC)cc1 38657005 KNSYRIDTSRZEJV-SANMLTNESA-N 484.508 4.706 50 10 JJGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)c1C 59147526 NFUWEEVHCLTSNU-VSWHYLHOSA-N 477.565 4.858 50 10 JJGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C1=O 101332994 LXPHKHZXIYQGAU-HZHRSRAPSA-N 494.551 4.703 50 10 JJGE CCCn1ncnc1CC(CBr)(CBr)c1ccccc1Br 118879029 OPFIFWAQDQFCIG-UHFFFAOYSA-N 480.042 4.721 50 10 JJGE O=S(=O)(NC1(CBr)CCCCC1)c1cc(Br)ccc1Br 136565974 NCBWCEHNFIFIFD-UHFFFAOYSA-N 490.055 4.588 50 10 JJGE CCCOc1ccc(/C=N\NC(=O)c2cccn(Cc3ccc(Cl)c(Cl)c3)c2=O)cc1 169920455 LCBWTLCQYRBXBR-WGARJPEWSA-N 458.345 4.756 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1 206734497 GMSOYEFNNGXXTR-HKWRFOASSA-N 458.514 4.785 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)NCC[C@H](C)CCBr)cc1Br 397870543 IRPYFSQHZJOEEH-SECBINFHSA-N 492.071 4.610 50 10 JJGE C[C@@H]1CCCN(C(=O)c2ccc(I)c(Br)c2)[C@@H]1CCCl 721623820 VGHIOOXQHGUJBY-QMTHXVAHSA-N 470.576 4.923 50 10 JJGE O=C1Nc2c(cccc2C(F)(F)F)C1=NNC(=O)c1ccccc1OCc1ccc(F)cc1 767081734 OQRYUAYYXWKGCX-UHFFFAOYSA-N 457.383 4.510 50 10 JJGE COc1cc(C=NNC(=O)c2ccncc2)cc(Br)c1OCc1ccc(Cl)cc1 1084198622 CUEHFZPYVGDYCH-UHFFFAOYSA-N 474.742 4.849 50 10 JJGE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NNc2ccc(Br)cc2CC)cc1 1465399153 YZSZUPQEZZOBOV-UHFFFAOYSA-N 457.372 4.974 50 10 JJGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1 1865693306 NAMSPOUSNNDGEX-LJQANCHMSA-N 484.478 4.966 50 10 JJGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696018 JUANYVLNHQCKAT-FQEVSTJZSA-N 483.341 4.709 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865712734 GKQPNDZASDVSPQ-HSZRJFAPSA-N 497.486 4.872 50 10 JJGE C[C@@H](NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867193763 DSTJFQCMIYKTMC-MRXNPFEDSA-N 482.569 4.604 50 10 JJGE C[C@@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1cc(CCl)oc1Br 1892694459 DJOCPLIGIDCOBM-SFHVURJKSA-N 462.793 4.541 50 10 JJGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)CCCOCc1ccccc1 1915770255 BIARLGSLQHYMDA-UHFFFAOYSA-N 454.430 4.599 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2010827561 SQFIFZXBUQQTDZ-FGTMMUONSA-N 475.721 4.518 50 10 JJGE O=C(c1csc(Br)c1Br)N1CC[C@H](Br)[C@@H]1C1CC1 2067016958 OQWDKSVMQHVBEF-WPRPVWTQSA-N 458.013 4.661 50 10 JJGE Cc1cnc(-n2nc(CBr)c(I)c2C(F)(F)F)c(C)c1C 2078916351 SCILLERIZWWREO-UHFFFAOYSA-N 474.062 4.711 50 10 JJGE C[C@H]1C[C@@H](Br)[C@H](C)CN1c1ncc(C(F)(F)F)cc1I 2149531793 PYJGJWIUGNANFY-KHQFGBGNSA-N 463.079 4.703 50 10 JJGE CN([C@@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1F 2179861841 NGPFYNMQSXZDDD-IAGOWNOFSA-N 476.795 4.742 50 10 JJGE CC(C)(C)OC(=O)N1CCN(CCCCCCBr)CCN(C(=O)OC(C)(C)C)CC1 2212501758 SLKKMHMCAHRQAL-UHFFFAOYSA-N 492.499 4.732 50 10 JJGE COCCN1C[C@@H](Cl)[C@H](c2sc(Br)c(Br)c2Br)C1 2222446941 CRFOVWJAIITDTQ-RNFRBKRXSA-N 482.463 4.689 50 10 JJGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)cc1 2296542714 CSHYTXJJOGWMIA-UHFFFAOYSA-N 484.487 4.879 50 10 JJGE C=CC[C@@H](Br)[C@@H]1CCN1C(=O)c1cc(Br)c(Br)s1 2314221750 APRGWDJXYAHXEU-APPZFPTMSA-N 458.013 4.827 50 10 JJGE COc1c(Cl)cc(CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Br)cc1Cl 2317894250 WFVMOPYOQOBSRW-RISCZKNCSA-N 455.176 4.901 50 10 JJGE CCCOc1c(OC)cc(C=NNC(=O)c2ccc3nc(SC(C)C)[nH]c3c2)cc1OC 2323606954 SRDOXYNINLROKD-UHFFFAOYSA-N 456.568 4.633 50 10 JJGE CCOc1cc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OCc1ccccc1 2328799901 ODQHLPFJGNCNOP-QHCPKHFHSA-N 469.582 4.664 50 10 JJGE C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl 2328818657 DIFGLTOQQQTKMS-AWEZNQCLSA-N 466.365 4.936 50 10 JJGE N#CC(=C(O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccccc2)cs1 2331304955 YFTKXMCEVMAQGW-UHFFFAOYSA-N 460.471 4.587 50 10 JJGE COc1c(F)cc(CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)cc1F 2363441911 BSPCDCYDJOSZJF-LJQANCHMSA-N 497.320 4.695 50 10 JJGE COc1ccc(CCl)c(OCc2ccc(I)c(Br)c2)n1 2377624757 MFYNERGYNMIWJA-UHFFFAOYSA-N 468.516 4.775 50 10 JJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 12578962 UIVCCEUBWFIMAH-HNNXBMFYSA-N 486.355 4.783 50 10 JJGE COc1ccc(COc2ccc(/C=N/NC(=O)CCCNc3ccc(Br)cc3)o2)cc1 20291470 FTDDEERKUKOUOT-CVKSISIWSA-N 486.366 4.972 50 10 JJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)c1 38659721 DOLODVFCNVQFAO-HSZRJFAPSA-N 462.889 4.795 50 10 JJGE COc1cc(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1O 59336362 JOLASXNQTOYKGM-BJMVGYQFSA-N 489.096 4.858 50 10 JJGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1cccnc1)[C@@H]2Br 100869343 SRFHYPAHOPWXIM-ONERCXAPSA-N 481.026 4.706 50 10 JJGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1=O 214255290 PGIXODGYYNGARQ-NQRZERFFSA-N 481.512 4.838 50 10 JJGE COc1cccc(C=NNC(=O)c2cc(O)ccc2O)c1OCc1ccc(Cl)cc1Cl 254870303 QPELOJMXOHCKKH-UHFFFAOYSA-N 461.301 4.756 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@H](c2ccc(I)cc2)C1 382699249 WGHPGMHWRSJOSC-OCCSQVGLSA-N 466.157 4.637 50 10 JJGE C[C@H]1CC[C@H](Br)CN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 399375327 UKWBMWYXYIAOFJ-YUMQZZPRSA-N 466.022 4.692 50 10 JJGE CCn1ccnc1CC(CBr)(CBr)c1ccccc1Br 692510002 ADXUOJUWJZWICO-UHFFFAOYSA-N 465.027 4.936 50 10 JJGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1 1084018900 DVVJZWGOXHPKSX-VGOFMYFVSA-N 482.147 4.925 50 10 JJGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1 1084290634 HRZDITZNZROXPM-JOCHJYFZSA-N 452.938 4.892 50 10 JJGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc(C)c1)CCC2 1772744665 FWMAASHCRQMXMI-UHFFFAOYSA-N 473.529 4.796 50 10 JJGE C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@@H]4C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl 1848435305 PGAGVJAYRDPYKY-ASYPAOSZSA-N 484.976 4.668 50 10 JJGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1ccc(Br)cc1 1865693105 LDPOCDDMUYFSOU-HXUWFJFHSA-N 495.377 4.823 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc(Cl)c1O 1865706924 IYNBVRSHQDZQMQ-INIZCTEOSA-N 494.832 4.675 50 10 JJGE COc1ccc(CCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1 1865759012 DNUCZQJVPGCNJC-UHFFFAOYSA-N 458.345 4.766 50 10 JJGE COc1ccccc1-c1ccc(C(=O)NNC(=O)/C=C/c2ccc(Cl)cc2Cl)c(C)n1 1865760261 OXBRKJMLHNTRNB-XYOKQWHBSA-N 456.329 4.847 50 10 JJGE O=C(NCC[C@@H]1CCC[C@@H]1Br)c1cc(Cl)ccc1I 1913720885 JBJVDVXECJGHDH-CABZTGNLSA-N 456.549 4.628 50 10 JJGE O=S(=O)(c1ccc(Br)s1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915167228 UXQFQRRKKPAURF-AWEZNQCLSA-N 479.259 4.875 50 10 JJGE Cc1nc(COc2ccc(C=NNC(=O)c3cc(-c4cccs4)nc4ccccc34)cc2)no1 2070322340 WTKYYQVZRBAJMA-UHFFFAOYSA-N 469.526 4.998 50 10 JJGE CCC[C@](C)(CBr)NC(=O)c1ccc(Br)cc1I 2086145852 SBTQXWCMWBYGSV-CYBMUJFWSA-N 488.989 4.737 50 10 JJGE CCc1ccc(CBr)cc1S(=O)(=O)N(CCCCOC)Cc1ccccc1 2179861874 NUNWUXOGPHKPGZ-UHFFFAOYSA-N 454.430 4.761 50 10 JJGE O=C(NCC1CC2(CC[C@@H]2Cl)C1)c1ccc(Br)cc1I 2207264546 GPJACKSSFBJNEC-MEXZMNCTSA-N 468.560 4.581 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(OCCCCC(F)(F)F)CC1 2216439748 STSZVGYLDRLULC-UHFFFAOYSA-N 465.294 4.940 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@H](Br)CCC12CC2 2227506388 QHXJSXCYZHGNSI-SNVBAGLBSA-N 451.984 4.744 50 10 JJGE C[C@H]1C[C@H](Br)CCN(C(=O)c2ccc(Cl)c(I)c2)C1 2268353141 RWVLEAOLSRKJMT-GXSJLCMTSA-N 456.549 4.580 50 10 JJGE COc1ccc([C@@H](Br)c2cc(I)ccc2F)c(OC)c1 2287095015 VGACSQLDGUXDSA-OAHLLOKOSA-N 451.073 4.932 50 10 JJGE COc1ccc(CCNC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccccc2)cc1OC 2295248949 SNAHDHPNQQVGIQ-UHFFFAOYSA-N 478.552 4.822 50 10 JJGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1c(F)cc(Br)cc1F 2320360136 DMJRFNNTXZENGB-AWEZNQCLSA-N 477.143 4.828 50 10 JJGE COc1cc(C=NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc([N+](=O)[O-])c1O 2321242350 OWBZAAZCZTXSDA-UHFFFAOYSA-N 475.288 4.750 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1[C@H]2CCC[C@H]2C[C@@H]1CBr 2365595183 HLPUVMQBOXZZGE-PXWWUCIGSA-N 468.560 4.723 50 10 JJGE CCOc1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)c(F)c1 2367475105 UWJCYGNKCGXPBM-SNVBAGLBSA-N 470.962 4.967 50 10 JJGE CCn1nc(Br)c(COc2c(C)cc(Br)cc2CBr)n1 2379954366 LNGHLNDHDSPBFC-UHFFFAOYSA-N 467.987 4.605 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C[C@]3(CBr)CC3(F)F)CC2)C1 2379981977 RXXWSMSKZSZDRA-VQIMIIECSA-N 451.396 4.766 50 10 JJGE O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1ccccc1OCCc1ccccc1 10508827 WRVWWNRPGDRWBL-UHFFFAOYSA-N 466.537 4.815 50 10 JJGE N#C/C(=C/c1cccc(OC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1)c1ccccc1F 31902814 YRECQMOTYAPYTK-PGMHBOJBSA-N 476.529 4.894 50 10 JJGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)c(OC)c1 34896131 PMKKFLZTYRICAT-PRNVYGQNSA-N 455.514 4.540 50 10 JJGE COc1ccc2c(c1)/C(=N\NC(=O)c1cc(-c3ccccc3)nc3ccccc13)C(=O)N2C(C)C 38180307 WGOMDVGMVXNCEK-URGPHPNLSA-N 464.525 4.800 50 10 JJGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)cc1 38678950 KJNYJUNVGZIEDU-XMMPIXPASA-N 491.341 4.824 50 10 JJGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCC)c2)c1 38684948 VYDCNMMAZRJXOB-VWLOTQADSA-N 456.498 4.921 50 10 JJGE Cc1ccc(C(=O)NNc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2[N+](=O)[O-])cc1 40657546 PWTBZSJBIDSCPT-UHFFFAOYSA-N 456.462 4.986 50 10 JJGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccnc2)CCC3)cc1 40814146 MPQIRHDDGKMPSN-XHLNEMQHSA-N 460.534 4.885 50 10 JJGE COc1cc(/C=N/NC(=O)COc2ccc(C)cc2Br)ccc1OCCc1ccccc1 40911677 UWUCDZWJUIEAJV-JVWAILMASA-N 497.389 4.917 50 10 JJGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1ccccc1Cl 58989385 HFCQOBCWYHUAKZ-WPWMEQJKSA-N 476.005 4.948 50 10 JJGE COc1cc(/C=N/NC(=O)Nc2cccc(Cl)c2)ccc1OCc1cccc(C(=O)O)c1 59249907 NTRCOYZSGAULMV-DHRITJCHSA-N 453.882 4.781 50 10 JJGE O=C(CCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1ccc(Br)cc1 59516458 GAYXLBROPHTPFF-BHGWPJFGSA-N 473.249 4.719 50 10 JJGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 101234382 LHWSUDDWRCUCSM-FOWTUZBSSA-N 450.417 4.699 50 10 JJGE CCOC(=O)c1ccccc1NC(=O)[C@H](Br)[C@@H](Br)c1ccccc1 101642818 COJIMHIKKDVVEW-JKSUJKDBSA-N 455.146 4.702 50 10 JJGE O=C1CCc2cc([C@H](Br)c3ccc(I)cc3)c(F)cc2N1 109872913 IZUWMFSVBMBWQU-MRXNPFEDSA-N 460.084 4.799 50 10 JJGE CC(=O)Oc1cc2c(s1)CCN([C@H](C(=O)CCCBr)c1ccccc1F)C2 148044654 FJECXOBZPLRIGL-FQEVSTJZSA-N 454.361 4.656 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)c1OC 205648565 DTQIATICIVTHID-VETRKHTQSA-N 468.509 4.849 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 214380171 JMPXTQWFSQEDOO-XKZIYDEJSA-N 453.454 4.956 50 10 JJGE O=C(c1cc(I)ccc1Br)N(CCCCl)C1CCC1 236030204 CQOFMBMWLFMOQY-UHFFFAOYSA-N 456.549 4.677 50 10 JJGE Cc1cc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)ccc1F 382682785 DBLKWSLWPQGOJV-MSOLQXFVSA-N 453.295 4.921 50 10 JJGE Cc1cc(F)ccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382722441 OCGCCFAGJJAKJI-VQIMIIECSA-N 453.295 4.921 50 10 JJGE C[C@@H]1CCN(c2ncc(C(F)(F)F)cc2I)C[C@H]1CBr 686114454 PEYDXTCKRAHMLU-RKDXNWHRSA-N 463.079 4.562 50 10 JJGE CCOc1ccc(C(=O)NN=Cc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 1084080834 PQKYROQQEKWZFT-UHFFFAOYSA-N 453.882 4.990 50 10 JJGE O=C(COc1ccc(Br)cc1Br)NN=Cc1ccc(Br)s1 1084111922 TXKZKFGIJXMYAE-UHFFFAOYSA-N 497.006 4.565 50 10 JJGE C#C[C@H](NC(=O)NNc1cc(Cl)ccc1Br)c1ccc(Br)cc1 1252459349 QWZQNXYBPVMEQG-AWEZNQCLSA-N 457.553 4.866 50 10 JJGE C#C[C@@H](NC(=O)NNc1ccc(Cl)cc1Br)c1ccc(Br)cc1 1470663109 LBFPQNOJOZYPEA-CQSZACIVSA-N 457.553 4.866 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2ccc([N+](=O)[O-])cc2Cl)C1 1614634862 GXJKVXGHKWQGCU-PBHICJAKSA-N 453.720 4.995 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1865680590 PJKZDTVTWQGKEA-NRFANRHFSA-N 456.889 4.822 50 10 JJGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696794 KPVPDYUQNCKYAL-HSZRJFAPSA-N 462.525 4.647 50 10 JJGE Brc1cc(CNC2CC2)cc(Br)c1OC[C@H]1C[C@H]1Br 1887832781 JYLATZSGMVPNCB-MWLCHTKSSA-N 454.000 4.626 50 10 JJGE C[C@H]1C[C@H](Br)CCN(C(=O)c2cc(Br)cc(Br)c2)C1 2103284675 GNCSJZHJOURWBB-GXSJLCMTSA-N 454.000 4.847 50 10 JJGE BrC[C@H]1CN(Cc2ccc(Br)cc2Br)CC2(CCC2)O1 2165762204 BSIUTBAODNPEHW-ZDUSSCGKSA-N 468.027 4.730 50 10 JJGE C[C@@H](CCCCCI)NS(=O)(=O)c1c(Cl)cccc1Br 2174526944 NZLPOELGRJDDRN-JTQLQIEISA-N 494.620 4.765 50 10 JJGE Fc1cc2c(cc1I)nc(CCCl)n2C[C@H]1C[C@@H](Br)C1 2196940574 BPLJVNHKDWAPKG-DTORHVGOSA-N 471.539 4.735 50 10 JJGE FC(F)OC1CC(CO[C@@H](CI)c2cccc(Br)c2)C1 2238472408 JZKCFYVRKZMFIW-LDUAJXOISA-N 461.084 4.960 50 10 JJGE COc1ccc([C@H](Br)[C@H]2C[C@H](Br)C2)cc1I 2243905550 PWLWXTKCCFKUGT-AUTRQRHGSA-N 459.947 4.909 50 10 JJGE C=CC[C@]1(CBr)CCCCN1C(=O)c1sccc1I 2272142187 XCYVGVYKTGKPIP-CQSZACIVSA-N 454.171 4.689 50 10 JJGE N#CC(=Cc1ccc(Br)cc1)C(=O)Nc1ccc(I)cc1 2329662457 YRAGLTDHXXHVNR-UHFFFAOYSA-N 453.077 4.599 50 10 JJGE N#CC(=C(O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(Cl)cc2)cs1 2331300499 LDOLDJLMMRELEO-UHFFFAOYSA-N 480.889 4.851 50 10 JJGE CCc1cccc(C)c1N1C[C@H](C(=O)Nc2sc(C(C)=CC#N)c(C)c2C(=O)OC)CC1=O 2331560399 SAEYBVNKXTURMW-GOSISDBHSA-N 465.575 4.632 50 10 JJGE CC1(C)CC(CBr)(CN=[S@](C)(=O)[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)C1 2345018872 KHKDMYPLXACIHB-OXWSONJVSA-N 451.471 4.589 50 10 JJGE CC(C)Oc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1Br 14658970 BEOXLJZLWOGCAR-HNNXBMFYSA-N 471.351 4.618 50 10 JJGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)CCC(=O)Nc1cc(C)ccc1C 14768586 JLTUQWCCPRECGR-VWLOTQADSA-N 473.573 4.694 50 10 JJGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)cc1 34261640 VDJQXRGBTAMPRP-QNGOZBTKSA-N 471.538 4.750 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)c1 38650222 ONGDQKFLCSWAHS-VWLOTQADSA-N 476.916 4.860 50 10 JJGE COc1cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)ccc1OCCc1ccccc1 40911651 IBDCHPLKKVGSDE-JVWAILMASA-N 452.938 4.808 50 10 JJGE O=S(=O)(NC[C@H]1CCCC[C@H]1Br)c1c(Cl)cc(Br)cc1Cl 136973389 DSFPEEFFFQZTHG-PSASIEDQSA-N 480.049 4.988 50 10 JJGE COc1ccc(C)cc1NC(=O)/C(C#N)=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1 217246040 DRAYEAPGJFNFAZ-DAFNUICNSA-N 466.585 4.757 50 10 JJGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@H]1CSCCS1 229628013 ZKVZJZOJZUFQML-BDAKNGLRSA-N 456.777 4.928 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CCCCC[C@H]1CCl 236039971 OGFNKHATSXHOFD-NSHDSACASA-N 456.549 4.677 50 10 JJGE CC(=NNC(=O)COc1c(Br)cc(C)cc1Br)c1ccc(F)cc1 252598956 DFKLZIBGGLDZRV-UHFFFAOYSA-N 458.125 4.578 50 10 JJGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C(C)/C=C\c2ccccc2)cc1OC 254816386 MPPFEAPKGKNHLG-OXRWVDNISA-N 469.541 4.680 50 10 JJGE C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1cc(CCl)sc1Br 382644684 IKDDBMYSDIKSTP-CQSZACIVSA-N 477.877 4.535 50 10 JJGE CCC[C@H](CCCl)CNC(=O)c1ccc(I)c(Br)c1 721616741 GOBOIGPCOSKQRX-SNVBAGLBSA-N 458.565 4.829 50 10 JJGE CC(=NNC(=O)CCC1CCCCC1)c1ccc(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)cc1 727260676 UYGLVLCMCNANNW-DEOSSOPVSA-N 475.593 4.649 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)c(-c2ccccc2)n1 918587725 HHLVZGCIVDYQMY-RCCKNPSSSA-N 499.521 4.770 50 10 JJGE C/C(=C\C(=O)NNC(=O)[C@@H](C)Oc1c(C)cc(Cl)cc1C)c1ccccc1C(F)(F)F 1289990836 RHPQWONPMFNZGU-AYJWMTRPSA-N 454.876 4.994 50 10 JJGE COc1cccc(CCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)c1 1865759386 XVGHZLXFFIODOI-UHFFFAOYSA-N 458.345 4.766 50 10 JJGE CCN(CC)Cc1ccc(/C=N\NC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)cc1 1865760510 BBOVJHJVIBXYTQ-QRQIAZFYSA-N 460.578 4.680 50 10 JJGE Cc1cc(S(=O)(=O)N2CC[C@@]2(C)CCOCc2ccccc2)sc1CBr 1892699612 BUQBSAJPDJAOGG-IBGZPJMESA-N 458.443 4.711 50 10 JJGE COc1ccc(Cn2nc(CBr)c(Br)c2C(F)(F)F)cc1OC 2079234484 XVQRHXNKXNNFNR-UHFFFAOYSA-N 458.072 4.625 50 10 JJGE COc1ccc(F)cc1Cn1nc(CBr)c(I)c1C(F)(F)F 2079246069 VSOHGUCSIVBYDK-UHFFFAOYSA-N 493.036 4.597 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CCC[C@@](F)(CBr)C1 2101309619 DGVWUVKOEWJUOP-CYBMUJFWSA-N 457.963 4.551 50 10 JJGE O=C(N[C@@H](CCl)c1cccs1)c1cc(Br)ccc1I 2119048867 YXHXDPCWCFEAET-NSHDSACASA-N 470.557 4.825 50 10 JJGE Cc1cccc(C(=O)N2CCC[C@@H]2C(C)(C)CBr)c1I 2155824704 NXSVYYWISYJTKV-CYBMUJFWSA-N 450.158 4.625 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2CCC[C@]2(CBr)C1 2159411252 XPAPPGYHOWBELA-ABAIWWIYSA-N 466.011 4.849 50 10 JJGE CC1(C)C[C@H](C[C@@H](Br)c2cc(I)cc3c2OCC3)CO1 2159418604 GWMDGXNQGWLKRY-IINYFYTJSA-N 451.142 4.867 50 10 JJGE CN(CC[C@@H](Br)c1ccccc1)C(=O)c1csc(I)c1 2168123712 CYEQDOURTDNPTH-CYBMUJFWSA-N 464.166 4.951 50 10 JJGE CN(Cc1ccccc1)C1CCN(S(=O)(=O)c2ccc(CBr)cc2Cl)CC1 2179786513 BMHALMRFXVGLKC-UHFFFAOYSA-N 471.848 4.520 50 10 JJGE BrCc1cc(Br)cc(Br)c1OCC12COCC(C1)C2 2228077186 JGPJYMSLDBINQW-UHFFFAOYSA-N 454.984 4.912 50 10 JJGE CC(C)(C)OC(=O)N[C@@H]1CCN(CCCCCI)[C@@H](C(F)(F)F)C1 2247410759 IIXKEWOEZKVLDG-CHWSQXEVSA-N 464.310 4.512 50 10 JJGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCCc2ccccc2)c1C 2296543596 OWBJEFVRIRPJHY-UHFFFAOYSA-N 478.552 4.678 50 10 JJGE Cc1ccc(C(=O)N[C@H](CCBr)COCc2ccccc2)c(Br)c1 2303548441 CXZKRNBMCGMXMV-MRXNPFEDSA-N 455.190 4.858 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccccc1 2314760354 MLJJNSWMKWCPCE-UHFFFAOYSA-N 474.513 4.666 50 10 JJGE C[C@H]1CN(Cc2ccc(I)c(Br)c2)C[C@]1(C)CBr 2325221827 IOKOVOBIZOFDOI-HZMBPMFUSA-N 487.017 4.907 50 10 JJGE CC(C)[C@@H](Br)C(C)(C)CNC(=O)c1cccc(F)c1I 2365867820 DCCYBMRMOLGFPE-CYBMUJFWSA-N 456.137 4.606 50 10 JJGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 10683666 DYRYRBISEJKSRM-XMSQKQJNSA-N 453.583 4.803 50 10 JJGE O=C(NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(OCc2ccccc2)cc1 14028010 JDKFGSUOTVLGHW-UHFFFAOYSA-N 495.604 4.733 50 10 JJGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)c1 38701244 FMIBUKOZAQFXGC-SVBPBHIXSA-N 498.535 4.829 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)c1 40527354 JVEXSPTYZSFUCT-RUZDIDTESA-N 456.498 4.920 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(Cl)c(C)c1 40870055 VAKXMWQVAKDTLX-FYJGNVAPSA-N 490.943 4.865 50 10 JJGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)C(C)(C)CCCOc2cc(C)ccc2C)cc1 66201427 LPQBVTNVEZDBRS-UHFFFAOYSA-N 453.583 4.688 50 10 JJGE C[C@H]1CCC[C@@](CCl)(NS(=O)(=O)c2cc(Br)ccc2Br)C1 96873296 KDYSWMAAJARNMV-IINYFYTJSA-N 459.631 4.678 50 10 JJGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C1=O 101332431 HBCDQMQQLVLHBY-FYJGNVAPSA-N 487.357 4.914 50 10 JJGE COc1cc(/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 101336293 NCQLOCGYMXQPCY-KGENOOAVSA-N 454.567 4.527 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)NCCC[C@H](C)CBr)cc1Br 228308120 LBAXKAJDYCFAQC-VIFPVBQESA-N 492.071 4.610 50 10 JJGE C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C[C@@H]1Br 230301159 DLBSPDSPBLMWBG-APPZFPTMSA-N 466.022 4.550 50 10 JJGE CCn1c2ccccc2c2cc(NC(=O)CC(C)=NNC(=O)c3ccc(OC)c(OC)c3)ccc21 254733243 SPUBRMLFMHLIAF-UHFFFAOYSA-N 472.545 4.966 50 10 JJGE Cc1ccc(COc2ccc(-c3cc(C(=O)NN=Cc4ccc(N(C)C)cc4)n[nH]3)cc2)cc1 254807898 GNEKVHRQAAGLPE-UHFFFAOYSA-N 453.546 4.794 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CCC[C@H](CBr)CC1 378782781 OLHONVIHJJCIHF-JTQLQIEISA-N 454.000 4.849 50 10 JJGE C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1cc(CBr)sc1[N+](=O)[O-])C2 705961912 ISUMXEQVARIQRK-WOJBJXKFSA-N 450.402 4.900 50 10 JJGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1ccccc1Cl 1083895576 HFCQOBCWYHUAKZ-UHFFFAOYSA-N 476.005 4.948 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 1258552378 VSANGHAYENSFJW-INIZCTEOSA-N 463.710 4.660 50 10 JJGE COc1ccccc1/C(C#N)=C/c1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 1615099286 PFHRUHWXEZLBBA-RELWKKBWSA-N 488.565 4.763 50 10 JJGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772748221 ZKSOYTHNHQHBQM-UHFFFAOYSA-N 480.908 4.801 50 10 JJGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccccc1)CCC2 1772749011 GGPUUZTWRZYRRU-UHFFFAOYSA-N 481.936 4.738 50 10 JJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)c1 1865692261 KPRIKPWITXDPNI-XMMPIXPASA-N 482.515 4.973 50 10 JJGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865705339 SQTDCEZRLHJTQQ-XMMPIXPASA-N 479.540 4.948 50 10 JJGE CCOC(=O)c1ccc(Oc2c(C)oc3cc(OC(=O)C(Cl)Cl)ccc3c2=O)cc1 1871385508 WVKNYSPZTIVKFN-UHFFFAOYSA-N 451.258 4.780 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)cc1OC 1872745298 GOYPBGCPZRZSTE-STZFKDTASA-N 469.475 4.703 50 10 JJGE Cc1cc(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)ccc1F 1873921105 VJRMXQJJKUYRCQ-CYVLTUHYSA-N 478.461 4.645 50 10 JJGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cccc(I)c1 1914660647 CONFWARBGNZQII-CYBMUJFWSA-N 458.137 4.717 50 10 JJGE Brc1cc(Br)c(OCCI)c(Br)c1 1934756313 CIVDHUOOLFKSCF-UHFFFAOYSA-N 484.751 4.788 50 10 JJGE CCc1cc(Br)c([C@H](Br)c2cnn(C)c2I)s1 1942102762 XFKGLMLDAWGISW-SECBINFHSA-N 490.002 4.895 50 10 JJGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CCCl)cc1 1962864682 NYIRJQKNZSUDGW-UHFFFAOYSA-N 467.031 4.574 50 10 JJGE CC1(C)CC[C@H](CBr)N1c1ncc(I)cc1Br 2025410877 VCDLMKAZADVBQH-SECBINFHSA-N 473.978 4.591 50 10 JJGE CC(C)[C@H](Br)[C@H](C)NC(=O)c1cc(I)ccc1Br 2041306241 DISUFSZZHMUOAQ-UFBFGSQYSA-N 488.989 4.592 50 10 JJGE CCOC(=O)C12CC(CI)(C1)O[C@H]2c1cccc(SC(F)(F)F)c1 2049395336 OJBOCKURWZNMEF-GRTSSRMGSA-N 472.266 4.887 50 10 JJGE CC[C@H](C)[C@@H](Br)CNC(=O)c1ccc(Br)cc1I 2086145003 HRROGWNQPSVYPW-KWQFWETISA-N 488.989 4.593 50 10 JJGE O=C(N[C@@H]1CCC[C@@H]1CCBr)c1ccc(Br)cc1Br 2090572635 OWHDUMCZFAIZRS-NOZJJQNGSA-N 454.000 4.895 50 10 JJGE Cc1c(Br)c(C[C@H](CBr)c2ccc(Br)cc2)nn1C 2093836764 ZMIWWJLRDMWQOB-LLVKDONJSA-N 451.000 4.975 50 10 JJGE Cc1csc(CBr)c1S(=O)(=O)N(Cc1ccccc1)[C@@H]1COC(C)(C)C1 2123236008 DNTSFMMFETUJKB-INIZCTEOSA-N 458.443 4.710 50 10 JJGE O=S(=O)(c1cc(Cl)c(Br)s1)N1[C@H]2CCC[C@H](Br)[C@H]1CC2 2154106409 PDKLXPPLVSMDEI-OYNCUSHFSA-N 463.644 4.633 50 10 JJGE CC[C@@H](Br)[C@H]1CCCCN1C(=O)c1ccc(F)cc1I 2170617778 XTJKPRLAPJGGLG-TZMCWYRMSA-N 454.121 4.599 50 10 JJGE Cc1nn(C)c(Br)c1[C@H](Br)c1cc(Br)c2c(c1)CCO2 2185755216 ZTDXXOYKTGOCSL-GFCCVEGCSA-N 464.983 4.673 50 10 JJGE Brc1ccccc1[C@H](CI)OC[C@H]1C[C@@]12CCCOC2 2198375908 CFKIFMBWCMLNAN-UHOFOFEASA-N 451.142 4.759 50 10 JJGE COc1ccc(CC(=O)N(Cc2ccccc2)C[C@H](C)Br)c(Br)c1 2301106783 YWCMWEHSJYAMDU-AWEZNQCLSA-N 455.190 4.812 50 10 JJGE CC(C)(CI)CN1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 2306818473 KSYNSLWIMXVMNO-JKSUJKDBSA-N 450.405 4.559 50 10 JJGE N#CC(=Cc1cccn1-c1ccc([N+](=O)[O-])cc1)c1nc(O)c2cc(Br)ccc2n1 2314489552 SIOUBSAXBNZJLT-UHFFFAOYSA-N 462.263 4.861 50 10 JJGE O=C(N[C@H](CCBr)COCc1ccccc1)c1c(F)cc(Br)cc1F 2320360137 DMJRFNNTXZENGB-CQSZACIVSA-N 477.143 4.828 50 10 JJGE CCN(C[C@](C)(CI)OCC1C[C@@H]2[C@@H](C1)C2(F)F)C(=O)OC(C)(C)C 2320757113 LNRPMAJCNXRGJP-CPUCHLNUSA-N 473.342 4.745 50 10 JJGE CC[C@]1(C)[C@@H](Cl)CCN1C(=O)c1ccc(I)c(Br)c1 2336767059 PVITUZMZEZHDKN-GXTWGEPZSA-N 456.549 4.676 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CC[C@H]2CC[C@@H](Cl)[C@@H]1C2 2355761567 XAUVHZLBCQFMHZ-FZQKWOKYSA-N 468.560 4.676 50 10 JJGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1 14029814 SWWRBDOLTCNBOJ-UHFFFAOYSA-N 471.623 4.630 50 10 JJGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NCCCn1ccnc1 102855537 KGDKHCUPAIYJNL-HKWRFOASSA-N 456.937 4.503 50 10 JJGE COc1cc(OC)c([C@H](Br)c2ccc(I)cc2)c(OC)c1 109849150 DXVPFUQAGRFVPW-MRXNPFEDSA-N 463.109 4.801 50 10 JJGE COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)NC[C@H]2CCC[C@H](CN=C=O)C2)cc1 170287999 AQHSMFBSSAUZOV-GOTSBHOMSA-N 451.567 4.558 50 10 JJGE O=C(NC[C@@H]1CCC[C@H](Br)C1)c1cc(Br)c(Br)s1 227754019 WEJCKFNLECWHRM-SFYZADRCSA-N 460.029 4.957 50 10 JJGE BrCc1ccc(N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1Br 404199876 QRKGSPRNXSFRFM-SFTDATJTSA-N 480.244 4.824 50 10 JJGE CN(CCCCCBr)c1ncc(C(F)(F)F)cc1I 686114330 FNDHBDLFECLMTL-UHFFFAOYSA-N 451.068 4.706 50 10 JJGE O=C(NC1(CCCl)CCCC1)c1ccc(I)c(Br)c1 721606574 WGWJOJDCZIASDN-UHFFFAOYSA-N 456.549 4.725 50 10 JJGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 746180698 MBDNSCJHOLXGRN-UHFFFAOYSA-N 499.372 4.636 50 10 JJGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 916116446 VBBCCMAZTGONTE-UHFFFAOYSA-N 492.307 4.536 50 10 JJGE CCOC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)c1 1084184933 ONRVPTCBQKZSGM-XIEYBQDHSA-N 482.584 4.527 50 10 JJGE Cc1cccc(Cl)c1COc1ccc(C=NNC(=O)c2ccc(N3CCCC3=O)cc2)o1 1084505387 JPRLXIRZMKGMKH-UHFFFAOYSA-N 451.910 4.711 50 10 JJGE COc1ccc2c(c1)C(=NNC(=O)c1cc(-c3ccccc3)nc3ccccc13)C(=O)N2C(C)C 1772720873 WGOMDVGMVXNCEK-UHFFFAOYSA-N 464.525 4.800 50 10 JJGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702207 PHCKOKUMNWZUCJ-LJQANCHMSA-N 471.305 4.753 50 10 JJGE CCOc1cc(C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)cc(OCC)c1OCC 1865759924 YSAKYHOVYFXHHJ-UHFFFAOYSA-N 499.514 4.606 50 10 JJGE BrCCC[C@H]1CCCN1c1ncc(I)cc1Br 2015756157 ARXNMHLUVTUSEO-JTQLQIEISA-N 473.978 4.593 50 10 JJGE Brc1cc(Br)c([C@H](Br)[C@@H]2CCn3ncnc3C2)s1 2046632814 FGEMDAYDIQUSGA-LHLIQPBNSA-N 456.001 4.563 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCC2CC3(C2)CC32CC2)C1 2072212535 HYQPXDMYHQQADI-OAAAQFAESA-N 461.384 4.788 50 10 JJGE Clc1ccc(I)c(CN2C[C@@H]3CCC[C@@]3(CBr)C2)c1 2103168643 MRVNMCUCKOFNHF-SWLSCSKDSA-N 454.577 4.942 50 10 JJGE Brc1cc([C@H](Br)c2cc3c(cc2Br)OCCO3)ns1 2120040252 QCMKCKRESFPCDW-GFCCVEGCSA-N 469.980 4.924 50 10 JJGE Cc1c(Br)sc(C[C@H](Br)CN2C(=O)c3ccccc3C2=O)c1C 2241381039 MVQLVCWHONSYRW-NSHDSACASA-N 457.187 4.730 50 10 JJGE CCN(C[C@@](C)(CI)OCCc1ccccc1F)C(=O)OC(C)(C)C 2263391609 SIQVMDSYRKIVAC-LJQANCHMSA-N 465.347 4.836 50 10 JJGE O=C(NC[C@H]1CCCC[C@@H](Br)C1)c1c(F)cccc1I 2282795516 VJCUCPLGCLCBDN-WDEREUQCSA-N 454.121 4.504 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 2283652993 BIZCDVUFWHIOMR-SDDRHHMPSA-N 468.560 4.580 50 10 JJGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593239 JYSJFUHOHWPNPH-QHCPKHFHSA-N 475.545 4.724 50 10 JJGE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C3C)o2)cc1 2314618743 SRKNVUUFVWTYFH-UHFFFAOYSA-N 476.529 4.531 50 10 JJGE C[C@@H]1[C@H](Cl)CCN(C(=O)c2cc(I)ccc2Br)[C@@H]1C 2344518914 BLWPTUJUVASFQD-IGJMFERPSA-N 456.549 4.532 50 10 JJGE COC[C@@H](C)OC[C@@H](Cl)CCc1ccc(I)c(Br)c1 2349849077 ZPHBHYVNXIGBQV-PWSUYJOCSA-N 461.565 4.645 50 10 JJGE O=S1(=O)C[C@@H]2[C@H]([C@@H](Br)c3c(F)cc(Cl)c(Br)c3Cl)[C@@H]2C1 2360424464 SRLJLACJKUGDJP-YMVRNGRXSA-N 466.981 4.622 50 10 JJGE CC[C@H](C)Oc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 10291619 WCNMPIXHNQKQEC-HNNXBMFYSA-N 471.351 4.620 50 10 JJGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1cccc2ccccc12 14033060 TXMPWGCCTMRCJV-UHFFFAOYSA-N 479.602 4.513 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2)cc1Br 14640693 IDXFTGABVTVRGV-UHFFFAOYSA-N 483.790 4.902 50 10 JJGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OCC(C)C)cc1 14649884 FSGFELWRPPZKGL-UHFFFAOYSA-N 463.372 4.738 50 10 JJGE C/C(=N/NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1cc2ccccc2o1 33459441 UNLCCFPESIASBX-DIBXZPPDSA-N 475.570 4.716 50 10 JJGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)o1 38659098 MDKXDPNNONFHRY-HXUWFJFHSA-N 451.276 4.788 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@H]1c1c(F)cccc1Cl 38680751 HLFSPJFINXECDM-HXUWFJFHSA-N 465.824 4.825 50 10 JJGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1 39858544 VIGUFRRXVPOWRG-HKWRFOASSA-N 450.498 4.958 50 10 JJGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813334 OVBOSBZNGPBNLB-TURZUDJPSA-N 479.920 4.751 50 10 JJGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 40823712 WCYRAGBHXWCVEF-AFUMVMLFSA-N 450.545 4.982 50 10 JJGE O=C(CSc1ccccc1)N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21 59146600 UUVNFGZRCYAISX-PBBVDAKRSA-N 451.551 4.999 50 10 JJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C2=O)cc1 101340294 UFFJHUKBHKKDKP-HZHRSRAPSA-N 456.473 4.929 50 10 JJGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)N(Cc1ccccc1)C(C)C 217185730 HQSKTSKJDDQMLI-AQTBWJFISA-N 459.331 4.856 50 10 JJGE O=C(CCCCCCCC(=O)NN=Cc1c[nH]c2ccccc12)NN=Cc1c[nH]c2ccccc12 254698536 MXQPCAXLOKBGOJ-UHFFFAOYSA-N 470.577 4.980 50 10 JJGE COc1ccc(C(=O)NN=Cc2ccc(OC)c(COc3ccc(C(=O)OCC(C)C)cc3)c2)cc1 254844628 CGQIAUOGJBZNIR-UHFFFAOYSA-N 490.556 4.860 50 10 JJGE COc1cc(C=NNC(=O)COc2cccc3ccccc23)ccc1OC(=O)c1ccc(C)cc1 254846048 IRUJDXDEUZIWTG-UHFFFAOYSA-N 468.509 4.905 50 10 JJGE O=C1[C@@H]2C[C@H]3[C@H](C[C@H]2[C@H]2CC[C@@H](Br)C[C@@H]12)C(=O)[C@@H]1C[C@H](Br)CC[C@@H]13 256990184 YSGZBGHGHPNQLU-PWTXNQRMSA-N 458.234 4.770 50 10 JJGE O=S(=O)(NC[C@H](Br)C1CCC1)c1c(Cl)cc(Br)cc1Cl 315541678 LQZWHCUEFQRUFE-VIFPVBQESA-N 466.022 4.598 50 10 JJGE CC(=O)O[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H](CO[Si](C)(C)C(C)(C)C)NC(=O)C(Cl)Cl 504550398 CFLYOAVJFORAKJ-HOTGVXAUSA-N 479.433 4.509 50 10 JJGE Oc1nc2cc([C@H](Br)c3ncsc3Br)c(Br)cc2[nH]1 705140706 UVDHOJFBOPVXEY-QMMMGPOBSA-N 467.968 4.734 50 10 JJGE BrCC(CBr)(CCO[C@H]1CCOC1)c1cccc(Br)c1 724983404 BBUOIFZKBVYCFB-AWEZNQCLSA-N 471.027 4.672 50 10 JJGE COc1ccc(C(C)=NNC(=O)COc2ccc3ccccc3c2Br)c(OC)c1 725389186 NOSDPOZHGRLBOJ-UHFFFAOYSA-N 457.324 4.539 50 10 JJGE O=C(NN=Cc1ccc(Cl)cc1Cl)[C@H]1C[C@H]1C(=O)NN=Cc1ccc(Cl)cc1Cl 1083893718 YZFSNXMNEFOEED-GASCZTMLSA-N 472.159 4.537 50 10 JJGE CC(=NNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccccc1 1083927933 XZGAEORZFUHVKQ-UHFFFAOYSA-N 476.385 4.729 50 10 JJGE COc1cc(C=NNC(=O)c2cccc(Br)c2)ccc1OCc1ccc(F)cc1 1083992527 IVMDFQWPCHUHQR-UHFFFAOYSA-N 457.299 4.940 50 10 JJGE C=C[C@@H](COC)NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1C 1435993183 XFXPHIOBGKGXPO-NDCSFFLDSA-N 451.876 4.991 50 10 JJGE O=C(CCCCl)Nc1nc2c(I)cc(Br)cc2s1 1615891466 UGFPKNARQFTCOP-UHFFFAOYSA-N 459.534 4.621 50 10 JJGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745846 JXFMHJWHXIDACU-UHFFFAOYSA-N 483.484 4.767 50 10 JJGE CC[C@@H](Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)C(=O)OC1CCCCC1 1858689511 NJXCVYFHICTCSF-QGZVFWFLSA-N 461.446 4.773 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865684190 MYGATSPOGRRJNB-HSZRJFAPSA-N 468.488 4.670 50 10 JJGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)c1O 1865695799 HKKZQYLGWJLKIZ-SFHVURJKSA-N 487.741 4.529 50 10 JJGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697631 YLYIKHRLKDVGEW-QHCPKHFHSA-N 462.525 4.647 50 10 JJGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OC 1865711104 PUWIGZKBYZVMMA-DEOSSOPVSA-N 480.524 4.783 50 10 JJGE CCc1ccc(-c2ccc(C(=O)NNC(=O)CCC(=O)c3ccc(Br)cc3)c(C)n2)cc1 1865758894 WYPWYMIXVRTUDV-UHFFFAOYSA-N 494.389 4.806 50 10 JJGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)COc1ccccc1Cl 1865759353 WCFZETNWIRERPY-UHFFFAOYSA-N 464.736 4.857 50 10 JJGE CCCC[C@@H](NC(=O)c1c(C)cc(C)n(-c2ccccc2)c1=O)C(=O)Nc1ccc(SC#N)cc1 1867210142 HPMPGKWPGPSPOI-HSZRJFAPSA-N 488.613 4.955 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cc(OC)c(OCc2ccccc2)c(OC)c1 1873794315 CVYGBWCQOMKQBT-YYZWRIGOSA-N 499.608 4.672 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@@H]1[C@H](CBr)NC(=O)OC(C)(C)C 1885098473 YZLKXTMTJDCTMD-JYJNAYRXSA-N 461.441 4.996 50 10 JJGE CC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br 1984650414 XFBIGMMIULFGSM-UHFFFAOYSA-N 465.207 4.926 50 10 JJGE CC1(C)[C@@H](CBr)CCN1C(=O)c1ccc(I)c(Cl)c1 2095212387 JKDHNIIPLMJKFQ-SNVBAGLBSA-N 456.549 4.580 50 10 JJGE O=C(N[C@H]1CC[C@@H](CBr)CC1)c1cc(Br)ccc1Br 2118505039 FRBHEYIQTWCABC-JGZJWPJOSA-N 454.000 4.895 50 10 JJGE BrCc1ccc(Br)cc1N1CC[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2129054763 QEALTJTUCXZGCY-RTWAWAEBSA-N 480.244 4.824 50 10 JJGE C[C@@]1(CCl)CCCN(C(=O)c2ccc(Br)cc2I)C1 2142287857 GVVVMWTWHHLUJG-AWEZNQCLSA-N 456.549 4.535 50 10 JJGE C[C@H](Cl)C12CCC(CC1)N2C(=O)c1ccc(I)c(Br)c1 2153386575 PRJQLIAQRVNDPV-IEBVAXJPSA-N 468.560 4.818 50 10 JJGE O=C(NC[C@@H]1CCCC[C@H](Br)C1)c1ccc(F)cc1I 2163746725 VHQKUPSNSGHXDY-MNOVXSKESA-N 454.121 4.504 50 10 JJGE O=C(NCC1CC2(CC(Cl)C2)C1)c1cc(Br)ccc1I 2164506300 DYDDIQIGCUZUKY-UHFFFAOYSA-N 468.560 4.581 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@@](=O)(=NCc1ccc(CBr)cc1)C2 2182855794 QZDFZWDNMRQLGW-HRFSGMKKSA-N 457.434 4.723 50 10 JJGE C[C@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)c(Cl)c1 2197757580 UMMSHOXOOMWUTO-HXUWFJFHSA-N 472.832 4.995 50 10 JJGE COc1cc(Br)c([C@H](Br)c2cn(C)nc2Br)cc1C 2227719840 AGZFDGUMDSHGMD-LBPRGKRZSA-N 452.972 4.746 50 10 JJGE COc1ccc([C@@H](Br)C2C[C@H]3COC[C@H](C2)C3)cc1I 2285012228 RJCCALLXASCREO-XMZIXOGTSA-N 451.142 4.799 50 10 JJGE CCc1ncc2nc(CCCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2n1 2286684123 YVFLPEAYDPCWKI-UHFFFAOYSA-N 476.024 4.641 50 10 JJGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccccc2C)c1 2314532862 NMXSTEBYFMXUCN-UHFFFAOYSA-N 450.498 4.958 50 10 JJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2cc(Br)c(Br)s2)[C@@H]1C 2321284053 BOEXZUUSYQWRNK-RNJXMRFFSA-N 460.029 4.907 50 10 JJGE N#CC(=Cc1ccc(Br)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Br 2329662871 FYXNGCAMHLCKCX-UHFFFAOYSA-N 451.074 4.665 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)CCN3C(=O)c4ccccc4C3=O)n2)cc1Cl 2331398097 GNEQHDRBCRJADZ-UHFFFAOYSA-N 465.918 4.951 50 10 JJGE CC1(C)[C@@H](NC(=O)c2ccc(Cl)cc2I)CC[C@H]1Br 2340060550 DJWICRBSAFDEFA-NEPJUHHUSA-N 456.549 4.627 50 10 JJGE CN(CC[C@@H](Br)c1cccs1)C(=O)c1ccccc1I 2365983779 CLLNHYLMUMOTJQ-GFCCVEGCSA-N 464.166 4.951 50 10 JJGE C[C@@H]1C[C@H](C(F)(F)F)N(C[C@]2(CBr)CC2(F)F)CCN1C(=O)OC(C)(C)C 2379988215 VREPWJOMBKATKE-LALPHHSUSA-N 465.301 4.669 50 10 JJGE COc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C/c3ccc(OC(F)F)cc3)cc2)cc1 3176006 HOHLXNDJIUBFAG-SAPNQHFASA-N 499.495 4.643 50 10 JJGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)n1 40812945 WDUZKUAKPBGMMW-WPWMEQJKSA-N 481.350 4.777 50 10 JJGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OC(C)C)c(OC)c2)c(OC)c1 40950657 ZWHCXLPEQWUIJT-WUPIVPHJSA-N 478.545 4.543 50 10 JJGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1ccccc1C#N 58892086 DHSCATJUAZDBEW-LLLIGWKVSA-N 483.568 4.838 50 10 JJGE CC[C@H](CCBr)CNS(=O)(=O)c1cc(Br)c(C)cc1Br 137091380 SCVUUKZGRGZONY-SNVBAGLBSA-N 492.071 4.610 50 10 JJGE C[C@@H](Cl)C1CCN(C(=O)c2cc(I)ccc2Br)CC1 235150683 CIKWNUXSVKDALK-SECBINFHSA-N 456.549 4.533 50 10 JJGE O=C1Cc2cc([C@@H](Cl)c3cc(I)ccc3Br)ccc2N1 236047811 XWPCMZAJFMRVOF-OAHLLOKOSA-N 462.512 4.877 50 10 JJGE COc1cc2c(cc1NC(=O)CC(C)=NNC(=O)c1ccc([N+](=O)[O-])cc1)oc1ccccc12 254573507 QSWRIGNSKOUZQQ-UHFFFAOYSA-N 460.446 4.637 50 10 JJGE O=C1OC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]4Sc5[nH]c(=S)sc5[C@H](c5ccc(Br)cc5)[C@H]43)[C@H]12 256027468 XHXQPGFJPVFZPJ-SGGWTVLCSA-N 480.430 4.756 50 10 JJGE CN(C[C@H]1CCC[C@@H]1Br)c1ncc(C(F)(F)F)cc1I 686116451 RASGRFGYEAKDGZ-SCZZXKLOSA-N 463.079 4.705 50 10 JJGE O=C(NCc1ccco1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238243 QZUMFHNNQGLNSF-SFHVURJKSA-N 456.873 4.989 50 10 JJGE COC(=O)Nc1cc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)ccc1F 727334896 CPHYOAIVBHCQNX-LFIBNONCSA-N 492.898 4.980 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3ccc(C(=O)OC)c(Cl)c3)o2)cc1 1084283351 DZVJNWICPIBXMK-QFIPXVFZSA-N 484.936 4.749 50 10 JJGE CCCCOc1ccc(C=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 1084452204 OINWGPZSRXJCAV-UHFFFAOYSA-N 497.592 4.659 50 10 JJGE CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)CC1 1521063580 IFJKBBNCXCMHCO-HMUDIZEXSA-N 452.643 4.698 50 10 JJGE CCN(CC)c1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)c(O)c1 1614706157 USNKWRPKYPOUCZ-RHSMWYFYSA-N 474.383 4.624 50 10 JJGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)cc1OC 1615099339 GXDHTSPFLXHJOD-LTGZKZEYSA-N 496.519 4.750 50 10 JJGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865693317 USWQQSLTYXCSJB-NRFANRHFSA-N 468.916 4.522 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(F)cc1)C(C#N)=C(N)O2 1865707954 KHBNJMGBJIEVFH-IBGZPJMESA-N 453.315 4.945 50 10 JJGE CC(C)[C@@H]1C[C@H]([C@@H](CBr)NC(=O)OC(C)(C)C)CN1C(=O)OCc1ccccc1 1892831325 CIYFTWSIPGNQDN-OTWHNJEPSA-N 469.420 4.958 50 10 JJGE C[C@@H]([C@@H](Br)c1ccc(OCc2ccccc2)cc1Br)S(C)(=O)=O 1899858707 HOYFRRRGEBDWBY-YVEFUNNKSA-N 462.203 4.897 50 10 JJGE Brc1cnccc1C[C@@H](Br)c1cc(I)sn1 1983286339 OVDHIGYNEJLEKP-SSDOTTSWSA-N 473.959 4.584 50 10 JJGE CO[C@@]1(CBr)CCCN(Cc2ccc(Br)cc2Br)C1 2092268626 ZEYKMWILHNTBOS-CQSZACIVSA-N 456.016 4.588 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@H](Br)[C@H]1C1CC1 2130611544 LZVYLJGOWMHYRM-WCQYABFASA-N 451.984 4.600 50 10 JJGE CC1(C)[C@@H](NC(=O)c2ccc(Br)cc2I)CC[C@H]1Cl 2142280464 DSCMVSXVCKFMFB-NEPJUHHUSA-N 456.549 4.580 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CC[C@@H]2C[C@H](Cl)CC[C@H]21 2143974253 JSFLDVBIFBFTRS-GPCCPHFNSA-N 468.560 4.676 50 10 JJGE O=S(=O)(N1CCC(CCBr)CC1)N(Cc1ccccc1)CC1CCCCC1 2179952993 UIXDTLPZUAZILX-UHFFFAOYSA-N 457.478 4.811 50 10 JJGE COC[C@]12C[C@]([C@H](Br)c3cc(Br)c(Br)cc3F)(CO1)C2 2233977506 VNXVPHRURFNZMH-MGPQQGTHSA-N 472.974 4.982 50 10 JJGE O=C(NCc1ccc(CBr)cc1)c1ccc(Cl)c(I)c1 2283651499 HYGYNDDJWSGIQQ-UHFFFAOYSA-N 464.528 4.770 50 10 JJGE C[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@@H]1CBr 2306222630 WUYIRNCJNTVDDW-KOLCDFICSA-N 472.990 4.517 50 10 JJGE COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4ccc(F)cc4)o3)C(C)=C(C#N)C2=O)cc1OC 2314617416 XXODPYOSOSPCMH-UHFFFAOYSA-N 486.499 4.938 50 10 JJGE CO[C@@H]1CC([C@H](Br)c2sc(Cl)cc2I)C[C@H]1OC 2316607834 WEKIBFMJWIVQBA-KKZNHRDASA-N 465.578 4.882 50 10 JJGE Brc1cc(CN2C[C@@H]3C[C@H](C[C@H]3Br)C2)ccc1I 2325221884 PJVCXYNCFFGNSV-GRYCIOLGSA-N 485.001 4.659 50 10 JJGE CC(C)(CI)CN1C[C@H](CCNC(=O)OC(C)(C)C)c2ccccc21 2326672935 OUFKOVKSUSMQCJ-HNNXBMFYSA-N 458.384 4.966 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1C[C@H]2CC[C@H]1C[C@]2(C)NC(=O)OC(C)(C)C 2327662000 BNWDXWCQKRGEPQ-FXKZBUDASA-N 489.748 4.954 50 10 JJGE CCC[C@H](Cl)c1cn(Cc2ccc(I)c(Br)c2)nn1 2349848408 SGXXUFOWBJRWID-NSHDSACASA-N 454.537 4.774 50 10 JJGE Cc1sc2[nH]c(SCC(=O)N/N=C/C=C/c3ccccc3)nc(=O)c2c1-c1ccccc1 19646020 MWESSADSTNFTTF-XCFSAEAASA-N 460.584 4.868 50 10 JJGE Cc1ccc2c(c1)/C(=N/NC(=O)CCCCCNC(=O)c1ccccc1Cl)C(=O)N2CCC(C)C 38180269 RWONQAKUBHAARN-GDWJVWIDSA-N 497.039 4.852 50 10 JJGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OC)cc1 38650406 KBBCWRZVGBJZDQ-VWLOTQADSA-N 456.498 4.921 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@H]1c1cccc(Br)c1 38651463 YFKBZDUZEIXCSD-HSZRJFAPSA-N 477.314 4.652 50 10 JJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)c1 38659819 VUFJRJIGIUVGSC-SANMLTNESA-N 486.524 4.523 50 10 JJGE O=C(NNc1ncnc(Nc2cccc3ncccc23)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40659358 VQDLICOXKCVDPI-UHFFFAOYSA-N 491.511 4.952 50 10 JJGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Oc5cccnc5)c(C)c43)coc2c1C 40826767 XMFVXLIVACYHBC-XHLNEMQHSA-N 471.513 4.965 50 10 JJGE O=C(COc1ccc(Cl)cc1Cl)N/N=C1/C(=O)N(Cc2ccccc2F)c2ccccc21 59147058 HTQXUKLUEJYKCG-XAYXJRQQSA-N 472.303 4.579 50 10 JJGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C(\C)CC(C)C 59915686 CQJFCYCJCBHZGI-NLRVBDNBSA-N 450.612 4.860 50 10 JJGE COc1cccc(Cn2cc(/C=C(/C#N)C(=O)NCc3ccc4c(c3)OCO4)c3ccccc32)c1 96438807 UHICMRDZULFHJT-BKUYFWCQSA-N 465.509 4.650 50 10 JJGE CCCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(CCCOCC)C(=O)CCl)cc1OC 97914980 XLFULRVAHOEJNI-VWLOTQADSA-N 497.076 4.858 50 10 JJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3cccc(Cl)c3Cl)C2=O)cc1 101233078 MJTPLNFGNYWLKK-QGOAFFKASA-N 456.329 4.749 50 10 JJGE CCc1ccc([C@H](C)NC(=O)/C(C#N)=C\Nc2ccc(I)cc2C)cc1 217195566 RGGVWLWSXRJECX-LUJRCDHRSA-N 459.331 4.859 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)NCCC[C@@H](C)CBr)cc1Br 228308109 LBAXKAJDYCFAQC-SECBINFHSA-N 492.071 4.610 50 10 JJGE O=C(NC[C@H]1CCCC[C@@H]1CBr)c1ccc(I)c(Cl)c1 232349478 BWVQICPAKPHBPF-VXGBXAGGSA-N 470.576 4.876 50 10 JJGE Cc1ccccc1-c1cc(C(=O)NN=Cc2cc3c(cc2[N+](=O)[O-])OCO3)c2ccccc2n1 252615310 JRCNLZCPOURBKU-UHFFFAOYSA-N 454.442 4.611 50 10 JJGE Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C=NNC(=O)c1ccc([N+](=O)[O-])cc1 254515958 DFXVZDUSOQREBS-UHFFFAOYSA-N 459.437 4.784 50 10 JJGE Cc1cccc(C(=O)N2CCCC[C@@H]2C[C@H](C)Br)c1I 312410427 RNQFQWNXTNPTGQ-QWHCGFSZSA-N 450.158 4.768 50 10 JJGE ClC/C=C/COc1c(I)cc(Cl)cc1I 393757464 INLZPHDFEXPZSE-OWOJBTEDSA-N 468.887 4.723 50 10 JJGE CCn1c(C)nnc1COc1c(Br)cc(CBr)cc1Br 697722553 GTTXXTKYQLALDV-UHFFFAOYSA-N 467.987 4.605 50 10 JJGE COc1cc(C=NNC(=O)c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 1084113294 YSCORBLFFRPGPN-UHFFFAOYSA-N 457.299 4.940 50 10 JJGE Cc1cccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1 1084173789 MWLLCGJMNRGWQZ-UHFFFAOYSA-N 481.212 4.579 50 10 JJGE O=C(NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccccc1-n1cccc1 1084199397 RAQLOMIYWVHREM-UHFFFAOYSA-N 471.429 4.850 50 10 JJGE O=[N+]([O-])c1cc(Br)ccc1[C@H]1CN(Cc2ccccc2)C[C@H]1CBr 1614696100 WDSKPPJYNMHERZ-PBHICJAKSA-N 454.162 4.968 50 10 JJGE CC(=O)c1ccc(Nc2ccccc2C(=O)NNC(=O)COc2cc(C)ccc2C(C)C)cc1 1618731361 BNCAQZZOESXNAF-UHFFFAOYSA-N 459.546 4.905 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)c1O 1865683668 HVJLDQDLIBPDEW-JOCHJYFZSA-N 450.498 4.531 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1cc(Cl)ccc1O 1865689981 YGJIIIFMCQPMAW-MRXNPFEDSA-N 464.806 4.666 50 10 JJGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)cc1OCC 1865690787 BBPGTAGYSKCGAP-QGZVFWFLSA-N 450.461 4.625 50 10 JJGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1F 1865692232 DGDGZLVXMLJDIH-GOSISDBHSA-N 488.441 4.715 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc1 1865694818 CLVCMMNFTCHZTH-HSZRJFAPSA-N 465.513 4.560 50 10 JJGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706189 PTWTZGCNDJPXTA-LJQANCHMSA-N 470.316 4.927 50 10 JJGE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865715060 UPWCJQQJGMDVKH-IBGZPJMESA-N 455.743 4.874 50 10 JJGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(I)cc1 1914660874 FWIWHEIPZBLTCB-ZDUSSCGKSA-N 458.137 4.717 50 10 JJGE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1NCCSSCCNC(=O)OC(C)(C)C 1991591528 YSMDOBMHEYDDHK-SJORKVTESA-N 463.710 4.518 50 10 JJGE Cc1nn(CCC#N)c2c1[P@@](=O)(c1ccccc1)C(=C1N(C)c3ccccc3C1(C)C)C=N2 2042453310 BOYYVOYJWHCCAD-MGBGTMOVSA-N 455.502 4.774 50 10 JJGE C=CC[C@](C)(CCl)CNC(=O)c1ccc(I)c(Br)c1 2137198321 FIHGKSRDSZCRNT-CQSZACIVSA-N 456.549 4.605 50 10 JJGE CCOCCOCCC(CBr)(CBr)c1ccc(Br)cc1 2143825194 AJLSPTCESGPUDC-UHFFFAOYSA-N 473.043 4.920 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC2(CC[C@@H]1CBr)CC2 2154165216 ALVKTMYBLHBOTQ-LLVKDONJSA-N 466.011 4.991 50 10 JJGE O=C(c1csc(I)c1)N1CCC[C@]2(CBr)CCCC[C@H]12 2165292306 AOFBNOFJHDCNDO-WFASDCNBSA-N 468.198 4.913 50 10 JJGE CN(C(=O)c1cc(I)ccc1F)C1(CBr)CCCCC1 2170161835 BQHXIQMASOANIW-UHFFFAOYSA-N 454.121 4.600 50 10 JJGE Brc1ccc([C@@H](CI)OCCN2CCCCCC2)cc1 2175841962 KNSNTUUYUPGTTF-MRXNPFEDSA-N 452.174 4.818 50 10 JJGE Cc1csc(CN(C)S(=O)(=O)c2csc(CBr)c2)c1Br 2179819249 JXSVHDZPSZCFAS-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE CN(C(=O)c1ccc(Br)cc1I)[C@@H](CCl)CC1CC1 2226167390 KILWRMPTHZBCBD-LLVKDONJSA-N 456.549 4.533 50 10 JJGE Cc1ccc(C(=O)NCC[C@H]2CCCC[C@@H]2Br)cc1I 2232836182 DIIMJNDFFRSSLR-OCCSQVGLSA-N 450.158 4.673 50 10 JJGE CS(=O)(=O)C1CC([C@@H](Br)c2scc(C(F)(F)F)c2Br)C1 2285283154 LKSZKKJLXDDWLT-NPWHJSNTSA-N 456.143 4.789 50 10 JJGE C[C@H]1CC[C@](CBr)(NC(=O)Cc2cc(Br)cc(Br)c2)C1 2295312225 VKNQQFXNDXRXOB-BONVTDFDSA-N 468.027 4.824 50 10 JJGE CC(C)(C)OC(=O)NCCCCCC(=O)NN=Cc1ccc(OCc2ccc(F)cc2)cc1 2328835232 MXFDVZNIHSQAGM-UHFFFAOYSA-N 457.546 4.940 50 10 JJGE Clc1ccc(CN2C[C@@H]3CCC[C@@H](Br)[C@H]3C2)cc1I 2337226178 UWHZMIPYNRXTNN-RWMBFGLXSA-N 454.577 4.940 50 10 JJGE C[C@H]1C[C@@H](Br)CCN(C(=O)c2ccc(Cl)cc2I)C1 2340065933 NRCDONANYFGNGH-UWVGGRQHSA-N 456.549 4.580 50 10 JJGE CC(C)(C)OC(=O)Nc1cccc([S@](C)(=O)=NC[C@]2(CBr)CC2(F)F)c1 2351885494 KPRAMSBAJBWSRP-DXPJPUQTSA-N 453.349 4.911 50 10 JJGE CN(Cc1c(Br)c(Br)nn1C)c1ccc(F)cc1CBr 2364334806 ZRCIGDNISDXKFL-UHFFFAOYSA-N 469.978 4.616 50 10 JJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc(-c4ccccc4)cc3)cc2)c1 13981585 APBHQYOYCVXSAM-UHFFFAOYSA-N 479.536 4.754 50 10 JJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1 14668256 RCXCNJOWTFLVKJ-INIZCTEOSA-N 491.426 4.865 50 10 JJGE COc1ccc(/C(C)=N\NC(=O)CCCSc2nc3ccc([N+](=O)[O-])cc3s2)cc1OC 58989772 IELPHELGGOAPNR-QRVIBDJDSA-N 474.564 4.634 50 10 JJGE O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nn(-c2ccccc2)c2c1CCCCC2 107940457 ZYPOQJLTKZCIRS-UHFFFAOYSA-N 459.428 4.825 50 10 JJGE C[C@H](CCCBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 136683932 ZFJSMEPLEOVFMM-SSDOTTSWSA-N 454.011 4.598 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N(C)CCCCCBr)cc1Br 227145202 DQXOMFXWYXRJKW-UHFFFAOYSA-N 492.071 4.706 50 10 JJGE Cc1cc(C=NNC(=O)c2ncccc2[N+](=O)[O-])c(C)n1-c1ccc(OCc2ccccc2)cc1 254625596 WRWBNISIXYQRRW-UHFFFAOYSA-N 469.501 4.740 50 10 JJGE CN(C)c1cccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1 382701695 CWAJLRCIBNGFLI-UYAOXDASSA-N 464.347 4.540 50 10 JJGE O=C(N[C@@H]1CCCC[C@H]1CCl)c1ccc(I)c(Br)c1 721620828 PAMSXYSRIDLQES-GXFFZTMASA-N 456.549 4.581 50 10 JJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2F)c2cc(Cl)cc(Cl)c2)cc1 1084005464 CSCRXMXNMFEUCR-UHFFFAOYSA-N 494.375 4.787 50 10 JJGE CC(=NNC(=O)CSCc1cccc(Cl)c1)c1ccc(I)cc1 1084633710 ZXKIXTULLKNTOI-UHFFFAOYSA-N 458.752 4.718 50 10 JJGE COc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)cc1 1084653102 DCONXYFCZHGTIY-UHFFFAOYSA-N 482.540 4.984 50 10 JJGE C#CCOc1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1 1160364017 CHDQPUJAZUHJQO-UHFFFAOYSA-N 455.901 4.642 50 10 JJGE C=Cc1ccc(C(=O)NNC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)cc1 1608486886 LPCXXGPXEQGBCJ-UHFFFAOYSA-N 453.498 4.637 50 10 JJGE C=CCN1C(=O)/C(=C\c2ccco2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718727 NBTZLIWKQLHNOP-CLVJRVCMSA-N 486.764 4.808 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)cc1C 1772744843 LAQMCXFUXSUNIN-UHFFFAOYSA-N 460.490 4.836 50 10 JJGE Cc1c(C(=O)N2CCCCC2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749935 SDULNAWOIHISAL-UHFFFAOYSA-N 478.376 4.757 50 10 JJGE COc1cc(C(=O)NNC(=O)c2ccc(-c3ccc4ccccc4c3)s2)cc(OC)c1OC 1860391556 NNMDQMMGOCYYMG-UHFFFAOYSA-N 462.527 4.669 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(OCC)c1)C(C#N)=C(N)O2 1865681038 CWKMESROHKJORQ-JOCHJYFZSA-N 482.943 4.999 50 10 JJGE CC(=O)Nc1c(Br)cc(C(=O)Nc2ccc(SC#N)cc2)cc1Br 1866063631 FTJRUUIWEAOQBI-UHFFFAOYSA-N 469.158 4.995 50 10 JJGE CC[C@H](NC(=O)Cc1ccc2nc(O)c(C(C)C)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1867068138 RAJJFCVUHLNNFD-NRFANRHFSA-N 462.575 4.713 50 10 JJGE COc1cc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)cc(OC)c1OC 1872749734 FWRUMYRTIPNAGK-ZZEZOPTASA-N 479.558 4.675 50 10 JJGE CC(C)(C)OC(=O)N[C@@H](CBr)[C@@H]1CCN(C(=O)OC(C)(C)C)CCC1(F)F 1882089432 ZLPUPERQGXARIA-STQMWFEESA-N 457.356 4.557 50 10 JJGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 1955612256 DNNYGVHWEHDZKW-MEMLXQNLSA-N 466.441 4.740 50 10 JJGE O=C(N[C@@H]1CCC[C@@H](CBr)C1)c1csc(Br)c1Br 2032953059 BRKALASDCDWFCQ-HTQZYQBOSA-N 460.029 4.957 50 10 JJGE Fc1cc(Br)cc(N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)c1CBr 2114266945 ZZJNVCIUZKTIES-VQTJNVASSA-N 484.207 4.573 50 10 JJGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CO[C@H]3COC[C@@H]23)c1Br 2138870530 JLXSWXZUVOBMPB-QPPBUOOMSA-N 454.984 4.617 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1C[C@H]2[C@H](Br)CCC[C@H]2C1 2150957462 DWPPABQTXRHGHA-ZWKOPEQDSA-N 468.560 4.580 50 10 JJGE C[C@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)c(Cl)c1 2179781561 XMBLYVUTTOLZTL-INIZCTEOSA-N 471.848 4.520 50 10 JJGE Cc1oc(C)c(S(=O)(=O)N(Cc2ccccc2)[C@H]2COC(C)(C)C2)c1CBr 2179790790 IXPAIIKKNCKXAJ-QGZVFWFLSA-N 456.402 4.550 50 10 JJGE Cc1ccc(C(=O)NC[C@H]2CCCC[C@@H]2CBr)cc1I 2232826133 IUGAVHXYSBNIKY-ZIAGYGMSSA-N 450.158 4.531 50 10 JJGE O=S1(=O)CCCC[C@@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288348722 IICTVEQKGQCBPM-PSASIEDQSA-N 496.993 4.893 50 10 JJGE C=CCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCCCC)cc2)c(OC)c1 2293198074 GJGHGRXJKVYSSN-UHFFFAOYSA-N 460.530 4.702 50 10 JJGE BrC[C@H]1Cc2ccccc2CN1c1ncc(Br)cc1Br 2296337920 AYYKXDKBWZVNBI-CYBMUJFWSA-N 460.995 4.933 50 10 JJGE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3[nH]2)c1 2296848654 PSDPERIMKWHVLJ-UHFFFAOYSA-N 494.580 4.730 50 10 JJGE CN(C(=O)c1ccc(Cl)cc1I)C1(CBr)CCCC1 2340050930 WWLHEGBNXJKJBQ-UHFFFAOYSA-N 456.549 4.724 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CCCC[C@H]1CCBr 2340054300 LEUACEFTKIUHHZ-NSHDSACASA-N 456.549 4.724 50 10 JJGE ClC[C@]1(NCc2ccc(I)c(Br)c2)C[C@H]2CC[C@H]1C2 2349827684 JFBJHOKEFGUCQO-ITDIGPHOSA-N 454.577 4.941 50 10 JJGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cc(C)cc(C)c3)ccc21 38650534 BDKMKFIZJQLJKQ-MHZLTWQESA-N 470.525 4.905 50 10 JJGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)c1 40530210 VFJLNWOFXRKXCH-VWLOTQADSA-N 476.916 4.941 50 10 JJGE Cc1cc(C)cc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])c1 40583067 PKPJKDUAMGYZJR-UHFFFAOYSA-N 477.308 4.574 50 10 JJGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 40826481 BCGGTEHTVGHSIL-YZSQISJMSA-N 482.334 4.779 50 10 JJGE CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1OC 59474964 GHKOYGJXGRZUHZ-OQLLNIDSSA-N 462.287 4.553 50 10 JJGE C[C@@H]1CCC[C@](CBr)(NC(=O)c2ccc(F)cc2I)C1 235338444 JDPHELUPIXSUSW-BMIGLBTASA-N 454.121 4.504 50 10 JJGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCC[C@@H]1CCBr 312979570 QNOSQSSSDADDBE-SECBINFHSA-N 466.022 4.694 50 10 JJGE CCOc1ccc([C@H](Br)c2cnn(C)c2I)c(Br)c1 379209080 LZCZRYYAZOKYFL-LBPRGKRZSA-N 499.972 4.670 50 10 JJGE COc1ccc(F)cc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382694376 WXUQNDRBAMXXAT-YJBOKZPZSA-N 469.294 4.622 50 10 JJGE Oc1ccc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)cc1Br 383435247 WXIOOPRSMNPICC-HZPDHXFCSA-N 472.164 4.805 50 10 JJGE N#CCCCOc1cccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1 918633919 GXLWPFTXSFKCDY-LTGZKZEYSA-N 450.502 4.692 50 10 JJGE Cc1nn(-c2ccccc2)c(O)c1C=NNC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 1083920258 AKSLVJBOMVYLSL-UHFFFAOYSA-N 468.557 4.741 50 10 JJGE CCOc1cc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)ccc1O 1614703426 GIBBVIAIQXRSLK-ZWKOTPCHSA-N 481.330 4.578 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)c1OC 1865700970 IPSYRSLPUXPLLY-HSZRJFAPSA-N 482.515 4.973 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865712232 SQHMCMIQBQQAIA-DEOSSOPVSA-N 482.515 4.973 50 10 JJGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)COc1ccccc1Cl 1865759465 BNJMIZZUBQRUGG-UHFFFAOYSA-N 464.736 4.857 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccccc2F)cc1 1873794368 FXEWBDZDZIOZDK-HUQXMHCUSA-N 457.546 4.794 50 10 JJGE C[C@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1cc(CCl)oc1Br 1892694458 DJOCPLIGIDCOBM-GOSISDBHSA-N 462.793 4.541 50 10 JJGE COc1cc(C)c([C@@H](Br)c2cn(C)c(Br)n2)cc1Br 1901694899 ANXLMABQOHYOMX-GFCCVEGCSA-N 452.972 4.746 50 10 JJGE COc1ccccc1C=C(C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1)c1ccccc1 2040424816 IFLYPJKSSLCXKK-UHFFFAOYSA-N 451.482 4.621 50 10 JJGE C=CCC[C@H](CBr)NC(=O)c1cc(I)ccc1Br 2075330663 QTGZMKPOWDQYKA-SNVBAGLBSA-N 486.973 4.513 50 10 JJGE O=[N+]([O-])c1sc(CBr)cc1N1CC[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2148937868 AYABLHIMIJFCFF-IAGOWNOFSA-N 450.402 4.900 50 10 JJGE CC1(C)C[C@@H](CBr)N(c2ncc(C(F)(F)F)cc2I)C1 2151114094 SPYBZCHJACQRAR-VIFPVBQESA-N 463.079 4.705 50 10 JJGE CC(C)(C)OC(=O)NCC[S@](=O)(=NC[C@@H](CBr)CC1CC1)c1ccccc1 2169173801 VPZFIDUWONUSHT-XGCWNURASA-N 459.450 4.849 50 10 JJGE CC1(C)CCC[C@@]1(CBr)NC(=O)c1cc(I)ccc1F 2169663102 HEMFGXCOIADAFO-HNNXBMFYSA-N 454.121 4.504 50 10 JJGE Cc1csc(CBr)c1S(=O)(=O)N(C)C[C@@H]1CCCCN1Cc1ccccc1 2179817785 ZOVYBHDTRPANFV-SFHVURJKSA-N 471.486 4.627 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@H](CBr)C12CCC2 2190353037 IZZCPOSLCPTFEE-SNVBAGLBSA-N 466.011 4.991 50 10 JJGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)Cc1ccc(Br)cc1 2210632720 HVWORAZGOKWLNF-CQSZACIVSA-N 461.219 4.565 50 10 JJGE Cc1cc(Br)c([C@@H](Br)[C@H](C)S(C)(=O)=O)c(C)c1Br 2220149971 OCPHVMOARSHVOV-UFBFGSQYSA-N 463.029 4.698 50 10 JJGE Cn1nc(Br)c(CC(CBr)(CBr)c2ccc(Cl)cc2)n1 2235293157 JJQFDKIDNIWPFD-UHFFFAOYSA-N 486.433 4.501 50 10 JJGE COc1ccc([C@@H](Br)c2cccc(F)c2I)c(OC)c1 2287085447 WUJPIVAMFWOJMA-CQSZACIVSA-N 451.073 4.932 50 10 JJGE Clc1ccc(CN2C[C@@H](CBr)C3(CCC3)C2)c(I)c1 2341049458 ZFZSYQFPMBRILE-GFCCVEGCSA-N 454.577 4.942 50 10 JJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2cc(Br)cc(Br)c2)[C@H]1C 2344519982 IDWFDIUODZWILX-RVBZMBCESA-N 454.000 4.846 50 10 JJGE CC(C)OCCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(C(C)(C)C)cc2)nc2ccccn2c1=O 35419856 LQBICGIPEFHVSD-JZJYNLBNSA-N 488.588 4.623 50 10 JJGE CCOc1cc(/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 38606452 DZCMAEWMKGOEBY-KGENOOAVSA-N 494.975 4.946 50 10 JJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1 38658122 KLRUEONUPOEAIF-MHZLTWQESA-N 468.509 4.762 50 10 JJGE COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3cc(C)cc(C)c3)nc3ccccn3c2=O)c1 39858772 DQYGLDMASJZWSF-RGEXLXHISA-N 466.497 4.658 50 10 JJGE Cc1ccc(C(=O)NNc2ncnc(Oc3ccc(Br)c4cccnc34)c2[N+](=O)[O-])cc1 40657479 NAYFGKGNDBSHGV-UHFFFAOYSA-N 495.293 4.553 50 10 JJGE Nc1c(NCc2ccc(Cl)cc2)ncnc1NNC(=O)C(c1ccccc1)c1ccccc1 40784039 FSCMOAHJJCHIOV-UHFFFAOYSA-N 458.953 4.600 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1Cl 40869956 IIBUNGLFFWRCIF-WOJGMQOQSA-N 491.887 4.699 50 10 JJGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)C1=O 101332804 USJQJAYSUVOKAF-LPYMAVHISA-N 454.505 4.989 50 10 JJGE CC(C)(CCBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 142754002 HCPRDGKQUZELQC-UHFFFAOYSA-N 454.011 4.598 50 10 JJGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\N1CCC(Cc2ccccc2)CC1 217253761 YAZGLEQLIMTIQA-SILNSSARSA-N 485.369 4.900 50 10 JJGE COc1ccc(N[C@H](C)C(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)cc1 251560134 QMOIYTIUVMMHAZ-QGZVFWFLSA-N 482.378 4.987 50 10 JJGE aggregator COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cccc4ccccc34)cc2OC)cc1 254349376 LHOCKPPHZAWRCE-UHFFFAOYSA-N 484.508 4.605 50 10 JJGE Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)NN=Cc2c(O)ccc3ccccc23)[nH]n1 254365218 VKILVBBPHXLWNF-UHFFFAOYSA-N 450.502 4.502 50 10 JJGE COc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)c1OC 254440406 FFKGRAJGBJBWBO-UHFFFAOYSA-N 487.585 4.502 50 10 JJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3C)cc2OC)cc1 254506890 LHGUPEXCPRJPIR-UHFFFAOYSA-N 490.556 4.931 50 10 JJGE Oc1ccc(Br)cc1[C@@H]1CN(Cc2ccccc2)C[C@H]1CI 382728888 SPBPFHWNDVAYOY-RHSMWYFYSA-N 472.164 4.805 50 10 JJGE O=C(CBr)c1c(Br)cc(C(F)F)cc1I 575683347 AQCOITSDGXQIQG-UHFFFAOYSA-N 453.846 4.569 50 10 JJGE ClCc1nc2ccccc2n1-c1cc(I)cc(I)c1 690392547 MHLYZRBAYDTTPL-UHFFFAOYSA-N 494.501 4.974 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CCS[C@H](CCBr)C1 720041644 QNLWNFOFSPVWNX-GFCCVEGCSA-N 472.040 4.554 50 10 JJGE CN(C(=O)c1ccc(I)c(Br)c1)[C@@H]1CCCC[C@@H]1Cl 721619796 MLTALCHAFZHOOO-WCQYABFASA-N 456.549 4.676 50 10 JJGE O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(Cl)c(Cl)c1 1083959417 JAXJZGFDHQNJBP-UHFFFAOYSA-N 496.803 4.992 50 10 JJGE N#C/C(=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)NC[C@H]1CCCO1 1084480653 PNCLKQDKTTUQDC-SARUNTBLSA-N 464.363 4.654 50 10 JJGE O=C(NN=Cc1ccccc1OCc1ccc(Br)cc1)c1cccc(N2CCCC2=O)c1 1084601387 JJSUZXXKPCGFBC-UHFFFAOYSA-N 492.373 4.919 50 10 JJGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747621 NFJRQCNIDJITPL-UHFFFAOYSA-N 497.511 4.696 50 10 JJGE CCOc1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1772752812 CTICEDAXHBFOOU-UHFFFAOYSA-N 468.937 4.855 50 10 JJGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705849 HCRNUJHEKORYIK-HXUWFJFHSA-N 465.897 4.613 50 10 JJGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 1872752231 SJPJWNAKBHESRV-JZJYNLBNSA-N 474.498 4.931 50 10 JJGE CC(C)Oc1ccc(/C=C(/C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)c2ccccc2)cc1 1873777959 XQMJWDJOEOPINT-IKUOUCRASA-N 484.600 4.791 50 10 JJGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCCC2)CCN1C(=O)OC(C)(C)C 1959576075 RYSVUSCKRJOGBV-UHFFFAOYSA-N 476.456 4.647 50 10 JJGE Cc1cc(C=C(C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(C)n1-c1ccccc1 2042453447 JQXSNNNVMQBHEV-UHFFFAOYSA-N 450.546 4.576 50 10 JJGE O=C(NC[C@@H](Br)CC(F)(F)F)c1cc(Br)c(Br)s1 2055497401 NYFIZSHMJJRAOV-BYPYZUCNSA-N 473.934 4.719 50 10 JJGE FC(F)(F)Oc1c(I)cc(CCl)cc1I 2060235792 NGHQBCUDRYEQAP-UHFFFAOYSA-N 462.374 4.533 50 10 JJGE FC(F)c1c(I)ccc(CBr)c1I 2060239571 ARZRIPTXQJDPHR-UHFFFAOYSA-N 472.836 4.728 50 10 JJGE Cc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)cc1F 2079241069 NDMUZHCLUJXVLP-UHFFFAOYSA-N 477.037 4.897 50 10 JJGE COc1cc(Br)c(C)cc1[C@@H](Br)c1c(Br)cnn1C 2089722211 HLYYGJMEWVLUPK-GFCCVEGCSA-N 452.972 4.746 50 10 JJGE CCOc1ccc([C@@H](Br)c2cn(C)nc2Br)cc1Br 2116553993 HLGMAZWWVMDTAO-GFCCVEGCSA-N 452.972 4.828 50 10 JJGE COc1c(Br)cc(C)cc1[C@H](Br)c1cnn(C)c1I 2139005550 IWYYCRBLTAIMQX-NSHDSACASA-N 499.972 4.589 50 10 JJGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cccc(Br)c1Br 2148757916 UNPANQWGOWTYNW-NRMKKVEVSA-N 466.011 4.988 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CCC2(CC1)C[C@H]2CCl 2148906584 YXEMANMDRRZSAJ-NSHDSACASA-N 468.560 4.535 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC2(CC[C@@H]1CBr)CC2 2154166731 JIJISPWXNBKFDR-LLVKDONJSA-N 466.011 4.991 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1C[C@H]2CCC[C@]2(CBr)C1 2159409226 POVRBYWKLIWXKG-BMIGLBTASA-N 468.560 4.582 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1CN(CC2(CBr)CCCCC2)C[C@@H]1C(F)(F)F 2163058087 HSVSLPYGTUIINH-GJZGRUSLSA-N 457.375 4.967 50 10 JJGE BrC[C@]12CCCO[C@H]1CN(Cc1cc(Br)ccc1Br)C2 2238837861 ZELUIYAHUGXJII-GJZGRUSLSA-N 468.027 4.588 50 10 JJGE C[C@H](CNC(=O)Cc1cc(Br)cc(Br)c1)C[C@@H](C)Br 2277935997 JXXSQSRXFVUGCJ-VHSXEESVSA-N 456.016 4.680 50 10 JJGE O=C(NCC[C@@H]1CCCC[C@@H]1Br)c1c(F)cccc1I 2282787380 PPAXUKGJNBPAAW-QWRGUYRKSA-N 454.121 4.504 50 10 JJGE COc1ccc([C@H](Br)[C@@H]2C[C@H]2C2CCOCC2)cc1I 2285002314 LSCYXWUVQLLMRB-ZENOOKHLSA-N 451.142 4.799 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCC(=O)Nc1ccccc1 2297334500 IPMLVLALJSWMRR-XXBNENTESA-N 461.562 4.705 50 10 JJGE COc1ccc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1Br 2297551470 MOCUYYSHXBMDGZ-UHFFFAOYSA-N 481.100 4.674 50 10 JJGE CCOCCCN1C(=O)C(=Cc2ccc(OCc3ccccc3)c(OCC)c2)C(C)=C(C#N)C1=O 2314618211 JISDBVWUXYLXJL-UHFFFAOYSA-N 474.557 4.683 50 10 JJGE N#CC(=Cc1ccc(OC(=O)C(C#N)=Cc2ccc(Cl)cc2)cc1)C(=O)NCc1ccco1 2314754269 OHCUZNFEOCRSEZ-UHFFFAOYSA-N 457.873 4.669 50 10 JJGE CCC(C)(C)c1ccc(OCCCC(=O)Oc2ccc(C=C(C#N)C(N)=O)cc2OC)cc1 2314808184 ROHIIEDXJRDMRV-UHFFFAOYSA-N 450.535 4.540 50 10 JJGE N#CC(=CC1=C(N2CCOCC2)C(=Cc2ccc([N+](=O)[O-])cc2)CC1)C(=O)Nc1ccccc1F 2319694879 ZOIRFOKFODUJLH-UHFFFAOYSA-N 474.492 4.586 50 10 JJGE CC(C)(C)N1C[C@H](Cc2ccc(Cl)c(I)c2)[C@@H](Br)C1 2337219667 VLDQGORYOPVMRS-RYUDHWBXSA-N 456.593 4.981 50 10 JJGE O=C(N[C@@H]1C[C@H](CBr)C12CCC2)c1cc(Br)cc(Br)c1 2379721886 UBSRLDZBEQIHRZ-ZWNOBZJWSA-N 466.011 4.895 50 10 JJGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1)c1ccc(Cn2cc(Br)cn2)o1 8456062 GJNDTLGCHJUFON-UHFFFAOYSA-N 479.334 4.630 50 10 JJGE N#C/C(=C/c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1 33368032 BYMMWUQQTPLLLN-UYRXBGFRSA-N 481.892 4.618 50 10 JJGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c(OC)c1 33677908 AHMYAUJKTWSVLI-GIBFOZDASA-N 457.313 4.830 50 10 JJGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Cl)c1 38651152 TWFSRCNZACZIFJ-DEOSSOPVSA-N 462.889 4.551 50 10 JJGE O=C(NNc1ncnc(Nc2cccc(Cl)c2Cl)c1[N+](=O)[O-])c1ccc(Br)cc1 40646706 PYEPLNFFDQAHIJ-UHFFFAOYSA-N 498.124 4.955 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40649079 JBRMYVIYQXESMS-UHFFFAOYSA-N 453.673 4.846 50 10 JJGE C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc1I 59533538 ZRWDCQMELIUMRF-ATVHPVEESA-N 458.299 4.964 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1 205661010 ZJQFJTOOQLPIOM-ZFJVXLQESA-N 468.509 4.931 50 10 JJGE COc1ccc(CCCC(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1C 254568131 XRTIGHWLUJBGOD-UHFFFAOYSA-N 491.544 4.972 50 10 JJGE O=C(CBr)c1cc(C(F)F)cc(I)c1Br 575686699 QCXNIMQXDUVDCH-UHFFFAOYSA-N 453.846 4.569 50 10 JJGE CC1(C)CC(=O)c2sc(NC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)nc2C1 726935995 HYXLPNBJXNRGRQ-BOPFTXTBSA-N 470.558 4.621 50 10 JJGE Cc1cccc(N(CC(=O)NN=Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1 1084002666 SQDRJOYEVYILEV-UHFFFAOYSA-N 476.385 4.647 50 10 JJGE Cc1c(C(=O)NCc2ccccc2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751697 WTLCEUNPPGARAH-UHFFFAOYSA-N 452.514 4.537 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682734 WNOWGQNRGIXNFV-DEOSSOPVSA-N 498.514 4.678 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)ccc1OCc1ccc(C)cc1 1865695495 OXBNWKVZAHWANL-LJQANCHMSA-N 470.451 4.553 50 10 JJGE CCCc1nn(C)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865700950 IEYSMUBYJLCVGF-JOCHJYFZSA-N 464.953 4.832 50 10 JJGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(Br)cc1 1865703984 KCXGELJEKYXIFW-NRFANRHFSA-N 465.351 4.950 50 10 JJGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1865706397 VTLPCUNIRGOXNI-MRXNPFEDSA-N 475.814 4.979 50 10 JJGE COc1cc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc(OC)c1OC 1872756015 AKKXAVUFCDXUIX-ZZEZOPTASA-N 479.558 4.675 50 10 JJGE C[C@H](Br)C[C@@H](C)NCc1ccc(I)c(Br)c1 1904336986 CBCWFLUUPHBPKT-DTWKUNHWSA-N 460.979 4.705 50 10 JJGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)C(=O)[C@H](Br)C2CCCC2)C1 1955037339 BQPVCTVVSMGWEL-LJQANCHMSA-N 451.405 4.588 50 10 JJGE BrCC[C@H]1CCCN(c2ncc(I)cc2Br)CC1 2069531662 LBQDQBMTJLLGHH-SNVBAGLBSA-N 488.005 4.840 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CCC12CC(CBr)C2 2104559930 FPRRABHDFHDDIQ-UHFFFAOYSA-N 451.984 4.601 50 10 JJGE CN(C(=O)c1ccc(Br)cc1I)[C@@H]1CCCC[C@H]1Cl 2142285640 RZAFYICNUPWCLB-DGCLKSJQSA-N 456.549 4.676 50 10 JJGE O=[N+]([O-])c1sc(CBr)cc1N1CC[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 2148937869 AYABLHIMIJFCFF-IRXDYDNUSA-N 450.402 4.900 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC2(CCC2)C[C@H]1CBr 2151515205 FHVHQINHQBJZTJ-NSHDSACASA-N 466.011 4.991 50 10 JJGE O=S1(=O)CCc2cc([C@H](Cl)c3cc(Br)sc3Br)ccc21 2170066164 FQDOPQAYBDTRMH-LBPRGKRZSA-N 456.608 4.931 50 10 JJGE COc1ccc(CBr)cc1S(=O)(=O)N(CCC(F)(F)F)Cc1ccccc1 2179858591 QHWBCNSSXWRQFS-UHFFFAOYSA-N 466.319 4.733 50 10 JJGE Cc1c(Br)cnc2c1nc(CCl)n2[C@H]1CCOC[C@H]1OCc1ccccc1 2184922719 OTNMVJPPZZIKEQ-DLBZAZTESA-N 450.764 4.788 50 10 JJGE CC(C)(C)OC(=O)NC1(CNC(=O)[C@H](Br)C2CCCC2)CCC(F)(F)CC1 2201484643 YVZMNDXIMWDDPG-CQSZACIVSA-N 453.368 4.529 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](Cl)C(F)(F)CC1 2207265163 NUHPIQXJDZQMCM-LLVKDONJSA-N 478.502 4.532 50 10 JJGE CC(C)(C)OC(=O)N1CCC(C2CCN(CCCCCI)CC2)CC1 2220214819 KHEIRZLSJIAXMH-UHFFFAOYSA-N 464.432 4.951 50 10 JJGE ClCCc1nc2ncccc2n1-c1ccc(Br)cc1I 2240288487 CCPLCLPONZEEGJ-UHFFFAOYSA-N 462.516 4.569 50 10 JJGE CN(Cc1ccccc1I)c1ncc(CCl)cc1Br 2265538327 XFWPCKRTVOOIRT-UHFFFAOYSA-N 451.533 4.824 50 10 JJGE FC1(F)[C@@H]2COC[C@@]21[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277954461 XEPSSGWSCHAEOK-WOPDTQHZSA-N 460.938 4.799 50 10 JJGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCOC)cc1 2296540302 OCXXSRGQJJATSX-UHFFFAOYSA-N 458.562 4.778 50 10 JJGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1O 2313570842 HGMSYVHVNGAXMC-UHFFFAOYSA-N 489.096 4.858 50 10 JJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1 2314634728 DAJMJEYRLUYLNI-SANMLTNESA-N 466.493 4.619 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cc(OC)c(OCc2ccccc2)c(OC)c1 2328821203 CVYGBWCQOMKQBT-MBSDFSHPSA-N 499.608 4.672 50 10 JJGE O=C(N[C@@H]1CCCC[C@@H]1CBr)c1ccc(Cl)cc1I 2340054792 BLTPTCIORWETOP-NOZJJQNGSA-N 456.549 4.628 50 10 JJGE CC(C)[C@H]1C[C@H](Br)CN1C(=O)c1cc(Br)ccc1Br 2344609924 AJUNXXHUBGEBGI-GXFFZTMASA-N 454.000 4.846 50 10 JJGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)c1ccc(OC)c(Br)c1 10683403 UYMCUZAPBWLHAG-KDOFPFPSSA-N 463.372 4.590 50 10 JJGE O=C(NC(=S)NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(OCCc2ccccc2)cc1 14041871 ALCBPPLXHCQOMO-UHFFFAOYSA-N 488.396 4.564 50 10 JJGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1OC 19800146 NAVXEWVPGWZMTB-UHFFFAOYSA-N 487.585 4.502 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@H]1c1cccc([N+](=O)[O-])c1 38654225 OKBBXJOVLAYQQL-HSZRJFAPSA-N 461.861 4.614 50 10 JJGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Nc1ccc(Br)cc1 40782277 PSUPCHPZURIAMM-UHFFFAOYSA-N 489.377 4.840 50 10 JJGE COc1cc(/C=N/NC(=O)COc2cccc(Br)c2)ccc1OCc1ccc(C)cc1 40911183 IVJQCRPUBOLEDO-VULFUBBASA-N 483.362 4.874 50 10 JJGE CCOc1ccc(/C=C(\C#N)C(=O)N(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1OC 40977729 FVBRJEIMDHOKAE-LTGZKZEYSA-N 476.554 4.731 50 10 JJGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])c(O)cc2O)cc1 59680073 FXEGIQNTZHUZOR-CVKSISIWSA-N 456.458 4.536 50 10 JJGE CCC[C@H](CCBr)CNS(=O)(=O)c1cc(Cl)c(Br)s1 227506007 CFTHNENTWWVLPD-MRVPVSSYSA-N 453.649 4.644 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CCCC[C@@H]1CCCl 236042001 CBXTYGDLPQBHFU-LLVKDONJSA-N 456.549 4.677 50 10 JJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(O)cc3)cc2OC)cc1 254292395 KHMUBNSVNWPBQW-UHFFFAOYSA-N 462.502 4.563 50 10 JJGE O=C(CBr)c1cc(C(F)(F)F)cc(C(F)(F)F)c1I 575340505 HMAIKZKZBKPVFM-UHFFFAOYSA-N 460.937 4.906 50 10 JJGE C[C@@H]1CCCN(C(=O)c2cc(Br)cc(Br)c2)[C@H]1CBr 688679660 PVCGIALIPRYZGC-RNCFNFMXSA-N 454.000 4.847 50 10 JJGE CN([C@H]1CCC[C@@H]1Br)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 709127226 NPTMPCJYBJANAE-KWQFWETISA-N 466.022 4.692 50 10 JJGE Cn1cc(COc2c(F)cc(Br)cc2CBr)c(Br)n1 715722099 QZWQTDJRDYZJQJ-UHFFFAOYSA-N 456.935 4.558 50 10 JJGE COc1cccc(COc2ccccc2C=NNC(=O)[C@@H](C)Oc2ccccc2Br)c1 1084333740 XJKPSWSOSIVAAM-QGZVFWFLSA-N 483.362 4.954 50 10 JJGE Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2ccccc2OCc2ccc(C(=O)O)cc2)c1 1084528114 OOIWCSWMPADCPM-UHFFFAOYSA-N 460.530 4.925 50 10 JJGE C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@@H]4C[C@]2(C)[C@]1(OC(=O)c1ccco1)C(=O)CCl 1848435308 PGAGVJAYRDPYKY-KPGVJMCISA-N 484.976 4.668 50 10 JJGE CCCc1nn(CC)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688196 MWTFIWVSLFKINW-DEOSSOPVSA-N 458.562 4.704 50 10 JJGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OC(C)C)c(OC)c1 1865697606 XXLHZBFNZJECMR-HSZRJFAPSA-N 474.561 4.983 50 10 JJGE C[C@@H]1C[C@@H](CBr)CN(C(=O)c2csc(Br)c2Br)C1 2032953927 SPOBAHUFSGBGOR-SFYZADRCSA-N 460.029 4.766 50 10 JJGE COc1sc([C@H](Br)c2c(C)nn(C)c2Br)cc1Br 2065889903 GQDWTOUYJCGCBM-VIFPVBQESA-N 459.001 4.808 50 10 JJGE CC[C@@H](C)[C@H](CI)NC(=O)c1cc(Cl)ccc1I 2081239265 PXYDPSQWODZYKG-PELKAZGASA-N 491.538 4.524 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CCC2(CC(Br)C2)C1 2117404567 KYFMEHMTDVWXGB-UHFFFAOYSA-N 451.984 4.601 50 10 JJGE CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cc1Cl 2179795227 PHKSVJHAPWSOFD-SFHVURJKSA-N 471.848 4.520 50 10 JJGE COc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)CC(F)(F)F 2179825950 NCSDAYXTHZJZFZ-UHFFFAOYSA-N 486.737 4.997 50 10 JJGE Cc1ccccc1[C@H](CI)OCCOCCOCCOCc1ccccc1 2236089964 VCYOWDCKJUJFEB-QFIPXVFZSA-N 484.374 4.738 50 10 JJGE C[C@]1(CBr)C=CCCN1C(=O)c1scc(Br)c1Br 2253428497 WXILUMCNSKVTKU-GFCCVEGCSA-N 458.013 4.829 50 10 JJGE CC[C@H](Br)CN(C(=O)c1ccc(Cl)c(I)c1)C1CC1 2268348065 CAWVPSJKRLDZAO-JTQLQIEISA-N 456.549 4.723 50 10 JJGE C[C@H]1[C@H](Br)C[C@@H](C)CN1C(=O)Cc1cc(Br)cc(Br)c1 2295312882 BYWPSAMACXBBRJ-ISTVAULSSA-N 468.027 4.775 50 10 JJGE Cc1ccccc1C[C@H]1SC(=C(C#N)C(=O)NCCc2ccccc2)N(c2ccc(F)cc2)C1=O 2296834978 IRFNWHKFBUWFCT-RUZDIDTESA-N 485.584 4.919 50 10 JJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 2297382497 LPMLAAXFBOAGLM-UHFFFAOYSA-N 499.508 4.826 50 10 JJGE C[C@H](SCc1ccccc1)C(=O)NN=C1C(=O)N(CC=Cc2ccccc2)c2ccccc21 2313648642 SUCVEKIDCWIGKB-FQEVSTJZSA-N 455.583 4.889 50 10 JJGE N#CC(=CNc1ccc(S(=O)(=O)O)cc1)C(=O)Nc1ccccc1Sc1ccccc1 2325331654 DFTLQINBQVHFOC-UHFFFAOYSA-N 451.529 4.543 50 10 JJGE COc1cc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OCc1ccc(C)cc1 2328799898 MZKJUFYTYQEZIN-QHCPKHFHSA-N 469.582 4.582 50 10 JJGE CCOc1ccc(-c2csc(C(C#N)=C(O)CNS(=O)(=O)c3ccc(C)cc3)n2)c(OCC)c1 2331389359 XFYDWEYONZZROM-UHFFFAOYSA-N 499.614 4.687 50 10 JJGE O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1cccc(OCCOc2ccccc2)c1 14040894 TWHRKRAKFHPYJN-UHFFFAOYSA-N 466.537 4.738 50 10 JJGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2cc(Br)ccc2OCC(C)C)c1 14666991 WTGQUULARIYVQC-UHFFFAOYSA-N 477.399 4.756 50 10 JJGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)c1cc(Br)ccc1OC(C)C 14667924 VYQKFLXOHUUIES-OAHLLOKOSA-N 463.372 4.590 50 10 JJGE O=S(=O)(NC[C@@H]1CCCC[C@@H]1Br)c1c(Cl)cc(Br)cc1Cl 136973252 DSFPEEFFFQZTHG-WPRPVWTQSA-N 480.049 4.988 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CCC[C@H](CCBr)C1 161199333 QWLGAXPXDNXKMN-SNVBAGLBSA-N 454.000 4.849 50 10 JJGE Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)CSCc1ccc(Br)cc1 252628112 SIGOXSPLLUARLG-UHFFFAOYSA-N 477.815 4.980 50 10 JJGE CCC(=NNC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1)c1ccc(O)cc1 254379283 GBNGPXOLWNMERI-UHFFFAOYSA-N 487.585 4.671 50 10 JJGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)c(OC)c1 254629628 HTEZQYHJDLEPJD-UHFFFAOYSA-N 487.585 4.502 50 10 JJGE CCN(C[C@](C)(CI)OCc1ccccc1F)C(=O)OC(C)(C)C 303741171 HSBLDEUSAWUNOK-SFHVURJKSA-N 451.320 4.793 50 10 JJGE O=C(C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Cl)OCc1ccccc1 306326210 LZSDGDUEULDGQO-HSZRJFAPSA-N 463.917 4.793 50 10 JJGE CC[C@@H](NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)[C@@H](C)Br 386647182 AZGLHAUIBRGNSG-LHLIQPBNSA-N 454.011 4.596 50 10 JJGE O=C(CBr)c1c(I)ccc(C(F)F)c1Br 575684391 GFQSGPIAZUOSQT-UHFFFAOYSA-N 453.846 4.569 50 10 JJGE C[C@@H](Br)[C@@H]1CCCN(C(=O)c2cc(Br)c(Br)s2)C1 688976225 FOODMBYHIGMHQD-HTQZYQBOSA-N 460.029 4.909 50 10 JJGE CN([C@H]1CCC[C@H]1Br)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 709127225 NPTMPCJYBJANAE-KCJUWKMLSA-N 466.022 4.692 50 10 JJGE CCOc1cccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1O 725426570 RDFWYNJXNSKTMU-FUHWJXTLSA-N 481.330 4.578 50 10 JJGE CCN(C)Cc1cccc(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1 743876724 BHMGWQFBRUQSSF-HAHDFKILSA-N 487.007 4.792 50 10 JJGE CCOc1ccc(Br)cc1C=NNC(=O)CSc1nc2ccccc2s1 1772760483 QUNDKFXXJFGYDR-UHFFFAOYSA-N 450.383 4.700 50 10 JJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865698028 IIFDJYWRQFMNPK-NRFANRHFSA-N 456.527 4.836 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1cccc([N+](=O)[O-])c1 1865706166 PGVOLVZVPHFNSA-HNNXBMFYSA-N 461.787 4.671 50 10 JJGE CCN(C[C@@](C)(CI)O[C@@H]1COC2(CCCCC2)C1)C(=O)OC(C)(C)C 1879028821 GPNZBDXMGNVYRI-QFBILLFUSA-N 481.415 4.946 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1985347196 OUJVZDIVLFIYEL-DLBZAZTESA-N 463.710 4.566 50 10 JJGE CC(C)[C@](C)(CBr)NC(=O)c1ccc(Br)cc1I 2086151798 SREYKDSOMKEFNV-ZDUSSCGKSA-N 488.989 4.593 50 10 JJGE C[C@@H](Br)[C@H]1CCCN(C(=O)c2cccc(Br)c2Br)C1 2092333001 LWLOCGORDFWFSK-ZJUUUORDSA-N 454.000 4.847 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 2093941935 GMCKPRLVKVXHMS-XHNCKOQMSA-N 472.040 4.909 50 10 JJGE O=C(NC[C@@H]1C[C@@H](Cl)C12CCC2)c1cc(Br)ccc1I 2172230977 GPJABYANLUQURX-TVQRCGJNSA-N 468.560 4.581 50 10 JJGE Cc1sccc1CN(C)S(=O)(=O)c1cc(CBr)sc1Br 2179785356 KYJACFPYWJHWCV-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1[C@H](CBr)CCC12CCC2 2205771191 CVJKGUTVJZIPSK-NSHDSACASA-N 468.560 4.867 50 10 JJGE Brc1sc([C@H]2COC[C@H]2Br)c(Br)c1Br 2209978478 XZHGCXLFYFRQSB-IUYQGCFVSA-N 469.818 4.913 50 10 JJGE Brc1cccc(CC23COC(CI)(C2)C3)c1Br 2216249491 ISZFNOJXNJXLFS-UHFFFAOYSA-N 471.958 4.738 50 10 JJGE C[C@@]1(CNC(=O)c2ccc(I)c(Br)c2)CCC[C@H]1Cl 2271305117 KJXXDVLMOIOQLU-OCCSQVGLSA-N 456.549 4.581 50 10 JJGE CC(C)n1ncc(Br)c1CN(C)C[C@@H](Br)COCc1ccccc1 2303026189 UPKQKKZJHIVNRA-MRXNPFEDSA-N 459.226 4.639 50 10 JJGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)C(C)=C(C#N)C1=O 2314616437 ALTYNEKJJRFICH-UHFFFAOYSA-N 452.489 4.765 50 10 JJGE CC[C@]1(C)[C@@H](Br)CCN1C(=O)c1ccc(Br)cc1Br 2336761535 JNAKSPLFZLXPAS-GXTWGEPZSA-N 454.000 4.990 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CCC(CCCBr)CC1 2365590082 CCTXBVYGLPPYJA-UHFFFAOYSA-N 470.576 4.972 50 10 JJGE O=C(NC[C@]1(CBr)CC12CCC2)c1ccc(Cl)cc1I 2365592466 NJUQAKMEHYYOGY-OAHLLOKOSA-N 468.560 4.630 50 10 JJGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1 10295327 ZOVUFMDWBLEGOG-GFCCVEGCSA-N 461.996 4.681 50 10 JJGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14031627 IKBODRQRZAWKSM-HNNXBMFYSA-N 461.345 4.921 50 10 JJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 14658920 MFVVSSPOZBWUBF-OAHLLOKOSA-N 463.372 4.590 50 10 JJGE COc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)c1 39993081 OMLNVYVNAPDQHP-XSFVSMFZSA-N 480.524 4.966 50 10 JJGE Cc1ccc(Cl)cc1Nc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1N 40705014 NRIMUQDDDACLKJ-UHFFFAOYSA-N 467.744 4.593 50 10 JJGE CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NCc4ccccc4)c(=O)oc3c2)cc1 40890849 BUZGIELQMSAMQH-HYARGMPZSA-N 494.503 4.634 50 10 JJGE O=C(N/N=C/c1ccc(I)o1)c1cc(-c2ccccc2)nc2ccccc12 58900491 PWBSPDCKRGWQAD-YDZHTSKRSA-N 467.266 4.863 50 10 JJGE CC(C)(C)OC(=O)[C@@H](CI)NC(=O)OCC1c2ccccc2-c2ccccc21 98092325 WFECRYMZJXNQQC-LJQANCHMSA-N 493.341 4.670 50 10 JJGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3cccs3)nnc2-c2ccccc2)cc1 254292331 JKIULOUBWVJCCI-UHFFFAOYSA-N 463.588 4.637 50 10 JJGE COc1cccc(C=NNC(=O)c2ccc(OCc3cccc(Br)c3)cc2)c1OC 254399111 UHCSFRMQDXEPOM-UHFFFAOYSA-N 469.335 4.809 50 10 JJGE CC(=NNC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(NC(=O)C(F)(F)F)cc1 254440680 JWYUUMHBHPYXRA-UHFFFAOYSA-N 453.420 4.965 50 10 JJGE C[C@@H](Br)C[C@H]1CCCCN1C(=O)c1ccc(F)cc1I 380228551 KYSAVGQWAPVVDX-ZYHUDNBSSA-N 454.121 4.599 50 10 JJGE CC1(C)C[C@@H](Br)CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 395302081 AUSFKZUJHMXMRH-QMMMGPOBSA-N 465.660 4.738 50 10 JJGE Fc1cc2c(cc1I)nc(CCCl)n2C1[C@@H]2CN(Cc3ccccc3)C[C@@H]12 398346213 GSDGYOLQVKYAPI-HUUCEWRRSA-N 495.767 4.864 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2CC[C@H](Br)C[C@H]2C1 398851785 STYQWVVLKYDJNN-CIUDSAMLSA-N 472.040 4.909 50 10 JJGE C[C@H](NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 917700049 GIYKXTWDPHUOAU-QUYZQLMHSA-N 474.908 4.810 50 10 JJGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746084 OXXQZXRZFTUTRL-UHFFFAOYSA-N 476.489 4.536 50 10 JJGE CCCc1ccc(OCC(=O)NN=Cc2ccc(OC)c(Br)c2)c(Br)c1 1772756398 XCWQWKNLTBXJMW-UHFFFAOYSA-N 484.188 4.702 50 10 JJGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680459 LPVCCTSLMCATCZ-VWLOTQADSA-N 494.551 4.853 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc(Br)c1O 1865689262 OEGISAUQOACWCA-IBGZPJMESA-N 495.377 4.901 50 10 JJGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1ccccc1Cl 1865692747 HVCMWBKCFUQTFZ-NRFANRHFSA-N 464.953 4.773 50 10 JJGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865710615 CPQVYHKDJNLBFO-QFIPXVFZSA-N 480.952 4.722 50 10 JJGE CCc1ccc(-c2ccc(C(=O)N/N=C\c3ccc(OCC(=O)N(CC)CC)cc3)c(C)n2)cc1 1865760863 SOCRCWCECMUDIV-MIXAMLLLSA-N 472.589 4.631 50 10 JJGE CC1(C)[C@H](Br)CCCN1C(=O)c1c(Br)cccc1Br 1887806532 IWOODIMPMQQYEJ-LLVKDONJSA-N 454.000 4.990 50 10 JJGE CCc1sc(Br)cc1[C@@H](Br)c1cnn(C)c1I 1943033388 LSRNHAYEEIYLBJ-SNVBAGLBSA-N 490.002 4.895 50 10 JJGE CC1(C)CC[C@@H](CBr)N1c1ncc(I)cc1Br 2025410878 VCDLMKAZADVBQH-VIFPVBQESA-N 473.978 4.591 50 10 JJGE O=C(c1scc(Br)c1Br)N1CCC(F)(CBr)CC1 2039788909 IZKYWTSCBPJWLS-UHFFFAOYSA-N 463.992 4.612 50 10 JJGE C[C@]1(CCBr)CCN(C(=O)c2cc(Br)c(Br)s2)C1 2068150982 NGZQVWNYYYGNSN-LBPRGKRZSA-N 460.029 4.910 50 10 JJGE O=C(N[C@H]1CCCC[C@H]1CBr)c1cccc(Br)c1Br 2092339392 DFDWUNKFFHEELB-CABZTGNLSA-N 454.000 4.895 50 10 JJGE CC1(C)[C@@H](CBr)CCN1C(=O)c1cc(Br)cc(Br)c1 2095212563 KVPWOPKCHQVCRU-SNVBAGLBSA-N 454.000 4.847 50 10 JJGE CC[C@@H](Cl)CN(C(=O)c1cc(Br)ccc1I)C1CC1 2107414588 LCVSHKLKRSNQLA-SNVBAGLBSA-N 456.549 4.676 50 10 JJGE C[C@H](NC(=O)c1cccc(Br)c1Br)[C@H]1CCC[C@@H]1Br 2111554369 HDUODZPFDCINIR-NGZCFLSTSA-N 454.000 4.894 50 10 JJGE O=C(N[C@H]1CC[C@@H](CBr)CC1)c1cc(Cl)ccc1I 2118505833 ROGLUGZSDKJCGX-JGZJWPJOSA-N 456.549 4.628 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@@H](Br)[C@@H]1C1CC1 2130611539 LZQDVXHIPXKMCW-OLZOCXBDSA-N 451.984 4.600 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CCC[C@@H](CCBr)CC1 2149748420 OPXUHJITPTZMJJ-NSHDSACASA-N 470.576 4.972 50 10 JJGE CC(C)(C)OC(=O)NC1CC(C[S@@](C)(=O)=NC[C@H](CBr)c2ccccc2)C1 2172246800 KLPGWEQGGPAVKT-GQIFPYELSA-N 459.450 4.566 50 10 JJGE O=C(NC[C@@]1(CBr)C[C@H]1C(F)(F)F)c1cc(Br)c(Cl)s1 2192562366 IOASPOUYEQZLJN-XCBNKYQSSA-N 455.521 4.857 50 10 JJGE O=S1(=O)CCCC[C@@H]1[C@@H](Br)c1c(Br)cc(F)c(Cl)c1F 2201619262 PGHMCOPYNNGVMF-PSASIEDQSA-N 452.542 4.784 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@@H](Br)CCC12CC2 2220274629 NQINQURUSDSURJ-ZETCQYMHSA-N 458.013 4.805 50 10 JJGE O=S1(=O)CCC([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CC1 2288373159 GEDBEDOWLHGRDP-JTQLQIEISA-N 496.993 4.751 50 10 JJGE Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 2297458363 ZPSDQLDEYFXZPD-UHFFFAOYSA-N 469.545 4.567 50 10 JJGE BrC[C@H](COCc1cc(I)ccc1Br)C1CC1 2302645849 DHYGGIOZUKIXAM-LLVKDONJSA-N 473.974 4.991 50 10 JJGE C[C@H]1CN(Cc2ccc(I)c(Br)c2)CC[C@@H]1Br 2306231689 LYQOACRCBQHSGU-ONGXEEELSA-N 472.990 4.659 50 10 JJGE CCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](C)C3)cc1OC 2314729091 VJIJCORJUQPNJL-AWEZNQCLSA-N 454.548 4.612 50 10 JJGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(-c2ccccc2Cl)o1 2328796559 YOZXKBYEHYMRQQ-KRWDZBQOSA-N 451.976 4.697 50 10 JJGE COc1cc(C=C(C#N)c2nc(O)c3ccccc3n2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2331029900 DCYAYTVJFVKVDN-UHFFFAOYSA-N 468.425 4.536 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2365591504 MBQSYSXVDHEOTQ-YHPBZONMSA-N 468.560 4.723 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(CC)cc2Br)cc1 14025486 MTCLXZCYHKJXHZ-UHFFFAOYSA-N 477.399 4.811 50 10 JJGE CCOc1cc(/C=C2/C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)ccc1OCCBr 35304535 NCBNMANRGIKJRT-SFQUDFHCSA-N 473.323 4.674 50 10 JJGE Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(Oc3cc(C)cc(C)c3)nc3ccccn3c2=O)cc1 35549863 LTQZNGODSFWUDZ-PXLXIMEGSA-N 471.538 4.750 50 10 JJGE COc1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1[N+](=O)[O-] 40902935 AOYKBPPUZOBFNZ-ZMOGYAJESA-N 484.306 4.562 50 10 JJGE COc1cc(/C=N/NC(=O)COc2ccccc2Br)ccc1OCc1ccc(C)cc1 40911189 CYBXEDWBNTXVRE-VULFUBBASA-N 483.362 4.874 50 10 JJGE CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)CC[C@@H](O)c3ccc(OCC)cc3)c2C)cc1 58893235 QNLUQJJGRPHPQM-XBKLCXBFSA-N 491.588 4.633 50 10 JJGE O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@@H]2[C@@H](c3ccc(Br)cc3)c3sc(=S)[nH]c3S[C@@H]12 101202141 XHXQPGFJPVFZPJ-AOUWHDERSA-N 480.430 4.756 50 10 JJGE C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OC)c(Br)c1 102677199 NDKWBTKCPSQPQL-ATVHPVEESA-N 463.335 4.520 50 10 JJGE O=c1[nH]c2cc(Br)c([C@H](Cl)c3ccc(I)cc3)cc2[nH]1 109883663 ZSKYHBAMKZQFBX-CYBMUJFWSA-N 463.500 4.552 50 10 JJGE Cc1cn([C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O 195784232 DDLOCFSZSYGOPG-SQNIBIBYSA-N 470.759 4.545 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCc1cccc(Br)c1 231319477 ALPCULHVLWSXGU-INIZCTEOSA-N 484.172 4.684 50 10 JJGE Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 254871267 SWQCLGPOZPAXSG-UHFFFAOYSA-N 460.541 4.895 50 10 JJGE COc1cc(OC)c([N+](=O)[O-])cc1C=NNC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 263626278 YKSVWSCOZRBSMX-UHFFFAOYSA-N 471.554 4.855 50 10 JJGE CC[C@@H]1[C@@H](CBr)CCN1C(=O)c1cc(Br)sc1Br 385681246 NZRMJSCMDYYFTI-VXNVDRBHSA-N 460.029 4.909 50 10 JJGE C[C@@H]1CCCN(C(=O)c2cc(Br)sc2Br)[C@@H]1CBr 688621887 HYOJXBVHQAGNMQ-VXNVDRBHSA-N 460.029 4.909 50 10 JJGE Cc1csc([C@H](C)NC(=O)NNc2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)n1 727942583 QXZNMZBFWMNAML-INIZCTEOSA-N 458.609 4.795 50 10 JJGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 1084047307 WCJQMMZNOUHRNC-UHFFFAOYSA-N 495.963 4.805 50 10 JJGE C/C(=C/c1ccccc1Cl)C(=O)NNC(=O)COc1ccc(OCc2ccccc2)cc1 1124155610 YHQYGHGGMFEZHS-SDXDJHTJSA-N 450.922 4.549 50 10 JJGE C=CCN1CCC(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)CC1 1144417825 KACGDIZQSYRAHO-ZHZULCJRSA-N 456.512 4.787 50 10 JJGE C=C(Cl)CSc1nc(C)c(CC(=O)NNC(=S)Nc2ccccc2C(C)C)s1 1635272669 YSVWLQOVJJNYHS-UHFFFAOYSA-N 455.074 4.980 50 10 JJGE CC(=O)c1cccc(NC(=O)COc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)c1 1858836049 CJHUUPYJAHCEIO-UHFFFAOYSA-N 461.503 4.519 50 10 JJGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697218 PTOPBXLILPDUPI-HSZRJFAPSA-N 462.525 4.647 50 10 JJGE Cc1cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)nn1-c1ccccc1 1866836683 BAMBOGLTPQJSCZ-DEOSSOPVSA-N 499.571 4.873 50 10 JJGE COc1ccc([C@@H](CC(=O)NCC(=O)Nc2ccc(SC#N)cc2)c2ccc(F)cc2)cc1OC 1868165308 HMEDMJZEKQIRCK-QFIPXVFZSA-N 493.560 4.693 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1 1873794513 MMRDZZSTGWUGEI-MWGGWIEZSA-N 469.582 4.664 50 10 JJGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 1873795297 WLHILWGFECGXKT-CSLYNHGHSA-N 473.573 4.852 50 10 JJGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(CCl)sc1Br 1915477895 GBLZVJRCMUFSAR-UHFFFAOYSA-N 466.850 4.865 50 10 JJGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)C1CC(OCc2ccccc2)C1 1955612877 IJIQZCYTCYRYJG-ITAUSPCMSA-N 466.441 4.740 50 10 JJGE COC(CBr)(CBr)Cc1cc(Br)ccc1Br 1982458101 RPIVKZFISNQVJB-UHFFFAOYSA-N 479.832 4.929 50 10 JJGE C[C@@H]1C[C@H](NCCSSCCNC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 1985347457 SGEBPEHJSGJXTQ-IAGOWNOFSA-N 463.710 4.518 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@H](Br)C2(CCC2)C1 2108689180 BCSHNKMKCPGETN-NSHDSACASA-N 451.984 4.601 50 10 JJGE Brc1cnc(N2CC[C@@H]3CC[C@@H](Br)C[C@H]3C2)c(Br)c1 2139254600 OREIQULLGIZPHK-GARJFASQSA-N 453.016 4.997 50 10 JJGE C[C@@H]1C[C@H](Br)CCN(c2ncc(C(F)(F)F)cc2I)C1 2159541327 LDWYVTJQLIGXSD-PSASIEDQSA-N 463.079 4.705 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CC[C@H]2CC[C@@H](Cl)[C@H]1C2 2207257488 BZPBZDSZBUIGAA-GAJTVXKRSA-N 468.560 4.676 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@H]2CCCC(F)(F)C2)C1 2216581625 JEXSOTYCDKEFMK-BBRMVZONSA-N 459.315 4.786 50 10 JJGE C[C@H](CCCCBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277914288 GMEKCZWCYRKBAH-SNVBAGLBSA-N 456.016 4.824 50 10 JJGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1ccc(Cl)c(I)c1 2283669575 PJBNNJXGRADEOC-IDTAVKCVSA-N 468.560 4.721 50 10 JJGE CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NNC(=O)C(c1ccccc1)c1ccccc1 2293934552 OBHXQOGOIVFRFZ-UHFFFAOYSA-N 481.581 4.746 50 10 JJGE CC(C)(C)c1ccc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 2294764886 UOCFLBCFRHQIBI-UHFFFAOYSA-N 469.541 4.634 50 10 JJGE C[C@H]1C[C@H](CBr)CN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295307071 DYTGLTJZPXQZMC-CMPLNLGQSA-N 468.027 4.634 50 10 JJGE C[C@@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)[C@H](C)C[C@H]1Br 2295309741 NEKVBIRKSKAPBV-GPCCPHFNSA-N 468.027 4.775 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@@H]1CCCC[C@@H]1Br 2295316148 UVRWELNKPQHYDZ-FZMZJTMJSA-N 468.027 4.824 50 10 JJGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)Nc3cccc(C(=O)OCC)c3)o2)cc1 2296757693 XHBVFKAYEYUCBA-UHFFFAOYSA-N 458.470 4.846 50 10 JJGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)Nc3sc4c(c3C(N)=O)CCCC4)o2)cc1 2296833111 CIUSMJHWPLYHNB-UHFFFAOYSA-N 489.553 4.708 50 10 JJGE CCOc1cc(C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCC(C)C 2314620169 LGIPTVVLXLWKBM-UHFFFAOYSA-N 488.584 4.964 50 10 JJGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C(C)(C)C)cc2)c(OCC)c1 2314736040 QBUFAAZWXSWGPW-UHFFFAOYSA-N 451.519 4.837 50 10 JJGE O=S1(=O)CCC[C@@H]1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2335372023 RTYYJOQRFOYNID-XCBNKYQSSA-N 454.970 4.908 50 10 JJGE CC(C)(C)N1C[C@@H](Br)[C@@H](Cc2cc(I)ccc2Cl)C1 2352416655 XRXHLMOBKIQPSY-WCQYABFASA-N 456.593 4.981 50 10 JJGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362233748 AOIGRBSZPWHMCH-AYFZAPKBSA-N 466.981 4.575 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2ccccc2I)c2ccccc21 2670686 RECFZLDNKHJHRC-NTCAYCPXSA-N 466.282 4.705 50 10 JJGE CCOP(=O)(OCC)O[C@H](Br)C(Br)(Br)Br 3599193 XSDXJVWICNJMGI-YFKPBYRVSA-N 497.740 4.744 50 10 JJGE C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 14665770 UBODTIMFWXIXFC-MRXNPFEDSA-N 499.405 4.894 50 10 JJGE COc1ccc(OC)c(/C=N/NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)c1Br 20551650 DENWLOXGYJZKQS-HUKSPDATSA-N 450.160 4.508 50 10 JJGE CCOc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3nc(O)c4ccccc4n3)cc2OC)cc1 34988301 NRWRGMGCGZDCFS-XMHGGMMESA-N 496.523 4.824 50 10 JJGE COc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1)CC3 39881716 LALVCXGCYSEXCZ-UHFFFAOYSA-N 472.932 4.666 50 10 JJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)C1=O 214295062 DYFQJLHGTYZDKV-ULJHMMPZSA-N 466.541 4.558 50 10 JJGE N#C/C(=C/N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)Nc1ccccc1Sc1ccccc1 217243967 GYGSLSQXVZWTTI-QOCHGBHMSA-N 498.608 4.730 50 10 JJGE O=S(=O)(c1ccc(Cl)c(Br)c1)N(CCBr)Cc1ccccc1 309669353 DPLKWPOELZLPRL-UHFFFAOYSA-N 467.610 4.688 50 10 JJGE Fc1ccc([C@H](Br)c2cc(I)cc3c2OCC3)c(F)c1 312249055 BYAOIKBICKSGFG-AWEZNQCLSA-N 451.048 4.989 50 10 JJGE Brc1cc([C@H]2CCC[C@@H](CI)O2)cc2c1OCCCO2 394248602 SHZVUISELLOXCA-WCQYABFASA-N 453.114 4.656 50 10 JJGE C[C@@H](Br)[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1I 688775302 CQGDJRGEBVSDMC-NOZJJQNGSA-N 456.549 4.723 50 10 JJGE C[C@@H]1CCN(C(=O)c2scc(Br)c2Br)C[C@@H]1CBr 705446948 DKIJJKGHNVEOQX-SFYZADRCSA-N 460.029 4.766 50 10 JJGE CCn1cc([C@H](Cl)c2cc(I)cc3c2OCC3)nc1Br 710751224 GNIQSHFGTRDWOA-GFCCVEGCSA-N 467.532 4.533 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1[C@H]2CC[C@H]1CC(CBr)C2 719301241 QEQHTTPFFYEIQU-KBPBESRZSA-N 466.011 4.990 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CCS[C@H](CCBr)C1 720041270 PJPZVCCJAANNCA-SNVBAGLBSA-N 472.040 4.554 50 10 JJGE O=C(COc1ccc(Br)cc1Br)NN=Cc1c(O)ccc2ccccc12 1084480582 PBJMPYIJYXPWJF-UHFFFAOYSA-N 478.140 4.600 50 10 JJGE COc1cc(C=NNC(=O)c2cccc3ccccc23)ccc1OCc1cccc(C(=O)O)c1 1084605076 LXLPTNREOPYGNU-UHFFFAOYSA-N 454.482 4.890 50 10 JJGE C/C(=C/C(=O)NNC(=O)[C@@H](C)Oc1c(C)cc(Cl)cc1C)c1ccc(C(F)(F)F)cc1 1463544177 FJRXEVASXCHRMO-QYMJWVLRSA-N 454.876 4.994 50 10 JJGE COc1cc(C=NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc(Br)c1O 1772756136 ZJAYRMHWNBEUDA-HNNXBMFYSA-N 469.335 4.748 50 10 JJGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(OCC)c1)C(C#N)=C(N)O2 1865681752 VYLNZKPVEGCABB-JOCHJYFZSA-N 464.953 4.860 50 10 JJGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681821 XTMABTKNDBHCOV-QFIPXVFZSA-N 486.915 4.831 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1OC 1865695556 PXEQXEULYSQWQL-LJQANCHMSA-N 488.441 4.715 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc(Cl)c1O 1865707494 XZKTYNXQXIYJAJ-FQEVSTJZSA-N 471.904 4.520 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(NS(C)(=O)=O)cc3)n2)cc1Cl 1872757840 YKAVCQREODVJHM-CYVLTUHYSA-N 461.952 4.793 50 10 JJGE O=C(N[C@H]1C[C@@H]([C@H](F)CBr)C1)c1csc(Br)c1Br 2078361932 GTTPWCYGGFAGJY-GKROBHDKSA-N 463.992 4.515 50 10 JJGE O=C(N[C@H]1CCC[C@@H]1CCBr)c1c(Br)cccc1Br 2094099273 KGNSVMVVZUMIKO-SKDRFNHKSA-N 454.000 4.895 50 10 JJGE C[C@H]1C[C@@H](CCl)CCN1C(=O)c1cc(I)ccc1Br 2115838045 WMFYNROUKZGKBS-UWVGGRQHSA-N 456.549 4.533 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 2150957385 DFQCHMJQOQYMPE-SDDRHHMPSA-N 468.560 4.580 50 10 JJGE CC[C@H](Br)CN(c1ncc(C(F)(F)F)cc1I)C1CC1 2163669773 OYMRQXRLFOJCQA-VIFPVBQESA-N 463.079 4.847 50 10 JJGE Brc1cccc([C@H](CI)OCCCN2CCCCC2)c1 2175870594 RGUOTDLOKYYDBG-INIZCTEOSA-N 452.174 4.818 50 10 JJGE Cc1cc(Br)c([C@@H](Br)[C@H]2C[C@H](S(C)(=O)=O)C2)cc1Br 2269767528 ITLFDFYPUAEIAA-RVBZMBCESA-N 475.040 4.779 50 10 JJGE COc1ccccc1-n1c(C)cc(C=C(C#N)C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1C 2297335493 OQLZAMQRPBDMAF-UHFFFAOYSA-N 489.484 4.528 50 10 JJGE O=S1(=O)CC[C@@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2299529424 BKLUDEZASCDWJY-KDOFPFPSSA-N 474.214 4.899 50 10 JJGE N#CC(=Cc1ccc(-c2cccc(Br)c2)o1)C(=O)N1CCN(c2ccccc2)CC1 2313568168 SLSJYSYKEBHNCX-UHFFFAOYSA-N 462.347 4.965 50 10 JJGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)Nc1ccccc1C 2314534165 ZYGMCJPOLRICBW-UHFFFAOYSA-N 466.497 4.658 50 10 JJGE COc1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)c(F)c1 2338722231 KWXFFRVLMZKOFB-SECBINFHSA-N 456.935 4.577 50 10 JJGE CC(C)[C@@H](Cl)C(C)(C)NC(=O)c1ccc(I)c(Br)c1 2340527358 HFEHHAPEHJKCKO-GFCCVEGCSA-N 458.565 4.826 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2CC[C@H]1[C@H](Br)C2 2349961798 WMJAQDMNNANLMF-CKLFPEKLSA-N 451.984 4.600 50 10 JJGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)c1cccc(OCCc2ccccc2)c1 10331658 PGIMOLQECNNJNT-UHFFFAOYSA-N 466.537 4.815 50 10 JJGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 13980493 GFPYMCVIADBTSI-GOSISDBHSA-N 461.587 4.582 50 10 JJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([C@@H](C)CC)cc2)cc1 14029182 KWUJXGRPEFIRRZ-IBGZPJMESA-N 485.650 4.874 50 10 JJGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1cc(C)c(Cl)c(C)c1 14032957 WMXMHBXJLLIKOL-UHFFFAOYSA-N 492.041 4.630 50 10 JJGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1O 40924307 DADCAJJPFKRWTJ-ZVBGSRNCSA-N 478.393 4.529 50 10 JJGE C/C(=N/NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)c1ccc(Br)s1 59664179 VVNNZUBYBXEUOL-NPLDLRHZSA-N 492.439 4.833 50 10 JJGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)C1=O 101334337 CATTZHPFHBXEKX-DMGPTTAYSA-N 481.512 4.838 50 10 JJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C1=O 214295374 VSDKHDHOVGMCIN-UQQQWYQISA-N 496.567 4.567 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H](Cl)C1)c1cc(Br)ccc1I 227733752 HLUXGOVUZZROOH-MWLCHTKSSA-N 456.549 4.581 50 10 JJGE Cc1ccc(CN(CC(=O)NN=Cc2cccc3ccccc23)S(=O)(=O)c2ccc(C)cc2)cc1 252610253 HZQVNSDDYXGWTL-UHFFFAOYSA-N 485.609 4.798 50 10 JJGE CCCCOc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1 254735111 UQEJRQRRDAQAIP-UHFFFAOYSA-N 476.529 4.622 50 10 JJGE CCOc1ccc(C=NNC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)cc1 1084066215 PMEWZMBKHLFWDN-UHFFFAOYSA-N 486.601 4.521 50 10 JJGE CS(=O)(=O)N(CC(=O)NN=Cc1cccc(Oc2ccccc2)c1)c1ccc2c3c(cccc13)CC2 1084644477 ZSXCFCRSKVUIIS-UHFFFAOYSA-N 499.592 4.647 50 10 JJGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CCl)cc1 1211732195 ZZVJJMCQMNKOGX-UHFFFAOYSA-N 453.004 4.531 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1 1865713149 RUNOIUFPQCVAEI-QHCPKHFHSA-N 450.498 4.775 50 10 JJGE CCC[C@@H](NC(=O)Cc1nc(-c2cccc(C)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866650117 GQXWQJCIIGOUBV-OAQYLSRUSA-N 462.575 4.998 50 10 JJGE COc1cccc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1OCc1ccccc1Cl 1873794914 IRZBCLIATPTEIF-IYAOEYEUSA-N 487.984 4.777 50 10 JJGE O=C(NN(Cc1ccccc1)Cc1ccccc1)c1ccc(F)cc1I 1923850536 NUWUHSXMZZKMNK-UHFFFAOYSA-N 460.290 4.778 50 10 JJGE CN(c1ncc(I)cc1Br)[C@@H](CBr)C(C)(C)C 2015762039 GEAZQRZHPXHKIE-JTQLQIEISA-N 475.994 4.695 50 10 JJGE O=C(c1cccc(Br)c1Br)N(CCBr)C1CCCC1 2092339983 KYCZITNYKZWLAM-UHFFFAOYSA-N 454.000 4.991 50 10 JJGE O=C(N[C@@H]1CCC[C@@H]1CCBr)c1c(Br)cccc1Br 2094099267 KGNSVMVVZUMIKO-BXKDBHETSA-N 454.000 4.895 50 10 JJGE CC1(C)[C@H](CBr)CCN1C(=O)c1cc(Br)ccc1Br 2095212888 NXJBILJZABAMCK-VIFPVBQESA-N 454.000 4.847 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1[C@H](CBr)[C@H]2CC[C@@H]1C2 2122172918 JZYMJCUAUPEHGC-ZEGGKSINSA-N 451.984 4.600 50 10 JJGE Cc1cc(Br)c(C)c([C@H](Br)C2(S(C)(=O)=O)CC2)c1Br 2136376838 JNGUWVNVFRTHDA-LBPRGKRZSA-N 475.040 4.842 50 10 JJGE C[C@@H]1[C@H](C(F)(F)F)N(Cc2ccc(CBr)cc2)CCN1C(=O)OC(C)(C)C 2182844569 FXINNTNLUYUXQB-CZUORRHYSA-N 451.327 4.954 50 10 JJGE C[C@H](c1cscc1Br)N(C)S(=O)(=O)c1ccsc1CBr 2186581732 SJJAVHMCTGEEFH-MRVPVSSYSA-N 459.250 4.849 50 10 JJGE Brc1cnc(N2CCOC3(CCC(Br)CC3)C2)c(Br)c1 2190034964 PWQJXNZVYLWBDD-UHFFFAOYSA-N 469.015 4.520 50 10 JJGE O=C(c1cccc(Br)c1Br)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Br)C2 2190687060 YQGALZULWJPUOL-RINBACNTSA-N 469.974 4.690 50 10 JJGE C[C@](CI)(OC[C@@H]1C[C@@]12CCOC2)c1ccccc1Br 2198370560 QGNXDZYHNLWGDS-APHBMKBZSA-N 451.142 4.543 50 10 JJGE CN(C(=O)c1ccc(I)c(Br)c1)[C@H](CCl)CC1CC1 2226150523 HSLNRTJYROSQDL-NSHDSACASA-N 456.549 4.533 50 10 JJGE C[C@H]1[C@H](Br)C[C@@H](C)CN1C(=O)c1c(Br)cccc1Br 2227598473 IDJPCFZALKNYHL-VDDIYKPWSA-N 454.000 4.846 50 10 JJGE C[C@H]1[C@H](Cl)C[C@@H](C)CN1C(=O)c1cc(Br)ccc1I 2227619364 MRLHYEQUOLQONL-VDDIYKPWSA-N 456.549 4.532 50 10 JJGE Cc1ccc(I)c(C(=O)N[C@@H](CBr)c2cccs2)c1 2232163117 CAOLPMQGDQDMHT-LBPRGKRZSA-N 450.139 4.527 50 10 JJGE O=S(=O)(c1cc(CCl)sc1Br)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2234726381 UKCNRXDFJFKULC-IYBDPMFKSA-N 489.888 4.677 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)NC1(CBr)CCCC1 2277933008 NDQSKPNNUCHLMC-UHFFFAOYSA-N 454.000 4.578 50 10 JJGE O=C(NC[C@@]1(CBr)C[C@H]1C(F)(F)F)c1scc(Br)c1Cl 2279175605 LIYMPXDTFOYHEF-LDWIPMOCSA-N 455.521 4.857 50 10 JJGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1ccc(Cl)c(I)c1 2283668744 MDUMZUURHDHAPM-GWCFXTLKSA-N 470.576 4.969 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OC 2313518114 KDMNJTIABHJCGE-UHFFFAOYSA-N 476.314 4.861 50 10 JJGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)NC)cc1 2314593389 MFPYMNCPFMAFOI-IBGZPJMESA-N 476.385 4.564 50 10 JJGE Clc1cc(I)c([C@@H](Br)[C@@H]2CCn3ccnc3C2)s1 2316605005 DRAMDGSTXAKINW-HQJQHLMTSA-N 457.562 4.901 50 10 JJGE CCN(CC)c1ccc(C=NNC(=O)c2cccn(Cc3ccc(C(C)(C)C)cc3)c2=O)cc1 2323662153 BJMQBLKYMLRQHV-UHFFFAOYSA-N 458.606 4.804 50 10 JJGE FC1(F)C[C@@]1(CBr)COCc1ccc(Cl)cc1I 2326817480 JYZFOWZURKOLSP-LLVKDONJSA-N 451.476 4.882 50 10 JJGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)c([N+](=O)[O-])cc1OC 2331413921 VUTNCMQLEHGTKC-UHFFFAOYSA-N 499.501 4.711 50 10 JJGE O=S1(=O)CCC[C@H]1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2337093717 HVDQRLRYBUXYEY-XVKPBYJWSA-N 454.970 4.861 50 10 JJGE Cc1ccc(-c2nnc(SCC(=O)NNC(=O)c3ccc(F)cc3)n2-c2ccc(Cl)cc2)cc1 21397172 IOWYYMAOTZDTOP-UHFFFAOYSA-N 495.967 4.589 50 10 JJGE COc1cc(/C=C(/C#N)c2ccccc2OC)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 31902010 AYPVLNOHXXXTBV-MFOYZWKCSA-N 475.413 4.804 50 10 JJGE COC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)cc2)c(OC)c1 33378240 OWQQSNDXDZQODP-UOAZCNQQSA-N 469.493 4.973 50 10 JJGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccc(Cl)cc4Cl)c(=O)c23)C1 35582967 YQDRQYSOTGZIKS-PWNZSMLCSA-N 463.390 4.601 50 10 JJGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)c(OC)c1 98028216 MOTQGBWEMMUMOR-ATVHPVEESA-N 489.355 4.976 50 10 JJGE COc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 101336801 CPMBWBPFVLUGCF-LPYMAVHISA-N 454.482 4.660 50 10 JJGE COc1cc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc(Br)c1OC 169890163 KLCOTKPOHJUZCY-MSXFZWOLSA-N 456.340 4.590 50 10 JJGE COc1ccccc1N1CCN(/C=C(/C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 217211651 CJXSKVBPQSFDNT-MRCUWXFGSA-N 454.530 4.656 50 10 JJGE CCC[C@H](CCBr)CNC(=O)c1ccc(I)c(Cl)c1 227499110 VAOXSMNSWBIDRM-SNVBAGLBSA-N 458.565 4.876 50 10 JJGE O=C(NCC1(CBr)CCCC1)c1cc(Br)sc1Br 232471608 BCBXJKMFLBSBCE-UHFFFAOYSA-N 460.029 4.958 50 10 JJGE O=C(c1ccc(F)cc1I)N(CCBr)C1CCCCC1 236256064 TXGCXIRYSNLDEG-UHFFFAOYSA-N 454.121 4.600 50 10 JJGE O=C(NN=Cc1cc(Cl)ccc1OCc1ccc(Br)cc1)c1cc(O)cc(O)c1 254347269 GXENRDFMYZURNG-UHFFFAOYSA-N 475.726 4.857 50 10 JJGE O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)NN=C/C=C\c1ccccc1 254396847 YVTYIMWIWNKJFZ-HYKSJVDDSA-N 484.541 4.750 50 10 JJGE CC(=NNC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)c1ccc(Br)s1 254617531 VVNNZUBYBXEUOL-HUUCEWRRSA-N 492.439 4.833 50 10 JJGE CCOc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc(O)cc3)nnc2-c2ccccc2)cc1 254842491 LQKDMAMGWTZGKZ-UHFFFAOYSA-N 487.585 4.671 50 10 JJGE COc1cccc(C(C)=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1 254843559 APZQOLAEIZTXMA-UHFFFAOYSA-N 457.559 4.575 50 10 JJGE CCOc1ccc(Br)cc1[C@H](Cl)c1cnn(C)c1I 393643382 CXRKEDUFPGPJPB-LBPRGKRZSA-N 455.521 4.514 50 10 JJGE C[C@H]1C[C@H](CBr)CN(C(=O)c2cc(Br)sc2Br)C1 398699712 SOROHUJDIKGJQQ-JGVFFNPUSA-N 460.029 4.766 50 10 JJGE COc1cc(C=NNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1ccccc1 1084297500 PDQINLAMWVOUII-UHFFFAOYSA-N 472.328 4.670 50 10 JJGE COc1ccc(C=NNC(=O)COc2ccc(Br)cc2Br)c2ccccc12 1084299004 JZPOBYINAVXYFA-UHFFFAOYSA-N 492.167 4.903 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)ccc1O 1865681750 VVZRBGZFKDRERU-KRWDZBQOSA-N 476.842 4.867 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)cc1OC 1865695129 KOUBDUDXZAEGFF-QFIPXVFZSA-N 464.953 4.773 50 10 JJGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1C(=O)O)C(C#N)=C(N)O2 1865704058 LSQQPMSPXFAFCG-IBGZPJMESA-N 469.328 4.717 50 10 JJGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2C(=O)O)cc1 1865704247 RCOWAVOBBMDJFY-QHCPKHFHSA-N 462.509 4.823 50 10 JJGE CC[C@H](NC(=O)Cc1nc(-c2cccc(Cl)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866666177 VIOMWECJSADNJI-IBGZPJMESA-N 468.966 4.953 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@]2(CCC[C@H]2Cl)C1 1918933488 GVKUFUZGLNFWIC-UKRRQHHQSA-N 468.560 4.677 50 10 JJGE Oc1nc2cc([C@H](Br)c3csnc3Br)c(Br)cc2[nH]1 1925250843 PBPDFBAMKAXBOP-VIFPVBQESA-N 467.968 4.734 50 10 JJGE CC(CBr)(CBr)NC(=O)c1csc(Br)c1Br 1937738495 SKSRXBDOXWWOIM-UHFFFAOYSA-N 498.860 4.551 50 10 JJGE CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CBr)c1 1984686914 KTPUKGJFUGPLNV-UHFFFAOYSA-N 461.219 4.945 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC1CC2(CCCN(C(=O)OC(C)(C)C)C2)C1 2013356050 XSJDFEHARBNRPK-UHFFFAOYSA-N 475.721 4.662 50 10 JJGE CC[C@@H](C)[C@@H](Br)CNC(=O)c1cc(Br)ccc1I 2029977534 MVOXQVHKGKDTKU-KCJUWKMLSA-N 488.989 4.593 50 10 JJGE Cc1c(Br)sc([C@H](Br)C2(S(C)(=O)=O)CCC2)c1Br 2047871373 DYALLIHYHHVEKO-VIFPVBQESA-N 481.069 4.985 50 10 JJGE O=C(NCC1(F)CC(CBr)C1)c1csc(Br)c1Br 2049522588 SOIZEXMITOECJQ-UHFFFAOYSA-N 463.992 4.516 50 10 JJGE C[C@H](Br)C[C@@H]1CCCCN1c1ncc(I)cc1Br 2069525541 KCENZPJPBWQAIG-ONGXEEELSA-N 488.005 4.981 50 10 JJGE C[C@@H](Br)[C@@H](NC(=O)c1scc(Br)c1Br)C(F)(F)F 2074718037 XHPPTEAKLNWBAI-WVBDSBKLSA-N 473.934 4.717 50 10 JJGE CC[C@@H](C)[C@@H](CBr)NC(=O)c1cc(I)ccc1Br 2081241932 JFCLACMXWGDMMQ-PRHODGIISA-N 488.989 4.593 50 10 JJGE O=C(c1scc(Br)c1Br)N1CC[C@H](Br)C(F)(F)CC1 2093622914 CCSVREMXUJFLKO-ZETCQYMHSA-N 481.982 4.908 50 10 JJGE CC(C)(C)N1C[C@H](Cc2cc(Cl)ccc2I)[C@@H](Br)C1 2100724477 WNCRHOVKYXXDJQ-AAEUAGOBSA-N 456.593 4.981 50 10 JJGE ClCCc1nc2cc(I)ccc2n1CC1(Br)CCC1 2111900196 HZBWEIPSXQXTEG-UHFFFAOYSA-N 453.549 4.740 50 10 JJGE CN(C(=O)c1cc(Br)ccc1Br)C1(CBr)CCSCC1 2171181280 CQIWGGPSTNQWIW-UHFFFAOYSA-N 486.067 4.944 50 10 JJGE CC(C)(C)[C@@H]1[C@H](Cl)CCN1C(=O)c1ccc(I)c(Br)c1 2185110216 YLWJXKLQNJGDGN-YPMHNXCESA-N 470.576 4.922 50 10 JJGE C[C@H](CBr)CC1CN(C(=O)c2cc(Br)sc2Br)C1 2222966789 NVIIEZLLRCSALN-ZETCQYMHSA-N 460.029 4.766 50 10 JJGE CCC(CC)N(CCBr)C(=O)c1ccc(Cl)c(I)c1 2268360077 ZGCBXKLRFWTPNL-UHFFFAOYSA-N 458.565 4.970 50 10 JJGE C[C@@](CI)(OC1(C2CCC2)COC1)c1ccccc1Br 2288566040 HWIZRIVASCWCQE-HNNXBMFYSA-N 451.142 4.685 50 10 JJGE CC[C@@H](Br)CN(C(=O)Cc1cc(Br)cc(Br)c1)C1CC1 2295309847 OLDHTZPHPCMAFF-LLVKDONJSA-N 468.027 4.919 50 10 JJGE CC(C=Cc1ccccc1)=NNC(=O)CNc1ccc(Br)cc1Br 2296735004 YRFBLUCXNWZYHM-UHFFFAOYSA-N 451.162 4.829 50 10 JJGE COc1ccc(-c2ccc(C(=O)NNC(=O)C=Cc3ccc(Cl)cc3Cl)c(C)n2)cc1OC 2321169190 NVNKYSGPTILQAR-UHFFFAOYSA-N 486.355 4.855 50 10 JJGE CCOc1ccc(C)cc1[C@H](C)NC(=O)C(C#N)=CNCCc1cccc(Br)c1 2325079084 GHQJITFDYFZRAI-KRWDZBQOSA-N 456.384 4.573 50 10 JJGE C[C@@H]1C[C@H](Br)[C@@H](C)N(C(=O)c2ccc(Cl)cc2I)C1 2340060300 ASRAOVGRKJUTHX-LNLATYFQSA-N 456.549 4.579 50 10 JJGE CC(C)[C@H](Br)C(C)(C)CN(C)C(=O)c1sccc1I 2340349669 JVYIWMSCUBRORF-LBPRGKRZSA-N 458.203 4.870 50 10 JJGE CC1(C)CC(CBr)(CN=[S@](C)(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 2345005237 WAIHTWWYEVEZKT-AREMUKBSSA-N 451.471 4.685 50 10 JJGE ClC[C@]12CCC[C@@H]1CN(Cc1ccc(I)c(Br)c1)C2 2349849648 BZOOUQABUFFKHD-DOMZBBRYSA-N 454.577 4.895 50 10 JJGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cccc(OCCOc2ccccc2)c1 14040954 ATZCWPJFQRCCIH-FQEVSTJZSA-N 470.525 4.526 50 10 JJGE CC(C)COc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCC(C)C)cc1 14667035 XBMAXCIGCPGGES-UHFFFAOYSA-N 463.372 4.594 50 10 JJGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc([N+](=O)[O-])c1O 59305217 ZFSUFZNRCUEFRU-JVWAILMASA-N 470.485 4.839 50 10 JJGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2)C1=O 101332706 GIBIACUCTWMENZ-LFVJCYFKSA-N 466.541 4.940 50 10 JJGE COc1cc(OC)c([C@@H](Br)c2ccccc2I)c(OC)c1 109849199 WUOPOICJWDCYCW-INIZCTEOSA-N 463.109 4.801 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CCC[C@@H](CCBr)C1 125104785 IFUPODJHMLGXTJ-QMMMGPOBSA-N 460.029 4.910 50 10 JJGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2OC)cc1 205648774 AJSDQXYGDJUXBW-LPVHOTHKSA-N 484.508 4.549 50 10 JJGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2)cc1OC 207091471 YBJHCEFNBCCLMQ-ZFAUZWLFSA-N 492.572 4.553 50 10 JJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(C)cc3OC)cc2Cl)cc1 252607382 HBVIEIVIOSXYRB-UHFFFAOYSA-N 452.894 4.649 50 10 JJGE COc1ccc(C=NNC(=O)COc2ccc3ccccc3c2)cc1COc1ccc(C#N)cc1 252613708 JCZFWXFZZHWJAR-UHFFFAOYSA-N 465.509 4.828 50 10 JJGE CC1(C)CN(C(=O)c2cc(Cl)ccc2I)CC[C@@H]1Br 311984931 MPDKVDIJOZQFEY-LBPRGKRZSA-N 456.549 4.580 50 10 JJGE C[C@]1(CI)CC[C@@H](c2cc(Br)c3c(c2)OCCCO3)O1 312967097 UWPJTTREMYELRT-SWLSCSKDSA-N 453.114 4.656 50 10 JJGE C[C@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@@]1(C)CBr 694700379 NFSXJVSSEDXUNG-LKFCYVNXSA-N 454.000 4.705 50 10 JJGE CC1(C)C[C@H](Br)C[C@@H](NC(=O)c2cccc(F)c2I)C1 721695640 AMJFSEUAHBZNGV-NXEZZACHSA-N 454.121 4.502 50 10 JJGE Cc1[nH]c2ccccc2c1C(=O)COC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 761399455 UQMLJJHYKAACKP-ZHZULCJRSA-N 463.497 4.587 50 10 JJGE CC(=O)c1cccc(NC(=O)COC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)c1 786605189 FGDXPVULQNFIPL-MTJSOVHGSA-N 459.477 4.525 50 10 JJGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1ccc(O)cc1 1084480661 SHHKSPWAGLEEKY-UHFFFAOYSA-N 485.613 4.781 50 10 JJGE CC(C)(C)c1ccc(OCCCC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)c(Br)c1 1772755771 RMDJSBLPPOKIBY-UHFFFAOYSA-N 462.344 4.964 50 10 JJGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2CC(C)C 1865693431 OGNKXBMOBAKKNA-MRXNPFEDSA-N 450.461 4.573 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865705962 KTDAHCBJLGTEMI-DEOSSOPVSA-N 498.514 4.678 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706578 ZTBRXQGKSSEMGV-DEOSSOPVSA-N 498.514 4.678 50 10 JJGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 1865708781 FXPMLEFXWZLPMT-OAQYLSRUSA-N 462.937 4.542 50 10 JJGE O=C(NCC[C@H]1CCC[C@H]1Br)c1scc(Br)c1Br 1913750938 GZGFXMBSUNPALS-HTQZYQBOSA-N 460.029 4.957 50 10 JJGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1ccc(Br)cc1F 1916390599 ZEFRHEIDJVBMIX-HNNXBMFYSA-N 459.153 4.641 50 10 JJGE O=S1(=O)CCC[C@@H]([C@@H](Br)c2cc(Br)sc2Br)C1 1942228930 VSJKTBIGORLQPA-HZGVNTEJSA-N 467.042 4.534 50 10 JJGE CC(C)(C)OC(=O)N1CCN(C[C@H](CBr)C2CCC2)CCN1C(=O)OC(C)(C)C 1959577173 YKVPEDFGNMFUKW-KRWDZBQOSA-N 476.456 4.502 50 10 JJGE BrCC[C@H]1CSCCN1Cc1cccc(Br)c1Br 2031478233 QFENIARCGZNQJH-NSHDSACASA-N 458.057 4.914 50 10 JJGE C[C@@H]1CC[C@@](CBr)(NC(=O)c2cc(Br)c(Br)s2)C1 2074214166 WEDDXPXVBGHBKX-JMCQJSRRSA-N 460.029 4.957 50 10 JJGE O=C1Cc2cc([C@H](Br)c3sncc3Br)c(Br)cc2N1 2088926714 AVWDXYWXYWNWDE-NSHDSACASA-N 466.980 4.647 50 10 JJGE O=C(NCC1(CBr)CCCC1)c1c(Br)cccc1Br 2094088209 IORVDKHKRDUVKB-UHFFFAOYSA-N 454.000 4.897 50 10 JJGE CCn1ncc(Br)c1[C@H](Br)c1ccc(OC)cc1Br 2094271847 RYAMYVMMMUWBMV-GFCCVEGCSA-N 452.972 4.921 50 10 JJGE Fc1cc2c(cc1I)nc(CCl)n2[C@@]12C[C@H]1CN(Cc1ccccc1)C2 2099679974 WGXSEDPSMRTPAE-VBKZILBWSA-N 481.740 4.750 50 10 JJGE C[C@H]1C[C@H](Br)CCN(C(=O)c2ccc(Br)cc2Br)C1 2103287650 QCOHGAIHSIZTIR-GXSJLCMTSA-N 454.000 4.847 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CCC2(CC1)C[C@@H]2CBr 2148910006 NRHTXCQPYRUSRD-LLVKDONJSA-N 468.560 4.582 50 10 JJGE Cc1cccc(C(=O)N[C@]2(CBr)CCCC2(C)C)c1I 2150546647 UPYWKCVDNIIPEQ-INIZCTEOSA-N 450.158 4.673 50 10 JJGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CO[C@H]3COC[C@@H]23)c1Br 2201072293 LXXSFUIPUDKADW-NPZRNVLXSA-N 469.011 4.926 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@H](Br)[C@@H]2CC[C@@H]21 2295314065 SRISVCVIQMOKFN-IHRRRGAJSA-N 466.011 4.529 50 10 JJGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 2296719391 LDPDZZUEUNURSZ-UHFFFAOYSA-N 450.498 4.958 50 10 JJGE C[C@@H](C(=O)Oc1cccc(C=C(C#N)c2cccc(Cl)c2)c1)N1C(=O)c2ccccc2C1=O 2320506917 UQDTWILFDPPQQR-INIZCTEOSA-N 456.885 4.994 50 10 JJGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)CNC(=O)c3ccccc3)n2)cc1Cl 2331381138 NKOUGNSCAKUICO-UHFFFAOYSA-N 455.923 4.703 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c(OC)c1 2331385820 LARJJVGBTNIPCK-JOCHJYFZSA-N 489.553 4.941 50 10 JJGE FC(F)(CBr)C(F)(F)CNCc1cccc(Br)c1Br 2336536979 RDOQJVQNTQRLTA-UHFFFAOYSA-N 471.912 4.967 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2CC[C@H]1[C@@H](Br)C2 2349961799 WMJAQDMNNANLMF-HJIKLVIJSA-N 451.984 4.600 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1[C@H]2CCC[C@H]2C[C@@H]1CBr 2354694400 SIHUUGUANRHXKT-FZZIBODNSA-N 466.011 4.990 50 10 JJGE C[C@]12C[C@H](C1)[C@H](CO[C@@H](CI)c1ccc(Br)cc1)CO2 2366743743 GVYMCKKJKVUMGJ-VDERGJSUSA-N 451.142 4.757 50 10 JJGE CN(Cc1c(Br)c(Br)nn1C)CC1(CBr)CC(C)(C)C1 2371156044 SOFIGWXOGAGGHB-UHFFFAOYSA-N 472.063 4.578 50 10 JJGE CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc1 12583620 JFLVRBGXXOJGRY-WSDLNYQXSA-N 483.204 4.587 50 10 JJGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccccc1F 58888173 RXTKKQFFUOMPOQ-TYNJROEQSA-N 450.510 4.767 50 10 JJGE COc1ccc(C(=O)N/N=C/c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)cc1OC 59383740 PDBIBDAGUGTUMS-SSDVNMTOSA-N 484.515 4.730 50 10 JJGE COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)N[C@H]3CCCC[C@@H]3C)cc2OC)cc1OC 97990523 NEMJSBGQVPHWRB-KUTDZNSHSA-N 478.545 4.533 50 10 JJGE CC(C)n1ncnc1CC(CBr)(CBr)c1ccccc1Br 118879008 LKIMPMVMABNVBN-UHFFFAOYSA-N 480.042 4.892 50 10 JJGE O=C(NC1(CCl)CCCCC1)c1cc(Br)ccc1I 236018174 RNTDAAUUBWCXGM-UHFFFAOYSA-N 456.549 4.725 50 10 JJGE O=C(NN=Cc1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1)c1ccccc1O 252622450 NVPLYNCLRLYISM-UHFFFAOYSA-N 475.346 4.830 50 10 JJGE O=S(=O)(Nc1cccc(CCBr)c1)c1cc(Cl)c(Br)s1 313167092 USOZWRRATKITSH-UHFFFAOYSA-N 459.612 4.902 50 10 JJGE CC1(C)C[C@H](Br)CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 395302073 AUSFKZUJHMXMRH-MRVPVSSYSA-N 465.660 4.738 50 10 JJGE Cc1ccc(N(CC(=O)NN=Cc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 725388256 GNDIJYHAMNHFCB-UHFFFAOYSA-N 476.385 4.647 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)c(-c2ccccc2)n1 726567730 HYFLDMPNAVDXJE-NFGOQBBXSA-N 486.373 4.806 50 10 JJGE COc1ccc(C)cc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2cccc(Cl)c2Cl)c1C 1084389363 DUWOTAAMDOVDPP-UHFFFAOYSA-N 473.360 4.807 50 10 JJGE COCc1cc(C)nc(OCC(=O)NN=Cc2cccc(OCc3cccc4ccccc34)c2)c1C#N 1084389976 HOCDPBCCKYPWDJ-UHFFFAOYSA-N 494.551 4.669 50 10 JJGE CC(=NNC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccc(O)cc1 1084491131 OMPGKBXZXRPKOB-UHFFFAOYSA-N 492.167 4.990 50 10 JJGE CC1=C(C(=O)NN=Cc2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 1084601909 QGDGUETZQVWNFK-QGZVFWFLSA-N 453.782 4.590 50 10 JJGE CC(=O)N1CCCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3F)c2C)c2ccccc21 1360898835 ASVKRFTVIONOIE-CJLVFECKSA-N 456.521 4.930 50 10 JJGE C=C[C@@](C)(CCOC)C(=O)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1 1624238156 HKWQMAFENQJHKR-NDEPHWFRSA-N 458.558 4.922 50 10 JJGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccncc2)CCC3)cc(C)c1Cl 1772746687 YPDSOCBWIBKWGI-UHFFFAOYSA-N 451.910 4.943 50 10 JJGE COc1ccc(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)cc1 1858840606 PUAYMRJHGFUSTI-HNNXBMFYSA-N 463.519 4.713 50 10 JJGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865707167 PPPDURRLOXPGCX-OAQYLSRUSA-N 450.926 4.714 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)c(OC)c1 1865708246 RJOVFDQMKRVMAX-DEOSSOPVSA-N 464.525 4.834 50 10 JJGE C[C@@H](C(=O)Nc1nnc(CCl)s1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865884664 WEPDPIXAMFSQMU-VKHMYHEASA-N 488.567 4.514 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3)n2)cc1OC 1872745418 MGBUIBGIMDPQDV-VLGSPTGOSA-N 455.923 4.703 50 10 JJGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)CC1=O 1873921104 VFKOGTCPZLHWTR-WGCOJADFSA-N 489.553 4.760 50 10 JJGE Clc1cc(I)c([C@H]2CC[C@@H](CI)O2)s1 1889652956 YRWKKQVMNOZGMT-CAHLUQPWSA-N 454.498 4.661 50 10 JJGE O=C(N[C@@H](CBr)CC1CCCC1)c1ccc(F)cc1I 1926726502 DJXNTMFKCYMWJS-GFCCVEGCSA-N 454.121 4.504 50 10 JJGE CN(CCN(Cc1ccccc1)S(=O)(=O)C1CCC(CBr)CC1)Cc1ccccc1 1984639080 XEZCQVALMBHTLS-UHFFFAOYSA-N 493.511 4.904 50 10 JJGE CC1(CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)CC(F)(F)C1 2017229765 ZVWUHVPEHLVAJG-MRXNPFEDSA-N 459.315 4.643 50 10 JJGE COc1cc(-n2cnc(Cl)c2CBr)c(Br)cc1Br 2054929389 FJHFQKJMTDEMBE-UHFFFAOYSA-N 459.363 4.954 50 10 JJGE O=S(=O)(c1cc(CCl)ccc1Br)N(Cc1ccccc1)C[C@@H]1CCCO1 2095879907 SVWDUBPCONYEOH-KRWDZBQOSA-N 458.805 4.558 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@@H](CCCl)CC1 2149742521 LJJFCGFNHSIRTA-NSHDSACASA-N 470.576 4.925 50 10 JJGE CC(C)(C)OC(=O)N1CC[S@@](=O)(=NC[C@@H](CBr)c2ccccc2)C(C)(C)C1 2189324578 FWNNMANZYRLHHV-CRYYWNKWSA-N 459.450 4.662 50 10 JJGE C[C@@H](CBr)CC1CN(C(=O)c2cc(Br)c(Br)s2)C1 2222869884 ILQLQUKVWBSLEX-SSDOTTSWSA-N 460.029 4.766 50 10 JJGE C[C@H]1CCC[C@@](CI)(OCCOCCOCCOCc2ccccc2)C1 2227781467 XJEUDNSAQQSEJO-PZJWPPBQSA-N 476.395 4.637 50 10 JJGE CCN(C[C@@](C)(CI)OCCCCCCOC)C(=O)OC(C)(C)C 2249960371 CWETYPFCMXKATB-GOSISDBHSA-N 457.393 4.661 50 10 JJGE Cc1cc(C(=O)N(CCBr)CCC(C)(C)C)ccc1I 2289876518 OIOCPDQYPZASME-UHFFFAOYSA-N 452.174 4.873 50 10 JJGE C[C@H]1C[C@H](Br)[C@H](C)CN1C(=O)Cc1cc(Br)cc(Br)c1 2295309740 NEKVBIRKSKAPBV-BFVZDQMLSA-N 468.027 4.775 50 10 JJGE CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@@H]2CCCO2)cc1 2296702662 CZJFWVGFARWBJQ-SANMLTNESA-N 470.573 4.776 50 10 JJGE COc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc(OC)c1OC(C)=O 2296764786 UZUDLQQXWINJBT-UHFFFAOYSA-N 450.472 4.545 50 10 JJGE Cc1cccc(Br)c1C(=O)N[C@@H](CCBr)COCc1ccccc1 2303539997 QATLPYVMVYSLCL-INIZCTEOSA-N 455.190 4.858 50 10 JJGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C(C)=C(C#N)C1=O 2314618002 FQWWPPMTJFBRJE-UHFFFAOYSA-N 486.959 4.821 50 10 JJGE CCOc1cc(C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314619101 ZTJOGUJRDGVHIS-NRFANRHFSA-N 490.531 4.575 50 10 JJGE CC(C)[C@@H]1C[C@H](Br)CN1C(=O)c1ccc(Cl)cc1I 2344773251 ZTQXCZONJMRESD-ZANVPECISA-N 456.549 4.579 50 10 JJGE O=C(CN1CCOCC1)NN=Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 19890629 YMDPIZHATCSNGD-UHFFFAOYSA-N 491.202 4.662 50 10 JJGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1Br 38678576 RQUOYPGYSBAEGK-DEOSSOPVSA-N 491.341 4.960 50 10 JJGE COc1ccccc1/C=C(\C#N)C(=O)N(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 40977772 SRMBFGVFHYLVRR-CJLVFECKSA-N 460.555 4.950 50 10 JJGE C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OCC 59484100 FTAGFOXDEAYXPJ-LFIBNONCSA-N 474.298 4.800 50 10 JJGE Cc1nn(CCC#N)c2c1[P@](=O)(c1ccccc1)/C(=C1\N(C)c3ccccc3C1(C)C)C=N2 101082858 BOYYVOYJWHCCAD-NEJSZLQSSA-N 455.502 4.774 50 10 JJGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(OC)cc1 101241705 UJXONRWFDVPLAJ-SEDGDDRASA-N 488.396 4.730 50 10 JJGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242031 VKFIQWBVRUJWBN-HVBJHMBASA-N 475.545 4.724 50 10 JJGE ClCCc1nc2cc(I)ccc2n1-c1cncc(Br)c1 379921727 DVXUTTQGXDSYQP-UHFFFAOYSA-N 462.516 4.569 50 10 JJGE O=C(CBr)c1c(Br)cc(I)cc1C(F)F 575688052 ZDOQDEAPHREOKU-UHFFFAOYSA-N 453.846 4.569 50 10 JJGE C[C@H](Br)[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2I)C1 689041856 AQZYVIBTXPCLDU-VHSXEESVSA-N 456.549 4.580 50 10 JJGE CN(C[C@H]1CCC[C@@H]1Br)C(=O)c1cc(Cl)ccc1I 689220896 ZDUXMDNPBVRUJO-SKDRFNHKSA-N 456.549 4.580 50 10 JJGE C[C@H](C(=O)NN=Cc1ccccc1Cl)n1nnc(-c2ccc(OCc3ccccc3Cl)cc2)n1 1088681146 ONKFEYZAZXUAFL-MRXNPFEDSA-N 495.370 4.937 50 10 JJGE O=[N+]([O-])c1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)c(Cl)c1 1614637183 TWLHKSZZOIRYAY-YOEHRIQHSA-N 456.711 4.899 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cc(F)ccc2[N+](=O)[O-])C1 1614694063 HNISCQZJXMBSMI-RHSMWYFYSA-N 484.265 4.521 50 10 JJGE C=C(CBr)CN1CCC2(CC1)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1655165936 SRQWYHSVVLLLKB-GOSISDBHSA-N 451.405 4.821 50 10 JJGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccc[nH]2)C(C#N)=C(N)O3)cc1 1865709826 HWDCIAOHKRCFJB-FQEVSTJZSA-N 488.345 4.857 50 10 JJGE CC[C@H](Br)CN(C)Cc1ccc(I)c(Br)c1 1904343968 OLBGSGAFGMOQOW-JTQLQIEISA-N 460.979 4.659 50 10 JJGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1sccc1I 1914211700 GRFWXDQLCDCNBI-NSHDSACASA-N 464.166 4.779 50 10 JJGE N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)C=Cc3ccc(Cl)cc3Cl)cc2)cc1 2040436769 YKEPZBLVCCJBQT-UHFFFAOYSA-N 466.324 4.772 50 10 JJGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1cc(Br)c(Br)s1 2042544867 IBOFUKNHDPDJFB-UTSKPXGSSA-N 458.013 4.565 50 10 JJGE Brc1cc([C@H](Br)[C@H]2CCn3ncnc3C2)sc1Br 2046632106 ZPXYHGXAOQWOIA-QUBYGPBYSA-N 456.001 4.563 50 10 JJGE N#CC(=Cc1ccccc1)C(=O)N=C1N=C2C=CC(I)=CN2Cc2ccccc21 2053611408 LIMWAYWRTQGEAX-UHFFFAOYSA-N 490.304 4.627 50 10 JJGE CC1(C)CCCN(c2ncc(I)cc2Br)[C@@H]1CBr 2069533065 YNGVFQDEKBSLDY-LLVKDONJSA-N 488.005 4.839 50 10 JJGE Fc1ccc(N2CC[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)c(CBr)c1Cl 2185515110 PJEFLCDPHWFQGA-VQTJNVASSA-N 453.783 4.854 50 10 JJGE Cc1ccc(I)c(-n2c(CCl)nc3cc(Br)cnc32)c1 2240633516 WOGXVKFVGIGQIT-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE C[C@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)CC[C@H]1CBr 2295310987 DXNPTVNIKFWPGT-JQWIXIFHSA-N 468.027 4.634 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1CCCCC[C@H]1Br 2295316002 SHOJLBNAAIHEMA-KGLIPLIRSA-N 468.027 4.967 50 10 JJGE C[C@H](NC(=O)C(C#N)=C1NC(=NC(=O)c2cccc(Br)c2)c2ccccc21)c1ccccc1 2296842934 DUBMQUWLICNPTH-INIZCTEOSA-N 499.368 4.751 50 10 JJGE Cc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 2297551647 WWPFTQZUPYEYIM-UHFFFAOYSA-N 472.413 4.576 50 10 JJGE CCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccccc3)cc2OC)cc1 2314737209 RIMQBEURHUNUMC-UHFFFAOYSA-N 482.536 4.936 50 10 JJGE COc1ccc(Cc2nc3ccc(C(=O)NN=Cc4c(O)ccc5ccccc45)cc3[nH]2)cc1 2318417979 MCOVVRTZLJWBPP-UHFFFAOYSA-N 450.498 4.785 50 10 JJGE COc1ccccc1C(C#N)=Cc1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 2320507324 PFHRUHWXEZLBBA-UHFFFAOYSA-N 488.565 4.763 50 10 JJGE COc1ccc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1OCc1ccccc1Cl 2328799192 XZOKHIHIHBAMOS-FQEVSTJZSA-N 487.984 4.777 50 10 JJGE C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 2328818700 PKKZLMHZBVQWTB-AWEZNQCLSA-N 466.365 4.936 50 10 JJGE C[C@H]1CC[C@H](CBr)N(C(=O)c2ccc(Cl)cc2I)C1 2340066792 UVBBQTUDCQBBOD-GXSJLCMTSA-N 456.549 4.580 50 10 JJGE CC[C@@]1(C)[C@H](Br)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2361897789 VYDIWADEYAHTOU-HIFRSBDPSA-N 468.027 4.919 50 10 JJGE CC(C)(CCl)C(=O)Nc1cc(-c2cccs2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1 11855236 WOGVYCUMZHSMEW-UHFFFAOYSA-N 453.955 4.555 50 10 JJGE C[C@H](C(=O)Oc1cccc(/C=C(/C#N)c2ccc(Cl)cc2)c1)N1C(=O)c2ccccc2C1=O 31903061 XXSZQMHRPKFFFG-YZYPPFLQSA-N 456.885 4.994 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C(C)C)cc1 40878168 RPCAURWOOHPKSN-FYJGNVAPSA-N 474.513 4.619 50 10 JJGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)ccc1OCc1ccc(C)cc1 40911136 CZVGFMNSWWCBCC-VULFUBBASA-N 483.362 4.874 50 10 JJGE COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc(Br)c1OC 40961584 MUUJJUITURKNLC-FIKYGGOLSA-N 463.372 4.681 50 10 JJGE CC(CC(=O)Nc1cccc(Cl)c1C)=NNC(=O)COc1ccc(C)cc1Br 254869756 IMCFNOYUNVERQZ-UHFFFAOYSA-N 466.763 4.619 50 10 JJGE CC(C)(C)OC(=O)NCCN1CCNC[C@@H]1c1ccc(CCO[Si](C)(C)C(C)(C)C)cc1 616605507 ZFTQOUSUEWNCPT-JOCHJYFZSA-N 463.739 4.722 50 10 JJGE Cc1ccc(-n2nc(C)c(CC(=O)NNC(=S)Nc3ccc(OC(C)C)cc3)c2C)cc1Cl 727494301 GNSMBDQCCBVIRY-UHFFFAOYSA-N 486.041 4.798 50 10 JJGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=C/C=C\c1ccccc1 1084277870 WMJBOGYFUOGKLD-GEWAZJEXSA-N 452.146 4.714 50 10 JJGE C/C(=C/c1ccc(Cl)cc1)C(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1 1442524310 CTAUGNUDUXTGGT-LXGMGKJTSA-N 459.977 4.518 50 10 JJGE C=CC[C@@]1(C(=O)NNc2cc(Cl)ccc2Br)CCCN1C(=O)OC(C)(C)C 1651622235 IJVYWCPBZCPIHX-IBGZPJMESA-N 458.784 4.891 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc([N+](=O)[O-])c2)CCC3)c(C)c1 1772746718 ZSOOKMCMNGDNPP-UHFFFAOYSA-N 460.490 4.836 50 10 JJGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706225 QRBVTYJZQHZYAH-LJQANCHMSA-N 456.289 4.673 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OC)c(OCc2ccccc2)c1 1873794721 WZWOEGPGBIYJLA-MWGGWIEZSA-N 469.582 4.664 50 10 JJGE CC(C)(C)N(CCBr)C(=O)c1ccc(Br)cc1I 2086152318 ZSWMAZQAJBVNTH-UHFFFAOYSA-N 488.989 4.689 50 10 JJGE Cn1cc(Br)c(COc2c(F)cc(Br)cc2CBr)n1 2087325237 KZLGYWKGBNKFBA-UHFFFAOYSA-N 456.935 4.558 50 10 JJGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1cccc(Br)c1Br 2104409242 WDJAKVHOIUDLHS-IWXIMVSXSA-N 451.984 4.503 50 10 JJGE C[C@H]1Cc2cc([C@H](Br)c3cc(Br)n(C)n3)cc(Br)c2O1 2150478511 LIUNJYNSRUNYQM-CPFSXVBKSA-N 464.983 4.753 50 10 JJGE C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)CC[C@H]1CCBr 2172480489 WTNXVTOEXOHRRK-RKDXNWHRSA-N 465.660 4.596 50 10 JJGE C[C@]1(CC(CBr)(CBr)c2ccccc2Br)COCCO1 2174170881 ICUUSDKWSXESDG-AWEZNQCLSA-N 471.027 4.672 50 10 JJGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1cc(CBr)cc(C)c1C 2179862416 WGRROTNZCOCPSA-UHFFFAOYSA-N 454.430 4.816 50 10 JJGE BrC[C@@H]1C[C@@H]2OCCN(Cc3cc(Br)ccc3Br)[C@H]2C1 2199771294 ALODGHLPRLSSMH-LKTVYLICSA-N 468.027 4.586 50 10 JJGE Cc1cc(C(=O)NC[C@@H]2CCC[C@H](CBr)C2)ccc1I 2207106498 MHAUBRIMTWGZEM-QWHCGFSZSA-N 450.158 4.531 50 10 JJGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)Cc1ncsc1Br 2213759680 QLXMBUDTESCHIF-HNNXBMFYSA-N 496.290 4.657 50 10 JJGE Cc1c(Br)cccc1CO[C@H](CCl)[C@@H](I)CCl 2248254447 GTEPTLOQTMZSKA-NWDGAFQWSA-N 451.957 4.924 50 10 JJGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(Cl)c2Cl)cc1 2295483032 SRMKXVZPDSZXLR-UHFFFAOYSA-N 481.383 4.981 50 10 JJGE COc1cccc(C=NNC(=O)c2scc3c2NC(=O)C3(c2ccccc2)c2ccccc2)c1O 2297715859 YENXCTHNWSNVMA-UHFFFAOYSA-N 483.549 4.513 50 10 JJGE CC[C@@H](C)[C@@H](CI)NCc1cc(I)ccc1Cl 2307325330 XXDJUVMADPEVIG-NOZJJQNGSA-N 477.555 4.884 50 10 JJGE N#CC(=Cc1cc(Br)c(N2CCOCC2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313565225 KCUQBTHENAGRHN-UHFFFAOYSA-N 471.138 4.731 50 10 JJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)C(=O)NCCc1ccccc1 2314522553 OEZOZLSNJZNMMZ-UHFFFAOYSA-N 462.509 4.534 50 10 JJGE C[C@@H](Br)[C@@H](NCc1ccc(Cl)cc1I)C(F)(F)F 2318524414 NPLWRQATHURLHG-LHLIQPBNSA-N 456.471 4.749 50 10 JJGE CCOc1cc(C=NNC(=O)c2cccnc2)ccc1OCc1ccc(Br)cc1 2323126261 MZZHBLDLPISUSQ-UHFFFAOYSA-N 454.324 4.586 50 10 JJGE C[C@H]1[C@H](C)N(C(=O)c2cc(Cl)ccc2I)CC[C@H]1Br 2344521054 RJPHJQQHVIAZJG-HOTUBEGUSA-N 456.549 4.579 50 10 JJGE C=CC[C@H](Br)[C@H]1CCN1C(=O)Cc1cc(Br)cc(Br)c1 2360964607 QLYRWJGJKKSREQ-UONOGXRCSA-N 466.011 4.695 50 10 JJGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1Br 14041250 QJAWVLQKZADRSO-UHFFFAOYSA-N 490.181 4.775 50 10 JJGE N#C/C(C(N)=O)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1 16758798 VAEKGTIIXLFZRV-TWQQJCIXSA-N 452.750 4.558 50 10 JJGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3)ccc21 38660660 KJKYTNMWHAPECU-QFIPXVFZSA-N 477.314 4.895 50 10 JJGE O=C(NNc1ncnc(Nc2ccccc2Br)c1[N+](=O)[O-])c1cccc2ccccc12 40648278 SAXIWUMMMJAOHN-UHFFFAOYSA-N 479.294 4.801 50 10 JJGE CCCCOc1ccc(/C=N/NC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1OC 40844758 ATZZVSHMFNELDK-ZVHZXABRSA-N 459.568 4.757 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 40884563 FJSRKZURNRJORB-MMWWNLEXSA-N 462.889 4.784 50 10 JJGE CCN(CC)Cc1ccc(C(=O)NNC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cccs2)o1 210430683 WALBBQKWUKRAGI-QINSGFPZSA-N 489.601 4.510 50 10 JJGE CCCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OC 214389133 UULNMMUSNUCUGK-MTJSOVHGSA-N 488.540 4.785 50 10 JJGE CC(C)(C)C[C@H](Br)CNS(=O)(=O)c1cc(Cl)c(Br)s1 226266856 RZHBRVVHNNRRHF-ZETCQYMHSA-N 453.649 4.642 50 10 JJGE CC(=NNC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccc(Cl)s2)c1 252625968 QTEMMZBBQUNOEV-CQSZACIVSA-N 486.937 4.870 50 10 JJGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc3c1C(=O)c1ccccc1C3=O)[C@@H](Br)C2=O 256020012 RGNYQLAXMSPGSD-AMDXRBSFSA-N 480.358 4.559 50 10 JJGE CC(C)(C)OC(=O)NC[C@@](C)(CI)O[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 303741133 HCDSSOKKRWELAR-GTYSZEQSSA-N 451.389 4.936 50 10 JJGE C[C@H](CCl)[C@@H]1CCCCN1C(=O)c1cc(I)ccc1Br 696711253 FYSJWXISCUPQOE-YGRLFVJLSA-N 470.576 4.923 50 10 JJGE O=S(=O)(N[C@H]1CCC[C@H](Br)C1)c1c(Cl)cc(Br)cc1Cl 703646326 KDCFIVVQOZTKOH-CBAPKCEASA-N 466.022 4.740 50 10 JJGE O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)NC1CCN(C(=O)CC(F)(F)F)CC1 727029417 DXJOSLVBYTXMIF-CQSZACIVSA-N 477.858 4.971 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)NC[C@H]2CCOc3ccccc32)c(-c2ccc(Cl)cc2)n1 731171126 CTEYCWGXIFXNHG-HZQOKBKYSA-N 471.948 4.707 50 10 JJGE O=C(NN=Cc1ccccc1Br)c1ccn(Cc2ccc(Cl)cc2Cl)n1 1083941366 IHJLUJQRSVGZCY-UHFFFAOYSA-N 452.139 4.765 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3c(OC)cccc3OC)n2)c(OC)c1OC 1872759351 LILYGNKRQWPASI-ZHZULCJRSA-N 454.504 4.803 50 10 JJGE COc1cccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c1OCc1ccc(F)cc1 1873795068 QJXDWZWWZWBKMM-MMOHFDRGSA-N 487.572 4.803 50 10 JJGE O=C(NCC[C@@H]1CCC[C@@H]1Br)c1ccc(I)c(Cl)c1 1913722113 UJGUBZRLHGIARL-ONGXEEELSA-N 456.549 4.628 50 10 JJGE C[C@H](Br)[C@H]1CCCCN1c1ncc(I)cc1Br 2015761934 DZRQXHBGTSOYNY-GZMMTYOYSA-N 473.978 4.591 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C 2061268066 NQKOFSBKEPNOAY-RCCFBDPRSA-N 489.748 4.906 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1[C@H]2CC[C@@H]1C[C@H](Br)C2 2098694631 MTZSTVHSSVNKPJ-CLLJXQQHSA-N 451.984 4.742 50 10 JJGE C[C@@H](Br)C[C@H]1COCCN1Cc1c(Br)cccc1Br 2128864892 NBXOIQJSDXVLSF-MNOVXSKESA-N 456.016 4.586 50 10 JJGE CC(C)(C)N(CCCCl)C(=O)c1ccc(Br)cc1I 2142287286 CLRODXQTGXLQIA-UHFFFAOYSA-N 458.565 4.923 50 10 JJGE CN(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(CBr)c(Cl)c2)C1 2179861686 LCDPCDQVAUPRQV-GOSISDBHSA-N 471.848 4.520 50 10 JJGE Fc1ccc(N2CC[C@H]3COC[C@@H](C2)N3Cc2ccccc2)c(CBr)c1Cl 2204522433 QKQDEHKAXGBIOW-DLBZAZTESA-N 453.783 4.854 50 10 JJGE O=C(N[C@H]1CCCC[C@@H]1CCCl)c1ccc(Br)cc1I 2207262295 QAKNPXOGAOSTGM-YGRLFVJLSA-N 470.576 4.971 50 10 JJGE C[C@@H](Cl)C12CCC(CC1)N2C(=O)c1ccc(Br)cc1I 2207264679 IKJWLFZPGAODFK-IWPPJYEWSA-N 468.560 4.818 50 10 JJGE O=C(NC12CCC(CCl)(CC1)C2)c1ccc(Br)cc1I 2207264840 KHSSAFUPBRWHHZ-UHFFFAOYSA-N 468.560 4.725 50 10 JJGE Cn1cc([C@H](Br)c2c(F)cc(F)c(Br)c2F)nc1Br 2227810694 XPKFPVABOJVOMM-VIFPVBQESA-N 462.889 4.847 50 10 JJGE O=C(c1csc(I)c1)N1[C@H](CBr)C[C@@H]2CCCC[C@H]21 2232019111 BSMSMIMXBQTYTI-ZMLRMANQSA-N 454.171 4.521 50 10 JJGE CC1CC(CBr)(CN=[S@]2(=O)CC[C@H](CNC(=O)OC(C)(C)C)C2(C)C)C1 2265309487 HFIKHTNJLUPHIF-URWKRSBDSA-N 451.471 4.589 50 10 JJGE CCOc1ccc(C=C(C#N)C(=O)Nc2cccc(Br)c2)cc1I 2293226870 GFDIHPVYNFAVIG-UHFFFAOYSA-N 497.130 4.998 50 10 JJGE C[C@H](CC1CCN(CC(C)(C)CI)CC1)N(C)C(=O)OC(C)(C)C 2306808482 AKPZTEITCXBULB-OAHLLOKOSA-N 452.421 4.805 50 10 JJGE CC(C)N(C[C@@H]1CCCN(CC(C)(C)CI)C1)C(=O)OC(C)(C)C 2306810588 VFJWOOADAFJCBY-MRXNPFEDSA-N 452.421 4.805 50 10 JJGE CNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C(C)C)cc1 2314593140 IAIBOLAKGBMFON-HXUWFJFHSA-N 484.419 4.745 50 10 JJGE CC(C)[C@@H](CBr)N(C)C(=O)c1cc(Br)ccc1I 2318852294 MCMXCBCPQSXLHE-GFCCVEGCSA-N 488.989 4.545 50 10 JJGE COc1cccc(-c2ccc(C(=O)NNC(=O)C=Cc3ccc(Cl)cc3Cl)c(C)n2)c1 2321126049 AJQCTHMNHJSCFC-UHFFFAOYSA-N 456.329 4.847 50 10 JJGE CN(Cc1ccc(I)c(Br)c1)[C@H](CCCl)C(F)F 2325210255 WSMYJUSFYGULDT-LLVKDONJSA-N 452.508 4.748 50 10 JJGE CCCCO[C@@H]1[C@H](Cl)C[C@H]1Oc1cc(Br)cc(I)c1 2338756916 DYMGURFDFKNHOA-MGPQQGTHSA-N 459.549 4.998 50 10 JJGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OCC(C)C)cc1 14650803 ZZPIEXCKFIETMR-UHFFFAOYSA-N 477.399 4.984 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@@H]1c1ccccc1F 38651900 CKTVLXZFDPLOBJ-QHCPKHFHSA-N 495.304 4.791 50 10 JJGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cc1 59679980 TUGITPAOIAOBMU-CVKSISIWSA-N 485.456 4.739 50 10 JJGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(C)c(C)c1 101241947 RPGMZJAKFCPXQF-SSXUBFHHSA-N 451.979 4.685 50 10 JJGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242295 FFILJMSOYFUNDK-IVYNLYIOSA-N 493.972 4.684 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/Nc1cc(C)c(C)cc1Br 105753196 LWZQNAUSSRZPMB-XDHOZWIPSA-N 450.336 4.771 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CCCC[C@@H]1CCCl 236042065 WLVJJKLGYYPHOC-LLVKDONJSA-N 456.549 4.677 50 10 JJGE O=C(NCC1(CBr)CCCCC1)c1ccc(F)cc1I 236278082 VBYUZFIISYQRLO-UHFFFAOYSA-N 454.121 4.506 50 10 JJGE COc1ccc(Br)cc1C(=O)NN=Cc1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 252619578 LQLGRFMBEQFERD-UHFFFAOYSA-N 458.268 4.698 50 10 JJGE CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)COc3cccc4ccccc34)c2C)cc1 252627780 SBHOPAOKIYVZNB-UHFFFAOYSA-N 469.541 4.953 50 10 JJGE O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NN=Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 254290702 CPDRLVSAFBXIOU-HSZRJFAPSA-N 479.367 4.966 50 10 JJGE O=S(=O)(c1ccc(Br)cc1Cl)N(CCBr)Cc1ccccc1 309578116 YFBDDKIDOPJFNT-UHFFFAOYSA-N 467.610 4.688 50 10 JJGE C[C@H](Br)CC(C)(C)CNS(=O)(=O)c1cc(Br)ccc1Br 393580537 HGBMHCOWQLFBMA-VIFPVBQESA-N 492.071 4.690 50 10 JJGE FC(F)(F)[C@@H]1CN(c2ncc(Br)cc2Br)C[C@H]1CBr 709876170 SORXQCQKFDFHMD-HTRCEHHLSA-N 466.921 4.616 50 10 JJGE C#CCOc1ccc(Br)cc1C=NNC(=O)COc1ccc(-c2ccccc2)cc1 1084035578 AXMLPPDPPLHNGI-UHFFFAOYSA-N 463.331 4.657 50 10 JJGE COc1cc(C=NNC(=O)c2ccc(C)c(Cl)c2)ccc1OCc1ccc(C(=O)O)cc1 1084310006 HORXPVUONLGGJM-UHFFFAOYSA-N 452.894 4.698 50 10 JJGE O=C(NN=Cc1ccc(I)cc1)c1cc2cc(Br)ccc2o1 1084557319 CMDCFAVHVPCJKR-UHFFFAOYSA-N 469.076 4.564 50 10 JJGE CCOc1cc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)ccc1OC 1614687768 DLVGFAIYWUEJFV-OALUTQOASA-N 495.357 4.881 50 10 JJGE Cc1c(C(=O)NC2CCCCC2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743599 GAGCPEIBJDAZKN-UHFFFAOYSA-N 472.383 4.883 50 10 JJGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1cccc(Cl)c1 1865693090 LCTLRVUVWMKKFV-QFIPXVFZSA-N 464.953 4.909 50 10 JJGE Cn1cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Cl)c(Cl)c1 1865699585 XKZAFNGJLXSLNB-CQSZACIVSA-N 454.239 4.755 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865704325 SMVPTYULTOBVLL-XMMPIXPASA-N 492.535 4.832 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)c(OC)c1 1873793349 KMSJYTGEVXWKOS-XEVLUGQISA-N 483.609 4.972 50 10 JJGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1cccc(Br)c1 1915088732 OJBTVQAFZZGQLI-CQSZACIVSA-N 461.219 4.814 50 10 JJGE CC1(C)C[C@H](Br)CN(C(=O)c2cc(Br)cc(Br)c2)C1 1923164156 QZLKHHMAKLYLDF-LBPRGKRZSA-N 454.000 4.847 50 10 JJGE CC(C)(C)OC(=O)N1CCN(C[C@@H](CBr)CC2CC2)CCN1C(=O)OC(C)(C)C 1961124525 BTBYSWDZUSYORM-QGZVFWFLSA-N 476.456 4.502 50 10 JJGE C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NN=CC=C2N(C)c3ccccc3C2(C)C)cc1 2040453907 TVDOBZZYSYKFFL-SFTDATJTSA-N 488.632 4.882 50 10 JJGE O=C(CBr)c1c(I)cc(C(F)(F)F)cc1OC(F)(F)F 2055151978 VUUWIQNZMXMJDL-UHFFFAOYSA-N 476.936 4.786 50 10 JJGE O=C(c1scc(Br)c1Br)N1[C@H]2CC[C@@H](C2)[C@@H]1CBr 2058371036 VTJRAJTXWHELNE-ZKWXMUAHSA-N 458.013 4.661 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CCC12CC(CBr)C2 2104561014 SZEPHSCKMXOBBO-UHFFFAOYSA-N 451.984 4.601 50 10 JJGE CC(C)(C)OC(=O)N[C@H](C[S@](C)(=O)=NCC1(CBr)CCCC1)C(C)(C)C 2106788602 RBIQVGZCCSCPFK-WZQKQDCOSA-N 453.487 4.979 50 10 JJGE CCn1cc(Br)c(COc2cc(Br)ccc2CBr)n1 2124742490 ZZIRBRMEONETFW-UHFFFAOYSA-N 452.972 4.902 50 10 JJGE C[C@H](Br)CCCc1cn(-c2ccc(Br)c(Br)c2)nn1 2132759756 RTGROCBBFGNHHS-VIFPVBQESA-N 451.988 4.898 50 10 JJGE Cc1cc(C(=O)N2CCCC[C@@H]2[C@H](C)CBr)ccc1I 2207100013 AFLAJJJWUBVUSZ-IUODEOHRSA-N 450.158 4.625 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H](Br)CC2(CC2)C1 2295313150 FZIGXITUJGSGDP-ZDUSSCGKSA-N 466.011 4.530 50 10 JJGE N#CC(=Cc1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2297551826 JTVVYJCILMAQAJ-UHFFFAOYSA-N 483.549 4.612 50 10 JJGE COc1cc(Br)ccc1C(=O)N[C@@H](CCBr)COCc1ccccc1 2320359873 BVVNHYWOZNUIFD-INIZCTEOSA-N 471.189 4.558 50 10 JJGE CS(=O)(=O)c1ccccc1C(=O)NN=Cc1cn(CCOc2ccc(Cl)cc2)c2ccccc12 2321226903 NFIXNMIETAUOSB-UHFFFAOYSA-N 495.988 4.541 50 10 JJGE ClCCOCC1CCN(Cc2ccc(I)c(Br)c2)CC1 2377344069 PYTXZTSSUDQCPD-UHFFFAOYSA-N 472.592 4.521 50 10 JJGE CCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 14012323 PGTLAWPIGKKYQO-UHFFFAOYSA-N 459.546 4.710 50 10 JJGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)COc1ccc(Br)cc1C(C)(C)C 14668286 VPNRGIOSPCMTTJ-INIZCTEOSA-N 499.405 4.894 50 10 JJGE COc1ccc(/C(C)=N/NC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)c(OC)c1 27520186 UZMBZLGLHKQMCF-JFLMPSFJSA-N 496.361 4.873 50 10 JJGE CCOc1cc(/C=C(/C#N)c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1ccc(F)cc1 34988363 YCOYIAHQKIMLMW-AQTBWJFISA-N 484.487 4.955 50 10 JJGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 38607005 JMNKGIBSKIYPJF-SFFGGSCWSA-N 478.552 4.619 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)c1 38650209 AUZFERWLAMVCJH-AREMUKBSSA-N 456.498 4.515 50 10 JJGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1 38682345 RNLIILWDIQZAQC-RUZDIDTESA-N 458.539 4.920 50 10 JJGE COc1cc(/C=N/NC(=O)c2ccccc2OCc2cccc(Br)c2)ccc1O 96095914 QIYSQXVDZGXHBD-ZMOGYAJESA-N 455.308 4.506 50 10 JJGE COc1cc(/C=N/NC(=O)c2cc(Br)ccc2OCc2ccccc2)cc(OC)c1OC 96095915 REWAQSOFWSKBIS-VULFUBBASA-N 499.361 4.818 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCCOc1ccc(C)cc1 206399931 LDUCYGNHXFTFPS-ULJHMMPZSA-N 484.552 4.992 50 10 JJGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)C1=O 214218207 USJQJAYSUVOKAF-XKZIYDEJSA-N 454.505 4.989 50 10 JJGE CCOC(=O)c1ccc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 216486990 HWPRXVMYXIBNGK-ROMGYVFFSA-N 494.595 4.616 50 10 JJGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1OC 254294865 PTXBOOXVCCQQRG-UHFFFAOYSA-N 487.585 4.502 50 10 JJGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc([N+](=O)[O-])cc2)c1 254863504 SOJUCCBTIRQKOW-UHFFFAOYSA-N 483.480 4.805 50 10 JJGE O=C1CCc2cc([C@@H](Br)c3sccc3I)c(F)cc2N1 380983784 DJHFDOQRSFQFOY-CYBMUJFWSA-N 466.113 4.861 50 10 JJGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CN4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)c1OC 1084090564 BCEJEXOFRLNFHW-RZIGYZOXSA-N 488.632 4.856 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084551593 YLXYIRSPADMUGO-OAHLLOKOSA-N 457.361 4.728 50 10 JJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc1OCC 1865688190 MVGJVEJEFZJMMV-DEOSSOPVSA-N 462.525 4.785 50 10 JJGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@H]1C[C@@H]1Br 1893149062 ZCECJQJKFICQIQ-XARZLDAJSA-N 485.422 4.792 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCCCCCC(F)(F)F)C1 1900521301 WBPYXHSKSRTLPJ-NWDGAFQWSA-N 451.267 4.549 50 10 JJGE O=S1(=O)CCCC[C@@H]1[C@H](Br)c1sc(Br)cc1Br 1922935807 SJMSFBNXTXLGDX-APPZFPTMSA-N 467.042 4.676 50 10 JJGE C[C@@H](CBr)[C@@H]1CCCCN1c1ncc(I)cc1Br 2069529679 RUMKYBMRQMBOIZ-CABZTGNLSA-N 488.005 4.839 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CCC[C@H]1CCCBr 2094089214 UFEXOGMNXMOJJR-SNVBAGLBSA-N 454.000 4.991 50 10 JJGE FC1(F)CN(Cc2ccccc2)CCCCN(c2ncc(Br)c(CCl)n2)C1 2164877217 TXJRGWDGINUNEO-UHFFFAOYSA-N 459.766 4.716 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNc1cc(Br)cc([N+](=O)[O-])c1 2218940280 WNRMEBOUXHWZRS-UHFFFAOYSA-N 452.396 4.675 50 10 JJGE O=C(NCC1(CBr)CC(F)(F)C1)c1scc(Br)c1Br 2266910916 QHTKMTANZAFXJY-UHFFFAOYSA-N 481.982 4.813 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1CCC[C@H](Br)C1 2277935424 GOIFKPBJVNKGJI-GWCFXTLKSA-N 454.000 4.576 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@]2(CCC[C@@H]2Br)C1 2283664126 WRXSGHGPYVOYNB-DZGCQCFKSA-N 468.560 4.724 50 10 JJGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1OC 2320506385 IJYBBXHREYFXBH-UHFFFAOYSA-N 475.413 4.804 50 10 JJGE COc1cc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc1OCc1ccccc1 2328822738 KTPQLRAODUMZDQ-NRFANRHFSA-N 469.582 4.664 50 10 JJGE CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3ccc(C)cc3)sc2c1 2329632887 RQYSERWIPNGMLJ-UHFFFAOYSA-N 482.631 4.961 50 10 JJGE CC1(C)[C@H]2CO[C@]1(CO[C@H](CI)c1ccccc1Br)C2 2359840093 DXNXVBBHRQZATP-XFJVYGCCSA-N 451.142 4.757 50 10 JJGE COc1cc(/C=N/NC(=O)[C@H]2COc3cc4ccccc4cc3O2)ccc1OCc1ccccc1 1209996 DHSXMRQFCGZTTP-POHSMMLUSA-N 468.509 4.718 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@H]1c1ccc(Br)cc1 38651643 MBABGCGHDCBCRJ-OAQYLSRUSA-N 492.285 4.795 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1 38685884 QJJLXICMEMYTMY-HHHXNRCGSA-N 470.525 4.905 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(O)cc2)CCC3)cc1Cl 40812043 XENKPCVOVFXZEN-ZXVVBBHZSA-N 451.910 4.978 50 10 JJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)Cc3cccc4ccccc34)cc2)cc1OC 254738345 VNCKKOKFRBPBOX-UHFFFAOYSA-N 468.509 4.769 50 10 JJGE O=C1Cc2cc([C@@H](Br)c3sccc3I)c(Cl)cc2N1 311695887 LLJLWSRTLWIGQY-GFCCVEGCSA-N 468.541 4.985 50 10 JJGE CC[C@H](Br)[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 387386923 JSXYEMKCNVRVND-SVRRBLITSA-N 454.011 4.596 50 10 JJGE C[C@@H](Cl)[C@H]1CCCN(C(=O)c2cc(Br)ccc2I)C1 689043899 OKAAGBZZXPTENJ-ZJUUUORDSA-N 456.549 4.533 50 10 JJGE Cc1csc(=O)n1CCOc1c(Br)cc(CBr)cc1Br 700228212 REGFVACETIPIBJ-UHFFFAOYSA-N 486.023 4.717 50 10 JJGE O=C(NC1(CBr)CCCCCCC1)c1ccc(I)cc1 713448796 GJQWJUDMRMZZNH-UHFFFAOYSA-N 450.158 4.899 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1 1084346330 QWTBMQBTUMRCJK-UHFFFAOYSA-N 480.586 4.589 50 10 JJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccccc2)C(C#N)=C(N)O3)cc1 1865680288 GEIATKKMFCFVSF-QHCPKHFHSA-N 450.498 4.775 50 10 JJGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865707039 MINNECUTVRWMPG-QFIPXVFZSA-N 464.953 4.773 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 1865713330 WRBYWZAQWLQBFP-IBGZPJMESA-N 480.322 4.714 50 10 JJGE O=C(c1cc(Br)ccc1O)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915313716 PCQUPZWMFVUUEY-QGZVFWFLSA-N 453.174 4.971 50 10 JJGE O=S1(=O)CCC[C@H]([C@H](Br)c2cc(Br)sc2Br)C1 1942228933 VSJKTBIGORLQPA-RCOVLWMOSA-N 467.042 4.534 50 10 JJGE O=S(=O)(c1ccc(CCl)c(Br)c1)N1CCC(OCc2ccccc2)CC1 2088578139 ZWBOBCNFBWQIQE-UHFFFAOYSA-N 458.805 4.558 50 10 JJGE C[C@@H]1CC[C@@H](CCl)N(C(=O)c2cc(I)ccc2Br)C1 2110617006 OCJMGDLRLORABD-KOLCDFICSA-N 456.549 4.533 50 10 JJGE CN(C(=O)c1cc(Br)cc(Br)c1)C1(CBr)CCCC1 2113806656 DAXHOSREIDHXAM-UHFFFAOYSA-N 454.000 4.991 50 10 JJGE C[C@@H]1C[C@H](CCl)CCN1C(=O)c1cc(I)ccc1Br 2115838044 WMFYNROUKZGKBS-NXEZZACHSA-N 456.549 4.533 50 10 JJGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cccc(Br)c1Br 2148757915 UNPANQWGOWTYNW-MNUQUWEESA-N 466.011 4.988 50 10 JJGE C[C@@H]1C[C@@H](Br)CCN(C(=O)c2ccc(Cl)c(I)c2)C1 2268353142 RWVLEAOLSRKJMT-KOLCDFICSA-N 456.549 4.580 50 10 JJGE CCCCOc1ccc(C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OC 2314616820 KKUNGUGUYZVGCE-UHFFFAOYSA-N 460.530 4.675 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CC[C@H]2C[C@]1(CBr)C2 2315171345 KCZNBJPXYLMAAD-OGXFKERWSA-N 458.013 4.663 50 10 JJGE C[C@H]1CN(Cc2ccc(I)c(Br)c2)CC[C@H]1CBr 2325225461 GCOLUWVVWJYLSI-JQWIXIFHSA-N 487.017 4.907 50 10 JJGE N#CC(=Cc1ccc(Br)cc1)C(=O)Nc1cc2c(cc1Br)OCCO2 2329661940 GUITZJUQIPGCJR-UHFFFAOYSA-N 464.113 4.528 50 10 JJGE N#CC(=Cc1cc(Br)c(O)c(Br)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 2331051430 PMMPSWGNDQJROD-UHFFFAOYSA-N 482.084 4.661 50 10 JJGE COc1cc(C=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCCN1CCOCC1 2331414650 WBJXZNUVLVKRQB-UHFFFAOYSA-N 492.557 4.502 50 10 JJGE C[C@H]1[C@H](C)N(C(=O)c2c(Br)cccc2Br)CC[C@H]1Br 2344514108 SNVNQGJEWKNUNM-LPEHRKFASA-N 454.000 4.846 50 10 JJGE CC1(C)CC(CBr)(CN=[S@@](C)(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 2345008763 UEICQEWNVBYCLL-WZQKQDCOSA-N 451.471 4.685 50 10 JJGE C[C@@H](Br)CCCc1cn(Cc2ccc(Cl)c(I)c2)nn1 2362355108 YEPZQBYISJTBHM-SNVBAGLBSA-N 468.564 4.691 50 10 JJGE Cc1cc(NS(=O)(=O)c2ccc(N/C=C(\C#N)c3nc(-c4ccccc4)cs3)cc2)no1 17025686 VNWLQIFPJBPDSG-GHRIWEEISA-N 463.544 4.884 50 10 JJGE Cc1cc(O[C@H](C)C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)ccc1Cl 20352428 HHELRUVZYHQKGL-DNQBHLINSA-N 490.579 4.797 50 10 JJGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)c1 40529754 FAFKNFVNCFBZAI-DEOSSOPVSA-N 471.469 4.821 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)/C=C/c1ccc(OC(C)C)c(OC)c1 40950655 JEXHDFIUSTWLLS-WOQXGXMJSA-N 478.545 4.541 50 10 JJGE CCCCCOc1ccccc1C(=O)N/N=C/c1c(C)nn(-c2ccc([N+](=O)[O-])cc2OC)c1C 59165854 XQYITZPSAAVLNR-WGOQTCKBSA-N 479.537 4.739 50 10 JJGE Cn1c(=O)n(C)c2cc([C@H](Br)c3sccc3Br)c(Br)cc21 111536818 MNLPRRVATQHTHL-LBPRGKRZSA-N 495.034 4.948 50 10 JJGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 206394980 VWHUKLQVHPFLSU-TZOKSIDISA-N 498.535 4.555 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CCC[C@@H]1CCCBr 232485187 MNCVNGQKTHNFPA-NSHDSACASA-N 454.000 4.991 50 10 JJGE O=C(NC[C@@H]1CCCC[C@H]1Cl)c1cc(I)ccc1Br 236047649 KZAYSDWDRGFAQL-TVQRCGJNSA-N 456.549 4.581 50 10 JJGE CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OCC)cc2)cc1 252589136 AHHBFTIUDDHECY-LPEPVVABSA-N 471.557 4.795 50 10 JJGE CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]3C[C@@H](Br)[C@@]2(O)C(C)=O)C1 254506039 GEVAMMLEIGNEOT-XTQKXCQPSA-N 455.433 4.654 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 254522295 FJAUKIMBANYEAT-UHFFFAOYSA-N 475.501 4.641 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3F)n2-c2ccc(Cl)cc2)cc1 254837018 XFKDYPJQBWNIPF-UHFFFAOYSA-N 495.967 4.978 50 10 JJGE CC(C)(C)c1ccc(C=NNC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)cc1 254867072 IODSNZKTFZJZKL-CLIDQISESA-N 470.529 4.814 50 10 JJGE CC1(C)C[C@H](Br)C[C@H](NC(=O)c2cccc(F)c2I)C1 721695647 AMJFSEUAHBZNGV-ZJUUUORDSA-N 454.121 4.502 50 10 JJGE CC(=O)c1ccc(OCCCC(=O)NNc2ccc(Br)cc2C(F)(F)F)cc1 1542884206 FJEJIIFJGRHNEV-UHFFFAOYSA-N 459.262 4.973 50 10 JJGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865698253 OLXSQIWYUVVDJX-VWLOTQADSA-N 464.525 4.967 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H]2[C@@H](Br)CC[C@H]2C1 2027634674 FCIKYHUIGHGJBI-RNJXMRFFSA-N 458.013 4.519 50 10 JJGE O=C(N[C@H]1CCC[C@H]1CCBr)c1cc(Br)sc1Br 2030108877 BFKXILUHIHMWOY-CBAPKCEASA-N 460.029 4.957 50 10 JJGE C[C@@H]1C[C@@H]1N(CCBr)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2167106863 NYEVLPISEROOPZ-HQJQHLMTSA-N 466.022 4.550 50 10 JJGE CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3ccc(CBr)cc3)sc2C1 2198510956 RIUQTJGFNUYDCP-UHFFFAOYSA-N 452.374 4.584 50 10 JJGE Cc1ccc(C(=O)N2CC(C)(C)CC[C@H]2CBr)cc1I 2232835096 YRUOKFWDJCTDBQ-ZDUSSCGKSA-N 450.158 4.625 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@H](Br)C2(CC2)C1 2295308337 WJXWWZJWTAWTGS-ZDUSSCGKSA-N 466.011 4.530 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CC2(CC2)C[C@@H]1CBr 2295313881 QGKAXNVZAZDASB-CYBMUJFWSA-N 466.011 4.530 50 10 JJGE O=C(NN=Cc1cc(Br)ccc1O)C(=Cc1ccccc1)NC(=O)c1ccccc1Cl 2297322003 NJONNBOIFGQGPQ-UHFFFAOYSA-N 498.764 4.729 50 10 JJGE N#CC(=Cc1ccccc1OCc1ccc(C(=O)O)cc1)C(=O)NCCc1c[nH]c2ccccc12 2297555809 QWGRJHGTVOSTOG-UHFFFAOYSA-N 465.509 4.711 50 10 JJGE O=C(N[C@H]1CC[C@@H]2C[C@]12CBr)c1scc(Br)c1Br 2310668877 UQNLVNNELHUNKV-UTMSNSNXSA-N 458.013 4.567 50 10 JJGE COc1ccc(C=NNC(=O)Cc2cc(Cl)ccc2SC)c(Br)c1OC 2323688144 NUPUZNLVHBUXIH-UHFFFAOYSA-N 457.777 4.534 50 10 JJGE BrC[C@]1(Cc2ccc(I)c(Br)c2)C[C@]12CCOC2 2325236833 LHCJKQKMIWGGLV-KBPBESRZSA-N 485.985 4.788 50 10 JJGE N#CC(=C(O)CN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Br)cc2)cs1 2331259662 JJYVPWHYWSNVHF-UHFFFAOYSA-N 466.316 4.661 50 10 JJGE CN(C(=O)c1ccc(Cl)cc1I)[C@H]1CCCC[C@H]1Br 2340058783 SSPLEYWIRYZJJC-YPMHNXCESA-N 456.549 4.723 50 10 JJGE CC[C@@]1(C)[C@H](Br)CCN1C(=O)c1ccc(Cl)cc1I 2340065787 WQNIZCQULAGBQO-OCCSQVGLSA-N 456.549 4.723 50 10 JJGE CCCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(Br)c(C)c1 14032684 RBOYMYPRNGODFX-UHFFFAOYSA-N 463.372 4.557 50 10 JJGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1 16739782 DPDFERHLSVFSES-FNBPXTNNSA-N 477.973 4.984 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCn2ccnc2)cc1 34258512 DAMVZUDNEIADNS-NKFKGCMQSA-N 480.572 4.638 50 10 JJGE Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1 34890683 UKNJMRQRXKSZHK-CFRMEGHHSA-N 482.290 4.649 50 10 JJGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)c1 38684423 OQEYLYAJZVJACC-MHZLTWQESA-N 486.524 4.687 50 10 JJGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1 38686952 BWYMVIHJFYWORT-XMMPIXPASA-N 450.450 4.539 50 10 JJGE CCCCCOc1ccc(CN2C(=O)/C(=N/NC(=O)c3ccccc3O)c3ccccc32)cc1 102769550 KHSDDOKCVCEYPH-AZPGRJICSA-N 457.530 4.642 50 10 JJGE CCOc1cc(/C=N/NC(=O)c2ccc3[nH]c(-c4ccccc4O)nc3c2)ccc1OC(C)C 169926435 IANWWAYHDXJXBB-JFLMPSFJSA-N 458.518 4.885 50 10 JJGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCC)c(OCC)c2)cc1 207128302 CGRLDUOXNNJFEF-ALNLXFQPSA-N 462.546 4.926 50 10 JJGE CN(C(=O)c1cc(Cl)ccc1I)[C@H]1CCCC[C@@H]1Br 234329319 HVXCIDRZBRZKJL-AAEUAGOBSA-N 456.549 4.723 50 10 JJGE O=C(N[C@H](CBr)c1ccccc1)c1cc(Cl)ccc1I 236066971 AYVYZQNNUBVHOA-CQSZACIVSA-N 464.528 4.811 50 10 JJGE COc1cc(C(C)=NNC(=O)c2ccc(COc3cccc4cccnc34)cc2)cc(OC)c1OC 254629158 CKGKHUMLDWPORT-UHFFFAOYSA-N 485.540 4.994 50 10 JJGE Cc1ccc(CSc2nnc(SCC(=O)NN=C/C=C\c3ccccc3[N+](=O)[O-])s2)cc1 254669070 OEZXBAYBDZDBNP-OMKWCWNPSA-N 485.616 4.955 50 10 JJGE Cc1nn(C)c(COc2cccc(CBr)c2Br)c1Br 315872670 KZONHZOGLZFXEC-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE Cc1cccc(C(=O)NC[C@@H]2CCC[C@@H](CBr)C2)c1I 383666550 SALIAPGUKDLUCL-CHWSQXEVSA-N 450.158 4.531 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1C[C@H]2C[C@H](Br)CC[C@H]2C1 398744011 QZXZGEPRVFFTFU-HBNTYKKESA-N 468.560 4.580 50 10 JJGE Oc1nc2ccc([C@H](Cl)c3ccc(I)c(Br)c3)cc2[nH]1 721608106 DRDOTEDBGVIETK-CYBMUJFWSA-N 463.500 4.964 50 10 JJGE O=C(N[C@H]1CCCCC[C@H]1Cl)c1ccc(I)c(Br)c1 721619098 KSHVPZVUIBMYLE-YPMHNXCESA-N 456.549 4.724 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1 725431814 KSQLBHUQSOBQKW-DEOSSOPVSA-N 497.979 4.808 50 10 JJGE COc1ccc(CN(C)C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1OC 818031963 AFIJLAVFSMUFOG-ZHZULCJRSA-N 489.963 4.700 50 10 JJGE C=CCN(c1ccc(C(=O)NN=Cc2ccc(N(CC)CC)cc2)cc1)S(=O)(=O)c1ccccc1 1083892595 IPHYQYYTIYSFMD-UHFFFAOYSA-N 490.629 4.678 50 10 JJGE Cc1cccc(Cl)c1COc1ccc(C=NNC(=O)c2cccc(N3CCCC3=O)c2)o1 1084007563 SFKOMNRKNPCNMZ-UHFFFAOYSA-N 451.910 4.711 50 10 JJGE CC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)c3ccccc3Br)cc2)cc1 1135659825 UFEILGUQNKRQMQ-UHFFFAOYSA-N 453.292 4.519 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)ccc1OC(C)C 1865696874 SRGGFRTVGGFPKX-JOCHJYFZSA-N 450.926 4.848 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)c(OC)c1 1865708231 RBUIKXPVUFTXLE-QGZVFWFLSA-N 476.842 4.780 50 10 JJGE Cc1c([N+](=O)[O-])cc(/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1[N+](=O)[O-] 1872752847 WDJYXSUMDIWHTF-UYRXBGFRSA-N 452.404 4.614 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OC)c1OCc1ccccc1F 1873794656 TUWOTTAOMJRIMZ-PGLHNWFYSA-N 487.572 4.803 50 10 JJGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccccc1I 1914660413 AENYNPPJEYUTRN-CYBMUJFWSA-N 458.137 4.717 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@]2(CCC[C@@H]2Br)C1 1918939148 NLELADGOJJFSON-DZGCQCFKSA-N 468.560 4.724 50 10 JJGE C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1NCCSSCCNC(=O)OC(C)(C)C 1988840349 OYFQHHXWOUUBKF-DLBZAZTESA-N 463.710 4.518 50 10 JJGE O=C(N[C@@H]1CC[C@H]2C[C@@]21CBr)c1csc(Br)c1Br 2068355071 OHUIFKXMNGZIBF-BLYIZYRKSA-N 458.013 4.567 50 10 JJGE O=C(N[C@H]1C[C@@H]([C@@H](F)CBr)C1)c1cc(Br)c(Br)s1 2078365163 WOKAQNQQELBVRF-BBVRLYRLSA-N 463.992 4.515 50 10 JJGE Cc1cc(Br)cc(CBr)c1OCc1c(Br)cnn1C 2087325608 QLYJDVVUMHWEAT-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE COc1ccc(Br)cc1[C@H](Br)c1nn(C)c(Br)c1C 2111925816 CAIRDVIVLDTJHO-NSHDSACASA-N 452.972 4.746 50 10 JJGE CCOc1ccc(Br)cc1[C@@H](Br)c1cn(C)nc1Br 2116554552 MBCGQSZCWCZKAI-GFCCVEGCSA-N 452.972 4.828 50 10 JJGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Cl)c1 2123205416 NFJSICGXHOCXMB-UHFFFAOYSA-N 460.821 4.852 50 10 JJGE ClCCc1nc2cc(Br)cnc2n1[C@H]1CCOC[C@@H]1OCc1ccccc1 2146524843 STRXUPRCPHJRAR-ROUUACIJSA-N 450.764 4.522 50 10 JJGE CCC[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@@H]1CBr 2205703590 NWNIAWKRWFEOND-NEPJUHHUSA-N 470.576 4.828 50 10 JJGE O=S(=O)(Cc1cccc(Br)c1)N(CCCBr)Cc1ccccc1 2210632757 ILLCWCMCQIEAIA-UHFFFAOYSA-N 461.219 4.566 50 10 JJGE CC(C)(C)CCN(CCBr)C(=O)c1cccc(F)c1I 2289879382 FDQRSFVVFULRRJ-UHFFFAOYSA-N 456.137 4.704 50 10 JJGE CC(=O)c1ccc(-c2ccc(C=C3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)C(C#N)=C3C)o2)cc1 2314616478 BSBMEUSISVYGGD-UHFFFAOYSA-N 480.476 4.670 50 10 JJGE CN(Cc1cc(I)ccc1Cl)[C@H](CCBr)C(F)F 2327407960 XPLXPNAGESONSK-LLVKDONJSA-N 452.508 4.795 50 10 JJGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OCc4ccccc4F)cc3)nc2c1 2331045400 LZMKXNZGIYVTCH-UHFFFAOYSA-N 455.445 4.904 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CC[C@H]2CC[C@@H](Cl)[C@@H]1C2 2355760524 HIMMHCNIPZAXHL-IUPBHXKESA-N 468.560 4.676 50 10 JJGE CC(C)(C)[C@@](C)(CBr)CN1CCC[C@@H](N(CC(F)F)C(=O)C(F)(F)F)C1 2380200274 SGFAZCIDLRYWRL-WBMJQRKESA-N 451.318 4.554 50 10 JJGE O=C(Cc1cccc2ccccc12)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 13976954 ZESGWTGUPOWLPQ-UHFFFAOYSA-N 453.976 4.586 50 10 JJGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2)cc1Br 14041252 CTDCSMORBCQUEE-UHFFFAOYSA-N 471.351 4.621 50 10 JJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2)c(Br)c1 14832237 BJSQENYTRSADOS-INIZCTEOSA-N 485.378 4.721 50 10 JJGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3cc(C)cc(C)c3)nc3ccccn3c2=O)cc1 33681341 RROOZJNDIJQIEN-CYVLTUHYSA-N 466.497 4.658 50 10 JJGE CCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1OCC 38608794 DJGQHNLMMLYTLI-XDHOZWIPSA-N 450.922 4.930 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@@H]1c1ccc(Cl)cc1Cl 38688275 NYOMDPQMLSPGEF-GOTSBHOMSA-N 495.318 4.957 50 10 JJGE Cc1ccc(CNC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)cc1 39850257 XHHIVRCRZGPOPX-HZHRSRAPSA-N 476.536 4.842 50 10 JJGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc(F)cc3F)c(C)c21 40813231 QPEORNNAQINKFX-MTDXEUNCSA-N 453.445 4.598 50 10 JJGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccccn3)CCC4)c2n1 40814340 KVNNZBBPAJMTCZ-RDRPBHBLSA-N 454.486 4.529 50 10 JJGE COc1cccc(O[C@@H](C)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 40960753 CXHSRMVJYUYJLS-JEWIKEISSA-N 468.937 4.854 50 10 JJGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 101338529 MVFKFQQZLQKQHG-BUVRLJJBSA-N 493.523 4.982 50 10 JJGE Cn1ccnc1CCC(CBr)(CBr)c1cccc(Br)c1 124565217 VJORCGJDPBSTBP-UHFFFAOYSA-N 465.027 4.843 50 10 JJGE CCCCCCOc1ccc(/C=C2\C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1OC 214301317 VISFEEDHVFDUEB-PGMHBOJBSA-N 454.567 4.673 50 10 JJGE O=C(NC[C@H]1CCC[C@H]1CBr)c1ccc(Br)cc1Br 232479816 LZPLVWVIUZMTGB-VHSXEESVSA-N 454.000 4.753 50 10 JJGE COc1cc(C=NNC(=O)c2cccc(Cl)c2)ccc1Cn1nc(C)c(Br)c1C 252642947 ZRSFLTWKRYKOIW-UHFFFAOYSA-N 475.774 4.737 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccccc2OC(F)(F)F)C1 1614622258 KHLXGTFWTKPADK-YPMHNXCESA-N 471.257 4.971 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1c(Cl)cccc1Cl 1865685333 HCWAWSSNMVCOKV-ZDUSSCGKSA-N 452.223 4.811 50 10 JJGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865693761 YLMQSKKNASOOKP-OAQYLSRUSA-N 498.942 4.530 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccncc2)C(C#N)=C(N)O3)cc1 1865701798 FUUKBXHYJIJRJD-JOCHJYFZSA-N 469.932 4.874 50 10 JJGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706057 MMTDHSAABJWUHF-HXUWFJFHSA-N 467.888 4.803 50 10 JJGE CC1(C)[C@@H](Cl)CCCN1C(=O)c1cc(I)ccc1Br 1887608268 UKDOZAYVQKUREV-LBPRGKRZSA-N 456.549 4.676 50 10 JJGE Brc1cc(COC[C@H]2C[C@@H](Br)C2)ccc1I 1904374372 RHSCSDQTWNZBLR-AOOOYVTPSA-N 459.947 4.744 50 10 JJGE CC1(C)C[C@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(Br)c(CCl)c2)CO1 1915478463 AKGVJTXQTTWUFS-KRWDZBQOSA-N 472.832 4.946 50 10 JJGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 1916364730 OZJQHELWXBSUFM-CQSZACIVSA-N 467.212 4.594 50 10 JJGE Cc1cc(Br)ccc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)CBr 1995133180 YLNGUEBHSHDVKN-AWEZNQCLSA-N 461.219 4.732 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Br)sc2Br)[C@H](C)C[C@H]1Br 2032202466 PIWJQOTURIJSGM-ZXFLCMHBSA-N 460.029 4.907 50 10 JJGE Brc1cc2c(cc1[C@@H](Br)c1sncc1Br)OCCO2 2088927911 UCUPSKGKMQPALO-LLVKDONJSA-N 469.980 4.924 50 10 JJGE O=C(NC[C@@H]1CCC[C@H](Br)C1)c1c(Br)cccc1Br 2094088459 LGADKWFDKYEPGA-ZJUUUORDSA-N 454.000 4.895 50 10 JJGE Clc1nc(N2CCC[C@]3(CN(Cc4ccccc4)CCO3)C2)sc1CBr 2099101591 ABJIHWLBJMYNSM-IBGZPJMESA-N 456.837 4.563 50 10 JJGE O=C(N[C@@H](CBr)c1ccsc1)c1cc(Cl)ccc1I 2119038323 HYPDXDCNZBVVLU-LBPRGKRZSA-N 470.557 4.872 50 10 JJGE Cc1nn(C)c(Br)c1[C@@H](Br)[C@@H](C)c1ccncc1Br 2129262875 HCUPNKUBGAIULK-MADCSZMMSA-N 451.988 4.888 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2143972704 HPNWTPGOSXVNOX-PUYPPJJSSA-N 466.011 4.990 50 10 JJGE CC(C)(CCl)[C@H]1CCCN1C(=O)c1cc(Br)ccc1I 2155831704 RSHYLPLPHKIKRT-CYBMUJFWSA-N 470.576 4.923 50 10 JJGE O=S(=O)(c1ccc(CCl)cc1Br)N1CC2(CC(OCc3ccccc3)C2)C1 2165077673 HLFOTDULSKMFJT-UHFFFAOYSA-N 470.816 4.558 50 10 JJGE Cl[C@@H](c1cc(I)sn1)c1cc2c(cc1Br)OCCCO2 2176540797 WTHHBFPOTYRTNE-CYBMUJFWSA-N 486.556 5.000 50 10 JJGE CC1(C)CCCN(C(=O)c2ccc(I)c(Cl)c2)[C@H]1CBr 2185807991 POFPBNJCXBHREE-ZDUSSCGKSA-N 470.576 4.970 50 10 JJGE CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1CNC(=O)[C@H](Br)C1CCCC1 2194002175 FRFHYCIFGWCKHI-DOTOQJQBSA-N 457.434 4.652 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1c(Br)cccc1Br 2204578305 KATFKKPAUOYVFX-RBJBARPLSA-N 466.011 4.894 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](OCc2ccc(Cl)cc2Cl)[C@H](I)C1 2212515521 BLANFZJUIFEBFF-KGLIPLIRSA-N 472.150 4.933 50 10 JJGE Cc1ccc(C(=O)N[C@@H]2C[C@H](Br)CC(C)(C)C2)cc1I 2232833006 JMUFMHRLTWTRGX-QWHCGFSZSA-N 450.158 4.672 50 10 JJGE Cc1ccnc2c1nc(CCl)n2-c1ccc(Br)cc1I 2240010797 JULDVDMIGGPPTM-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE CN(Cc1ccc(I)cc1)c1nc(Cl)c(CBr)s1 2254412870 ZTEBXMLZVGOWOL-UHFFFAOYSA-N 457.562 4.932 50 10 JJGE C[C@H]1C[C@H](CBr)CCN1C(=O)c1ccc(Cl)c(I)c1 2268349001 FHWYQXBTIXFGLJ-VHSXEESVSA-N 456.549 4.580 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=CNc1ccc(Br)c(Cl)c1 2297506349 IQODUHYGYDNICC-UHFFFAOYSA-N 456.727 4.807 50 10 JJGE COc1cc(C=C(C#N)C(=O)Nc2ccc(F)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2297533885 YPHYCOHVLHZZBS-UHFFFAOYSA-N 478.392 4.989 50 10 JJGE CO[C@@H]1C[C@H](Br)C[C@H]1Cc1ccc(I)c(Br)c1 2306211512 RRVCVXYCBMMVNV-GIPNMCIBSA-N 473.974 4.785 50 10 JJGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccccc2C)c1 2314531402 ALNISOZRDQFLKO-UHFFFAOYSA-N 450.498 4.958 50 10 JJGE O=S(=O)(N[C@H](CCCl)COCc1ccccc1)c1ccc(Br)cc1Cl 2320660325 QMVPNXUVSOTRFA-OAHLLOKOSA-N 467.212 4.595 50 10 JJGE C[C@H]1C[C@@H](CBr)CN(Cc2ccc(I)c(Br)c2)C1 2325221607 HOHVASCPBYUADF-JQWIXIFHSA-N 487.017 4.907 50 10 JJGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3cccc(OC)c3OCc3ccc(F)cc3)nc2c1 2331046404 QWUSXCXSCULVOT-UHFFFAOYSA-N 485.471 4.913 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C(C)(C)S(C)(=O)=O 2339648481 LUYMPVYHMMZSDQ-NSHDSACASA-N 481.019 4.918 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CC[C@@H](Br)CC12CCC2 2365580966 AKCKKPSQMUWFSD-SNVBAGLBSA-N 468.560 4.867 50 10 JJGE Cn1ncc(Br)c1[C@H](Br)c1cc2c(cc1Br)OCCC2 2369639155 BIVSPYHJXHQQPB-CYBMUJFWSA-N 464.983 4.754 50 10 JJGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 10683664 DYRYRBISEJKSRM-AVRDEDQJSA-N 453.583 4.803 50 10 JJGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 14031608 UMAHTLTZRLKEIV-MRXNPFEDSA-N 493.357 4.749 50 10 JJGE N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)N1CCOCC1 33305467 KDZJXUBCPNFYDY-STZFKDTASA-N 477.358 4.947 50 10 JJGE Cc1c(Cl)cccc1Nc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1N 40701622 UJZWVLUNTOQNNQ-UHFFFAOYSA-N 467.744 4.593 50 10 JJGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)C(O)(c3ccccc3)c3ccccc3)o2)cc1 254406390 WMCCMCMJMXYMOK-UHFFFAOYSA-N 468.509 4.510 50 10 JJGE O=C(CCCCBr)Nc1cc(I)ccc1Br 300968948 PFMQZRNNALVTHG-UHFFFAOYSA-N 460.935 4.557 50 10 JJGE C=CCNc1ncc(C(=O)NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)s1 1135761603 CYPKAQQESAUVAD-UHFFFAOYSA-N 458.996 4.762 50 10 JJGE C=CCC1(O)CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)CC1 1645771743 CTEYSWAAJSHDBI-ZHZULCJRSA-N 457.496 4.950 50 10 JJGE COc1ccc(CC(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)cc1OC 1858906479 UXCUFCXERHJYGT-UHFFFAOYSA-N 477.542 4.747 50 10 JJGE Cc1ccc(O)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)c1 1865687242 MXUDDYYBNNQGQY-HSZRJFAPSA-N 452.489 4.970 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)ccc1OCCCc1ccccc1 1865697355 QJPXAYRISKKJDY-MHZLTWQESA-N 493.567 4.814 50 10 JJGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(OC)cc1 1865703690 ZIPJQKGCIKNHIH-IBGZPJMESA-N 470.451 4.907 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)ccc1O 1865706524 YMFUJKKYEQAGHQ-KRWDZBQOSA-N 476.842 4.536 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1OC 1865706929 IZBRTLHBSOCIOD-HXUWFJFHSA-N 484.478 4.802 50 10 JJGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 1865712461 ZASCJYWJVJKXKX-SANMLTNESA-N 464.525 4.987 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2[C@H](Br)CC[C@H]2C1 2027643590 UNOKTJUJIDOEPY-XLPZGREQSA-N 458.013 4.519 50 10 JJGE Cn1cc(Br)c(C[C@@H](CBr)Cc2ccccc2Br)n1 2087324584 ALHZPGKNXDUNRT-JTQLQIEISA-N 451.000 4.741 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Br)cc(Br)c2)CC[C@H]1CBr 2109034937 VMPVBNXAGHPSBO-ZJUUUORDSA-N 454.000 4.705 50 10 JJGE CN([C@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)cs1 2123228883 FVZUSDYVHGEKCK-FUHWJXTLSA-N 458.443 4.647 50 10 JJGE CC1(NC(=O)c2ccc(Br)cc2I)CCC(Cl)CC1 2142281621 SAYHPGJLUHMYFZ-UHFFFAOYSA-N 456.549 4.724 50 10 JJGE ClCCc1nc2cncc(Br)c2n1-c1ccc(I)cc1 2151788237 HQGIMZOMBNRLHO-UHFFFAOYSA-N 462.516 4.569 50 10 JJGE C[C@H]1CN(c2ncc(C(F)(F)F)cc2I)CC[C@H]1CBr 2165344545 PFFWVPIMVAJKBP-IUCAKERBSA-N 463.079 4.562 50 10 JJGE CCCN1CCC[C@H]([C@H](Br)c2cc(Br)c(Cl)s2)S1(=O)=O 2172562408 LHOFYCKLOGLZRY-GHMZBOCLSA-N 465.660 4.804 50 10 JJGE C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Cl)c(CBr)c2)CN1Cc1ccccc1 2179793289 RPRMWPODLARGLS-QAPCUYQASA-N 471.848 4.518 50 10 JJGE C[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2179862351 VFYMUFHSOCHSJF-AWEZNQCLSA-N 492.266 4.783 50 10 JJGE CC1CCC(CCl)(NC(=O)c2ccc(Br)cc2I)CC1 2207269906 XXJCXBIYXLLWFU-UHFFFAOYSA-N 470.576 4.971 50 10 JJGE C[C@@]1(CBr)C=CCCN1C(=O)c1ccc(I)c(Br)c1 2264382972 LUPYBKCPKUFDEA-AWEZNQCLSA-N 498.984 4.609 50 10 JJGE CC1CC(CBr)(CN2CC[C@@H](C(F)(F)F)C[C@@H]2CNC(=O)OC(C)(C)C)C1 2280053473 AMOZPMKFJWJLEG-NWPKHEMWSA-N 457.375 4.965 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1[C@H]2CC[C@@H](C2)[C@@H]1CBr 2295314039 SJFWGZQMIXPSOU-BPNCWPANSA-N 466.011 4.529 50 10 JJGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3cccc(C)c3)nc3ccccn3c2=O)cc1 2296720274 HXGBUEFBUNLYGH-UHFFFAOYSA-N 466.497 4.740 50 10 JJGE Brc1cc(CN2CCC[C@@H](Br)CC2)ccc1I 2306219506 MZJUZONWXYCWNI-LLVKDONJSA-N 472.990 4.803 50 10 JJGE CCN(C[C@](C)(CI)OC[C@](C)(F)C(C)(C)F)C(=O)OC(C)(C)C 2307651176 APZPICWQMPRTAG-IRXDYDNUSA-N 463.347 4.930 50 10 JJGE C[C@H](Oc1cccc(Br)c1)C(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1 2314760027 CPXMDGFUBLHKID-INIZCTEOSA-N 495.329 4.638 50 10 JJGE CC(C)(CI)CN1CC[C@@H](C(F)(F)F)C[C@@H]1CNC(=O)OC(C)(C)C 2326670324 UKDDVGJVDWIXQR-CHWSQXEVSA-N 478.337 4.615 50 10 JJGE CC(C)(C)OC(=O)NCC[C@@H](N(C[C@@]1(CBr)CC1(F)F)C1CC1)C(F)(F)F 2379985690 KANCZOYQHFDACU-DOMZBBRYSA-N 465.301 4.717 50 10 JJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)c(C)c2)c(Br)c1 14832182 KGPLKABMEIXQET-CYBMUJFWSA-N 483.790 4.530 50 10 JJGE N#C/C(=C\C1=C(N2CCOCC2)/C(=C\c2cccc([N+](=O)[O-])c2)CC1)C(=O)Nc1ccccc1F 33538355 UZIJVCHJJSDCHH-ANSNAQEKSA-N 474.492 4.586 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)c1 38650186 YFDPZEYFVHDJTA-VWLOTQADSA-N 456.498 4.515 50 10 JJGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1 38680216 URRAJFLNAUBDMJ-QHCPKHFHSA-N 464.880 4.990 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C=C\c1ccc(C)cc1 206396718 KFZOZJUFAUAIPN-ATONPSLQSA-N 452.510 4.846 50 10 JJGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C1=O 214256521 HFEFLLOYWUHBOW-PVFDWLMNSA-N 494.551 4.701 50 10 JJGE CCCC(C)=NNC(=O)CNc1c(Br)cc(Br)cc1Br 254737357 CXPOTTYRYGQWCA-UHFFFAOYSA-N 470.003 4.678 50 10 JJGE CCOc1ccc(-n2c(SCC(=O)NN=C(C)c3ccco3)nnc2-c2ccccc2)cc1 254822535 JINUGXWKXULKAD-UHFFFAOYSA-N 461.547 4.559 50 10 JJGE O=C(N[C@@H]1CCC[C@@H](CBr)C1)c1cc(Br)sc1Br 385058859 QKDCOUTXPCOERH-HTQZYQBOSA-N 460.029 4.957 50 10 JJGE BrCc1cc(Br)cc(I)c1Br 575694841 OQQKUGKSMBKMIY-UHFFFAOYSA-N 454.725 4.711 50 10 JJGE CC[C@H](c1ccc(OC)cc1)[C@H](c1ccc(OC)cc1)N(/N=C/c1ccccc1[N+](=O)[O-])C(=O)CN 585668973 HMNHULGZHRREIY-IPACDDDSSA-N 490.560 4.668 50 10 JJGE COc1cc(F)c(Br)cc1[C@H](Br)c1c(Br)cnn1C 693070932 OZCWVDUEMMYCQE-NSHDSACASA-N 456.935 4.577 50 10 JJGE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)NNC(=O)CCC(C)C)ccc1Cl 727349703 ZHRKUGAPCNUYSX-UHFFFAOYSA-N 498.432 4.572 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)OCc2csc(-c3cnn(C)c3)n2)c(C)n1-c1ccc(F)cc1 918956693 CFILCUHFZUWMEO-NVMNQCDNSA-N 461.522 4.741 50 10 JJGE COc1cc(Cl)c(C=NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1OC 1084583760 WPDIESYFMMQDEJ-UHFFFAOYSA-N 451.910 4.682 50 10 JJGE C#Cc1cccc(NC(=S)NNC(=O)c2ccccc2-c2ncc(-c3ccc(C)cc3)o2)c1 1651317797 SIINKFVDKSLLFR-UHFFFAOYSA-N 452.539 4.930 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865706005 LOFFRKMKRVVSBU-MRXNPFEDSA-N 475.814 4.730 50 10 JJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1 1865709185 QKQACIIXHHIVOJ-QHCPKHFHSA-N 462.509 4.853 50 10 JJGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 1873920462 GFZOAAXGMKBQQE-MNDPQUGUSA-N 490.497 4.514 50 10 JJGE CN(Cc1ccc(I)cc1)C[C@@H](Br)COCc1ccccc1 1916355049 PGKSNLJVTZIJMM-QGZVFWFLSA-N 474.180 4.703 50 10 JJGE C[C@@H](Br)C1CCN(C(=O)c2csc(Br)c2Br)CC1 2032953329 HLUXLSBYUOXXAU-SSDOTTSWSA-N 460.029 4.909 50 10 JJGE CC1(C)C[C@H](CBr)N(C(=O)c2scc(Br)c2Br)C1 2033721131 WWZLCWZXMYLXHW-SSDOTTSWSA-N 460.029 4.909 50 10 JJGE O=C(Cc1ccc(O)c(Br)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 2050362245 LXKBEXIIOZESIU-GOSISDBHSA-N 467.201 4.900 50 10 JJGE CCC[C@@H](Br)CCNC(=O)c1ccc(Br)cc1I 2086146420 ZMDHQTLJASPAOC-SECBINFHSA-N 488.989 4.737 50 10 JJGE CCN1CCC[C@H]([C@@H](Br)c2cc(Br)c(Br)s2)S1(=O)=O 2089534879 ILZIIPCGQXQJBO-ZJUUUORDSA-N 496.084 4.523 50 10 JJGE C[C@H](NC(=O)c1ccc(I)c(Cl)c1)[C@H]1CCC[C@H]1Br 2111557103 DYCAGVMOSBHAOO-JMJZKYOTSA-N 456.549 4.627 50 10 JJGE O=C(NC[C@H](Br)CC(F)(F)F)c1cc(Br)cc(Br)c1 2119065641 GHISRMUOSDXXRK-SECBINFHSA-N 467.905 4.657 50 10 JJGE FC1(F)C[C@]1(Br)Cn1c(CCl)nc2cc(I)ccc21 2137781935 XAOQQNRYOOSDBZ-NSHDSACASA-N 461.475 4.552 50 10 JJGE CC(C)([C@H](Br)c1cc(I)cc2c1OCC2)[C@H]1CCCO1 2149609335 IJORMYOWMZGACG-UKRRQHHQSA-N 451.142 4.867 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1[C@H](CBr)C[C@H]2CCC[C@@H]21 2164656156 KISJIHKLWDZIJV-PUYPPJJSSA-N 466.011 4.990 50 10 JJGE CC(C)(C)OC(=O)NCc1nc2c(s1)CCN(Cc1ccc(CBr)cc1)C2 2182844999 LFWAFCBCMUBJBI-UHFFFAOYSA-N 452.418 4.621 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](OC2CCC(C(F)(F)F)CC2)[C@H](I)C1 2217090086 FIDGAOUZVIZYSC-TUUUFIMRSA-N 463.278 4.547 50 10 JJGE CN(C(=O)c1csc(Br)c1Br)[C@@H](CBr)CC1CC1 2219028262 OKFQFFRKTFGDDF-MRVPVSSYSA-N 460.029 4.909 50 10 JJGE C[C@H](CBr)CC1CN(C(=O)c2cccc(Br)c2Br)C1 2230532470 PHHYXWIWPHDEIQ-VIFPVBQESA-N 454.000 4.705 50 10 JJGE CCOc1ccc(-c2csc(C(C#N)=CNc3cc(C(=O)OC)ccc3C(=O)OC)n2)cc1 2295937314 UDKOVKHLFSMFOJ-UHFFFAOYSA-N 463.515 4.759 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@]2(CCC[C@@H](CI)O2)[C@@H]1C(F)(F)F 2303942577 LHRZAGVWQXTLRV-YWPYICTPSA-N 463.278 4.691 50 10 JJGE FC1(F)C[C@@H](CBr)N(Cc2ccc(Cl)cc2I)C1 2318537493 FQIMKZROAMICQO-JTQLQIEISA-N 450.492 4.549 50 10 JJGE ClC[C@@H]1CN(Cc2ccc(I)c(Br)c2)CC12CCC2 2349843346 URFMSKDTVSETCA-GFCCVEGCSA-N 454.577 4.895 50 10 JJGE CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2)c(Br)cc1O 2774527 STEXOSBPSDOTLB-AFUMVMLFSA-N 482.334 4.570 50 10 JJGE O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccc(OC(=O)Cc3ccccc3)cc2)cc1 15775808 SOAMICPAKKKQLT-NJZRLIGZSA-N 491.547 4.780 50 10 JJGE N#C/C(C(N)=O)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 16758792 XHMMGUGEXPRMTN-HUCUOGIVSA-N 452.750 4.558 50 10 JJGE Cc1cccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2C)c2ccccc23)c1 20558707 YMLQRESTRCUIPQ-DEOSSOPVSA-N 469.566 4.830 50 10 JJGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCCc3ccccc3)c(Oc3ccc(Cl)cc3)nc12 33858932 UWCVQHMYOGQBRY-SILNSSARSA-N 484.943 4.715 50 10 JJGE COc1ccc(CCC(=O)N/N=C2\C(=O)N(Cc3cccc4ccccc34)c3ccccc32)c(O)c1 59165951 PEVOIBLORAXGKV-PNOGMODKSA-N 479.536 4.554 50 10 JJGE CN(Cc1csc(Br)c1)S(=O)(=O)c1cc(CCl)ccc1Br 91271276 NGRVNFQAQBJZKQ-UHFFFAOYSA-N 473.639 4.833 50 10 JJGE CCCCNC(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 100921945 JFXXETFENIQZAT-QCZZGDTMSA-N 460.048 4.589 50 10 JJGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C1=O 101332979 HAXDZGRNWCNBIK-HZHRSRAPSA-N 481.512 4.840 50 10 JJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C1=O 101335853 DYFQJLHGTYZDKV-JJIBRWJFSA-N 466.541 4.558 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 214380229 DBHSLCIJKDFUBJ-XKZIYDEJSA-N 453.454 4.956 50 10 JJGE COc1c(C)cc(Br)c(C)c1[C@H](Cl)c1cnn(C)c1I 381923986 PNUCHOHQNNAFKB-GFCCVEGCSA-N 469.548 4.741 50 10 JJGE COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)cc1Br 382685367 CYJCFWSALWFWRQ-CHWSQXEVSA-N 496.183 4.843 50 10 JJGE CC[C@H]1[C@@H](CBr)CCN1C(=O)c1ccc(I)c(Cl)c1 386210513 DGWDBUNIBYEALB-MFKMUULPSA-N 456.549 4.580 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](c2cccc(Br)c2O)[C@@H](CI)C1 394619207 LKWOSVYSBVBWTC-JQWIXIFHSA-N 482.156 4.540 50 10 JJGE O=C1Nc2cc(Cl)ccc2[C@@H]1C1CCN(S(=O)(=O)c2ccc(CCCCl)cc2)CC1 727464412 RKIOUELYWAWEBU-NRFANRHFSA-N 467.418 4.648 50 10 JJGE O=C(NN=Cc1cc(Br)c(N2CCCC2)o1)Nc1cccc(Br)c1 1084463494 GCAURKNUNSINCG-UHFFFAOYSA-N 456.138 4.560 50 10 JJGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1cc(Cl)ccc1O 1084655497 KDPAVRMTRWXZEU-UHFFFAOYSA-N 492.004 4.654 50 10 JJGE C[C@H](C(=O)N/N=C/c1ccccc1Cl)n1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 1615714313 YZMVASYUPLZKOX-WQDCGHENSA-N 490.795 4.742 50 10 JJGE CC(=O)c1ccc(O)c(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1 1633034726 WYVHXXDLSJKVGT-WQRHYEAKSA-N 459.893 4.571 50 10 JJGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1C(=NNC(=O)c1cccnc1)CCC2 1772746049 PYIPKXUGRZTNNT-OAHLLOKOSA-N 460.509 4.574 50 10 JJGE CCCc1ccc(OCC(=O)NN=Cc2ccc(OC(C)C)c(OC)c2)c(Br)c1 1772756274 RMQHEVXTBVNDOV-UHFFFAOYSA-N 463.372 4.727 50 10 JJGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)c1O 1865697240 YDZAAZVORWWJPB-GOSISDBHSA-N 487.741 4.529 50 10 JJGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865706715 DBIULYSMDRIQQY-LJQANCHMSA-N 471.344 4.733 50 10 JJGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865707711 DIQXGAIPPMXYPN-XMMPIXPASA-N 458.562 4.736 50 10 JJGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 1865757277 VNAGYQFKFQTQCN-MRXNPFEDSA-N 453.489 4.687 50 10 JJGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 1872747597 KWFNMCAUCAOSKS-JZJYNLBNSA-N 490.497 4.596 50 10 JJGE O=C(Cc1ccccc1I)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1915210321 SHGGHJZQCRFZPS-IBGZPJMESA-N 453.751 4.880 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@@]2(CCC[C@@H]2Br)C1 1918935540 FLQDXNJFJJEGAS-ZFWWWQNUSA-N 466.011 4.991 50 10 JJGE O=C(CBr)c1c(OC(F)(F)F)cc(I)cc1C(F)F 2060383677 DWHVNGLNCSKOPO-UHFFFAOYSA-N 458.946 4.705 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@H](Br)C2(CC2)C1 2093182199 FKSOXUFAOGEIOT-NSHDSACASA-N 451.984 4.601 50 10 JJGE C[C@H](Br)C[C@H]1CCCN1C(=O)c1c(Br)cccc1Br 2094089229 UKGOKVGIZRWIFX-VHSXEESVSA-N 454.000 4.990 50 10 JJGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2Br)CC[C@H]1CBr 2109036238 ZOIOITKUMFMVEB-ZJUUUORDSA-N 454.000 4.705 50 10 JJGE C[C@@H]1CN(C(=O)c2cccc(Br)c2Br)CC[C@H]1CBr 2109036871 WDWMFCMCUVZVFO-ZJUUUORDSA-N 454.000 4.705 50 10 JJGE Cn1nc(COc2c(F)cc(Br)cc2CBr)cc1Br 2111922156 FESZBPOOLAPRKB-UHFFFAOYSA-N 456.935 4.558 50 10 JJGE CN([C@@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)cs1 2123228882 FVZUSDYVHGEKCK-AEFFLSMTSA-N 458.443 4.647 50 10 JJGE C[C@H]1C[C@@H](Cl)[C@H](C)CN1C(=O)c1ccc(Br)cc1I 2142279828 VPEBTCMRQLLPOH-VDDIYKPWSA-N 456.549 4.532 50 10 JJGE C[C@H](Cl)CC(C)(C)CNC(=O)c1ccc(Br)cc1I 2142288310 RGQVIVQJZKRWES-VIFPVBQESA-N 458.565 4.827 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@@H](CBr)C(F)(F)C1 2146374839 FWFCMQUFKKLHNI-QMMMGPOBSA-N 475.953 4.704 50 10 JJGE CCN(CCCCBr)S(=O)(=O)c1cc(Br)c(C)cc1Br 2159113452 SKBIRAKUTXENLX-UHFFFAOYSA-N 492.071 4.706 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@@H](CCl)[C@@H](C(F)(F)F)C1 2163346031 YJHMVRDGYXLWJZ-VDTYLAMSSA-N 455.521 4.762 50 10 JJGE CC(C)(C)C[C@H](CBr)CNC(=O)c1cc(I)ccc1F 2169662028 IJTNANOMHVJOHA-SNVBAGLBSA-N 456.137 4.607 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CC[C@@H](Br)CC12CCC2 2169888037 NVHWPWYDOWATND-SNVBAGLBSA-N 468.560 4.867 50 10 JJGE CN(C1CCC(CBr)CC1)S(=O)(=O)c1cc(Cl)c(Br)s1 2171093313 AHLZQJOCFQMKQR-UHFFFAOYSA-N 465.660 4.738 50 10 JJGE CN([C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1cccc(CBr)c1 2179823330 IBIBIMNESBCRDW-WOJBJXKFSA-N 452.414 4.586 50 10 JJGE CC1(C)C[C@](C)(CCl)CN1C(=O)c1ccc(Br)cc1I 2207264185 BYJURCKKXRJQEJ-OAHLLOKOSA-N 470.576 4.923 50 10 JJGE CN(C[C@@H](Cl)C1CCCC1)C(=O)c1ccc(Br)cc1I 2207273337 UOVOKSQWJXFSIF-CYBMUJFWSA-N 470.576 4.923 50 10 JJGE O=C(NC[C@@]12CCC[C@]1(CCl)C2)c1ccc(Br)cc1I 2208036415 NDHJHKWGFVZKKW-CABCVRRESA-N 468.560 4.583 50 10 JJGE CC(C)N(CCCBr)C(=O)Cc1cc(Br)cc(Br)c1 2277931302 GSABQZASBIZYOP-UHFFFAOYSA-N 456.016 4.776 50 10 JJGE COc1ccc([C@H](Br)[C@@H]2OC[C@H]3CCCC[C@H]32)cc1I 2284998229 QBQOASNEKIKWPZ-AVRGHOLYSA-N 451.142 4.941 50 10 JJGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)cc1 2296719372 JAWJMFNSQSHDRY-UHFFFAOYSA-N 477.929 4.787 50 10 JJGE CC(C)c1ccc(OCC(=O)NNC(=O)C=Cc2cccc3ccccc23)c(Br)c1 2313625026 SVIVLEGWMLMESN-UHFFFAOYSA-N 467.363 4.965 50 10 JJGE CCOc1cc(C=C(C#N)c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1ccc(OC)cc1 2314433745 RXCQPBCDIDZIGY-UHFFFAOYSA-N 496.523 4.824 50 10 JJGE COc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2cc(C)cc(C)c2)nc2c(C)cccn2c1=O 2314533097 OMLYOIWINCLBGX-UHFFFAOYSA-N 480.524 4.966 50 10 JJGE COc1c(Cl)cc(C=NNC(=O)CSc2nc3ccccc3s2)c(OC)c1Cl 2323197047 FEFVTCSFPGDJHI-UHFFFAOYSA-N 456.376 4.863 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2CC[C@H]1[C@@H](Br)C2 2325304558 QIGLGVCJYCKUMD-ZKWXMUAHSA-N 458.013 4.661 50 10 JJGE O=C(COc1ccc(-c2ccccc2)cc1Br)NNC(=O)c1ccc(Cl)cc1 14642135 PUFRGSXEIWHBTM-UHFFFAOYSA-N 459.727 4.610 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C=C/c1ccc(F)cc1 40870009 DZHKBXNQLKNAHZ-PWGZALKNSA-N 456.473 4.676 50 10 JJGE CCCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)cc1OC 40947694 DYLQIWAIYNQXFG-OEAKJJBVSA-N 456.593 4.635 50 10 JJGE Cc1cc(C)cc(OCC(=O)N/N=C2\C(=O)N(Cc3cccc4ccccc34)c3ccccc32)c1 59421084 CXDDDONAPJPBMY-PNOGMODKSA-N 463.537 4.903 50 10 JJGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 101332237 AKMBCNORJCHCRQ-FOKLQQMPSA-N 452.558 4.562 50 10 JJGE CCOc1ccc(/C=C(/C#N)C(=O)N(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 207130566 VOUFRUBBKIGZNE-PGMHBOJBSA-N 476.554 4.731 50 10 JJGE CC(C)(CCCCl)CNC(=O)c1cc(I)ccc1Br 227920682 HXAYPGKNGPNYNO-UHFFFAOYSA-N 458.565 4.829 50 10 JJGE O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)C12CC3CC(CC(C3)C1)C2 253568860 LSTSVLDUNBREJF-ZVBGSRNCSA-N 456.178 4.584 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CCC(F)(F)[C@H](CBr)C1 403996971 UBHWYJUYURLJQO-MRVPVSSYSA-N 475.953 4.704 50 10 JJGE CC1(C)CN(C(=O)c2scc(Br)c2Br)CC[C@@H]1Br 705411103 WAPJFHKUIKKZJH-QMMMGPOBSA-N 460.029 4.909 50 10 JJGE O=C(NC[C@H]1CCC[C@H](Cl)C1)c1ccc(I)c(Br)c1 721614248 ADVQGYLPPQXHOY-ONGXEEELSA-N 456.549 4.581 50 10 JJGE CCn1c(CCNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)nc2ccccc21 744093032 ICXZBYJYGIFXNT-SILNSSARSA-N 497.990 4.753 50 10 JJGE COc1cc(Cl)c(C=NNC(=O)COc2ccc(C(C)C)cc2Br)cc1OC 1084501269 KDGLNEMCZUASEY-UHFFFAOYSA-N 469.763 4.772 50 10 JJGE C#C[C@H](NC(=O)NNc1ccc(Br)cc1Cl)c1ccc(Br)cc1 1564998841 CXWFROSSLTWPBM-AWEZNQCLSA-N 457.553 4.866 50 10 JJGE Cc1c(C(=O)NCCC(C)C)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772745245 VBNTVQZXYYKGHG-UHFFFAOYSA-N 460.372 4.597 50 10 JJGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3[nH]2)c1OCc1ccc(F)cc1 1772760569 VHALIBDSYYOYKB-UHFFFAOYSA-N 464.522 4.532 50 10 JJGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(OC)cc1 1865691368 QECMTRKYBUYDAR-IBGZPJMESA-N 468.435 4.683 50 10 JJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)c1 1865692897 PYDBOJBGIJAHAX-GOSISDBHSA-N 490.869 4.839 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)cc1 1865694774 BDIOYGGSXDVITG-NRFANRHFSA-N 452.917 4.903 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865710423 XTWYOKXBPRFGCL-QHCPKHFHSA-N 497.486 4.872 50 10 JJGE O=C(N[C@H](CBr)CC1CCCC1)c1ccc(F)cc1I 1926726503 DJXNTMFKCYMWJS-LBPRGKRZSA-N 454.121 4.504 50 10 JJGE O=C(NC[C@]1(F)C[C@@H](CBr)C1)c1csc(Br)c1Br 2049520584 SOIZEXMITOECJQ-JCJUMFQOSA-N 463.992 4.516 50 10 JJGE O=C(N[C@H](CBr)c1cscn1)c1cc(Br)sc1Br 2055478808 FJZFNYZIXSYCGV-ZCFIWIBFSA-N 475.025 4.596 50 10 JJGE COc1ccc(C)cc1-n1nc(CBr)c(I)c1C(F)(F)F 2079260422 CWIVNKSIKJNESM-UHFFFAOYSA-N 475.046 4.708 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H](Br)CC12CCC2 2099390994 CNPVSXAMNNKHBK-LBPRGKRZSA-N 451.984 4.744 50 10 JJGE CC1(C)CO[C@@H](CBr)CN1Cc1ccc(Br)cc1Br 2111240115 ZPHCPZHMRDRGFD-LBPRGKRZSA-N 456.016 4.586 50 10 JJGE CC(C)[S@](=O)(=NC[C@H](CBr)C(C)(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2126848566 DYXBGGKNCMLJPN-YPUXHCPYSA-N 453.487 4.929 50 10 JJGE O=S(=O)(c1ccc(CBr)c(Cl)c1)N1CCC[C@@H](OCc2ccccc2)C1 2129813692 FMUNFVRXDXBJNE-QGZVFWFLSA-N 458.805 4.605 50 10 JJGE ClC[C@H]1CN(c2ncc(I)cc2Br)CCC12CCC2 2133381490 IPGRNFNVSDDZFE-JTQLQIEISA-N 455.565 4.684 50 10 JJGE CC(C)(C)C[C@@H](CBr)CNC(=O)c1cccc(F)c1I 2156337241 SHYQDXFZYKNEPR-JTQLQIEISA-N 456.137 4.607 50 10 JJGE CC(C)(C)[C@H]1C[C@H](CBr)CN(C(=O)c2csc(I)c2)C1 2165001086 KBKMLXHMZOCYKZ-PWSUYJOCSA-N 470.214 4.872 50 10 JJGE Cc1sc(CBr)cc1S(=O)(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 2179824087 QQSQNNJZTXIKCT-GOSISDBHSA-N 471.486 4.627 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@H](CBr)C12CCC2 2190362265 CAQAJTWMZNWAGD-SNVBAGLBSA-N 466.011 4.991 50 10 JJGE Cn1ncc([C@H](Br)c2c(F)cc(F)c(Br)c2F)c1Br 2227804171 PXKGNUUMOZYXHC-QMMMGPOBSA-N 462.889 4.847 50 10 JJGE Cc1ncc2nc([C@@H](C)Cl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2n1 2271087892 HBMRNYJJXFYUPX-LJQANCHMSA-N 461.997 4.906 50 10 JJGE O=C(N[C@@]1(CCl)C[C@H]2CC[C@H]1C2)c1cc(I)ccc1Br 2283910791 GJVFXEYVMNRMAE-AMJWSMQMSA-N 468.560 4.581 50 10 JJGE CO[C@H]1C[C@H]([C@@H](Br)c2sc(Cl)cc2I)C[C@H]1OC 2316607831 WEKIBFMJWIVQBA-GPUHXXMPSA-N 465.578 4.882 50 10 JJGE CC(C)(CI)CN1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 2326669891 RAIGYHQCRNKKAA-DLBZAZTESA-N 464.432 4.807 50 10 JJGE Cc1ccccc1COc1ccccc1C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C 2328822746 MTRAWVXYFUWZNV-QFIPXVFZSA-N 453.583 4.964 50 10 JJGE CC(C)(CCCBr)CNC(=O)c1ccc(Cl)cc1I 2340057852 OJFGKDCDFZDWBY-UHFFFAOYSA-N 458.565 4.876 50 10 JJGE F[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(Cl)cc1I 2341014504 YURHRWCROHMUSQ-HBJVGIJOSA-N 458.540 4.783 50 10 JJGE O=C(NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1)c1ccc(Cl)cc1Cl 10510670 GEOCTVYJWWBWBB-UHFFFAOYSA-N 488.396 4.564 50 10 JJGE Cc1nc(C2CC2)nc2sc(C(=O)NNC(=O)c3cc(-c4ccccn4)nc4ccccc34)c(C)c12 31485976 XHNQVVGERGFPPT-UHFFFAOYSA-N 494.580 4.871 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)c1OC 38658967 XVELRRQAITXYAZ-QFIPXVFZSA-N 462.889 4.795 50 10 JJGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)c1 38678492 YXSDIGZDKDLHOX-QFIPXVFZSA-N 477.314 4.895 50 10 JJGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(SC)cc1 38682181 FRNDUDIGWWEZON-VWLOTQADSA-N 474.538 4.620 50 10 JJGE O=C(NNc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-])c1ccc(F)cc1 40583283 NZRSDBTYWZPWFB-UHFFFAOYSA-N 470.770 4.697 50 10 JJGE CCCOc1ccc(/C=N/NC(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1OC 40846965 XDJNRKJOBZBJIS-ZVHZXABRSA-N 459.568 4.757 50 10 JJGE CC(C)CNC(=O)c1cc2ccc(OC(=O)/C(C#N)=C/c3ccc(C(C)C)cc3)cc2oc1=O 40894288 QUCMMVYULBHQFT-SRZZPIQSSA-N 458.514 4.815 50 10 JJGE COc1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)c(OC)c1 40910783 WTGMFWYNIXZEOP-AFUMVMLFSA-N 469.335 4.662 50 10 JJGE CCCc1ccc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OCC)cc1 40929427 AOSCFFNHPVLCSX-PXLXIMEGSA-N 488.540 4.839 50 10 JJGE Cc1nn(C)c(COc2c(Br)cccc2CBr)c1Br 91324570 IESJCVPYNPNEGN-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4ccc(C(C)=O)cc4)o3)C2=O)cc1 101340013 BWYZEJVGTQXUIR-ZVHZXABRSA-N 466.493 4.950 50 10 JJGE Cc1c(C(=O)Nc2ccccc2F)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614631 JPPCYBFKZOAOGU-PNQUVVCRSA-N 497.342 4.969 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)c1OC 205648726 ZTDPGTWCARABQS-GPFJBENQSA-N 454.482 4.541 50 10 JJGE O=C(NC[C@H]1CCC[C@H]1CBr)c1cc(Br)sc1Br 232479767 ACJHUIDUKFXKOU-JGVFFNPUSA-N 460.029 4.814 50 10 JJGE O=c1[nH]c2ccc([C@H](Cl)c3cc(I)ccc3Br)cc2o1 236041368 QPPGMZBVMHJEAB-ZDUSSCGKSA-N 464.484 4.816 50 10 JJGE COc1cc(OC)c(C=NNC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1Br 252460448 FLVWXUARGFVTDN-HXUWFJFHSA-N 479.374 4.923 50 10 JJGE COc1ccccc1C=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1 254387076 NRQQXXOMXBOCKC-UHFFFAOYSA-N 471.586 4.802 50 10 JJGE CC1(C)C[C@@H](Cl)CCN(C(=O)c2cc(Br)ccc2I)C1 395364902 YQOOPOWAQQRSLF-NSHDSACASA-N 470.576 4.923 50 10 JJGE CN(C[C@H]1CCC[C@H]1Cl)C(=O)c1cc(Br)ccc1I 689329835 FXUHKFMZGSMFFV-BXKDBHETSA-N 456.549 4.533 50 10 JJGE Cn1cc(CC(CBr)(CBr)c2cccc(F)c2)c(Br)n1 714088985 MIPAHMDSCDFQRV-UHFFFAOYSA-N 468.990 4.592 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)c(C)n1-c1ccc(F)cc1 759075275 AODYLJZVLFCBDQ-TYYSXUNWSA-N 471.511 4.919 50 10 JJGE Cc1ccc(C(=O)Oc2ccc(C=NNC(=O)Cc3ccc(Br)cc3)cc2)cc1 1081098263 NIYNSIHFFVWPCD-UHFFFAOYSA-N 451.320 4.670 50 10 JJGE COc1ccc(Br)cc1C=NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 1082753804 MIPNGHGEOFRDNN-UHFFFAOYSA-N 466.335 4.782 50 10 JJGE CC1=C(C(=O)NN=Cc2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 1084192847 YQCXBZPVHHMHIM-QGZVFWFLSA-N 453.782 4.590 50 10 JJGE Cc1ccc(-c2csc3ncn(CC(=O)N/N=C/c4ccccc4C(F)(F)F)c(=O)c23)cc1 1860773414 YNFPSLAHEPEPKS-ORBVJSQLSA-N 470.476 4.603 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865713118 RCTXFULEPNDRBC-JOCHJYFZSA-N 467.460 4.864 50 10 JJGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 1865755597 HJKUTPZOVQFQBJ-UHFFFAOYSA-N 457.480 4.928 50 10 JJGE CC[C@H](NC(=O)CCc1nc(-c2ccc(OC)cc2)cs1)C(=O)Nc1ccc(SC#N)cc1 1867070926 ICFBLHKFOWFQJS-FQEVSTJZSA-N 480.615 4.858 50 10 JJGE Cn1nc([C@H](Br)c2sc(Cl)cc2I)cc1Cl 1901025382 GGWOSKWKZGCPQW-QMMMGPOBSA-N 451.942 4.877 50 10 JJGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(F)cc1I 1914229784 TTXLKUSCVAOXOH-LBPRGKRZSA-N 476.127 4.856 50 10 JJGE O=C(c1csc(Br)c1Br)N1CC[C@H](Br)C12CCC2 1914425696 JNWLNBSNPLLCCH-QMMMGPOBSA-N 458.013 4.805 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC2CC(C(F)(F)F)C2)C1 1947649912 FFCFRZGMKIQZPW-KOHJWAIASA-N 463.278 4.549 50 10 JJGE C[C@@H]1CC[C@H](CBr)N(C(=O)c2cc(Br)sc2Br)C1 2048050529 BEZVHZDWDOUFSB-HTQZYQBOSA-N 460.029 4.909 50 10 JJGE CCC[C@H](Br)c1cn(-c2ccc(Br)c(I)c2)nn1 2057427312 PBBOMNYTAMHWJF-JTQLQIEISA-N 484.961 4.871 50 10 JJGE COC[C@]12C[C@]([C@@H](Br)c3cc(Br)ccc3Br)(CO1)C2 2141160080 JPNKLAIMZHHFPO-IHRRRGAJSA-N 454.984 4.843 50 10 JJGE CC1(C)C[C@H](CCl)N(C(=O)c2ccc(Br)cc2I)C1 2142282805 IRWDXYZQQHTHBZ-SNVBAGLBSA-N 456.549 4.533 50 10 JJGE CC1(C)C[C@H](C[C@H](Br)c2cc(I)cc3c2OCC3)CO1 2159418603 GWMDGXNQGWLKRY-HZMBPMFUSA-N 451.142 4.867 50 10 JJGE Brc1ccc([C@@H](CI)OCCCN2CCCCC2)cc1 2175869227 AULJIEBHOVPLQV-MRXNPFEDSA-N 452.174 4.818 50 10 JJGE Cc1nn(C)c(Br)c1CN(C)c1ccc(CBr)cc1Br 2185788289 VQQMWTJUIXBPNV-UHFFFAOYSA-N 466.015 4.785 50 10 JJGE Cc1cc(C(=O)N[C@]2(CBr)CCC[C@H](C)C2)ccc1I 2207107616 RPYBEGZCFWBAAW-MEDUHNTESA-N 450.158 4.673 50 10 JJGE C[C@H](Br)CCCc1cn(Cc2ccc(I)c(Cl)c2)nn1 2208042432 DEOJYLYRLJFFQP-JTQLQIEISA-N 468.564 4.691 50 10 JJGE FC1(F)[C@@H]2COC[C@]21[C@H](Br)Cc1cc(Br)cc(Br)c1 2277954456 XEPSSGWSCHAEOK-IJLUTSLNSA-N 460.938 4.799 50 10 JJGE CC(C)(C)C1(O[C@](C)(CI)c2ccccc2Br)COC1 2288562744 QHRXGVFHCAMHJW-OAHLLOKOSA-N 453.158 4.931 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OCCOc1ccc(C)c(C)c1 2293140493 MFWRSABSAZPVGD-UHFFFAOYSA-N 456.542 4.993 50 10 JJGE O=C(NCCSCCCBr)c1scc(Br)c1Br 2299178682 BEZLUNVRZIOBLD-UHFFFAOYSA-N 466.058 4.521 50 10 JJGE COc1cc(C=C(C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(Br)cc1 2313568680 VXWWAJITOSVBPA-UHFFFAOYSA-N 494.183 4.794 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1 2313670486 ACXNOCGIGKFNFQ-UHFFFAOYSA-N 476.916 4.880 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(C)cc1C 2314737232 SQXAJOLCPBSCME-UHFFFAOYSA-N 470.525 4.520 50 10 JJGE N#CC(=C(O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2cccc3ccccc23)cs1 2331340085 RDLZEZWODPURRO-UHFFFAOYSA-N 482.477 4.960 50 10 JJGE Cl[C@@H]1C[C@H]2CC[C@H]1[C@@H](NCc1ccc(I)c(Br)c1)C2 2349831697 NTMZUOABJCOTAV-YYWQGFNFSA-N 454.577 4.939 50 10 JJGE Clc1ccc(I)cc1CN1CCC(OCCCBr)CC1 2380531603 RLKSHYFJWJRUCL-UHFFFAOYSA-N 472.592 4.711 50 10 JJGE CCC(C)(C)c1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 8905729 ZQQAQGCTQPGUBF-UHFFFAOYSA-N 480.392 4.626 50 10 JJGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 14668097 JLTCTOPMSSAUJC-OAHLLOKOSA-N 471.351 4.618 50 10 JJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)Cc2cccc3ccccc23)c(Br)c1 14832308 UUCOJNBOUMQZLU-MRXNPFEDSA-N 469.379 4.885 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)/C=C\c2ccccc2Cl)c(Br)c1 33561822 YBDLXISEFGLUNJ-FLIBITNWSA-N 465.775 4.640 50 10 JJGE COC(=O)c1c(NC(=O)[C@@]23CC[C@@](C)(C(=O)[C@H]2Br)C3(C)C)sc2c1CCCC2 35548659 GRWCMDXWQSJALU-PUCZYUMASA-N 468.413 4.511 50 10 JJGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OC)cc1 38650078 YIGWXASPWMPTKH-WGDIFIGCSA-N 470.525 4.849 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)c1OC 38658932 OHKRCKZDHSTUBF-SANMLTNESA-N 486.524 4.523 50 10 JJGE CNC(=O)/C(C#N)=C1\S[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(C)c(C)c1 101240761 LEAVMIBOWIVLMO-SBOLGIJOSA-N 460.386 4.783 50 10 JJGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)C1=O 101332793 YHCARFOBRDLTCA-WORIPGKHSA-N 478.552 4.865 50 10 JJGE CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 102976075 SQQCYHCTBYGNLX-TYSUYXETSA-N 466.777 4.819 50 10 JJGE O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)/C(=C/c1ccccc1)NC(=O)c1ccccc1 254379635 FOWCLWLRDSTESM-CLIDQISESA-N 480.480 4.776 50 10 JJGE COc1cc(OC)cc(C(=O)NN=C(C)CC(=O)Nc2cc3oc4ccccc4c3cc2OC)c1 254872742 WOYDIIRWLFZRJL-UHFFFAOYSA-N 475.501 4.746 50 10 JJGE Cc1cccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1[N+](=O)[O-] 725422621 HMGKBAAVAFUADE-AEFFLSMTSA-N 480.302 4.690 50 10 JJGE O=C(CCc1ccc2c(c1)OCO2)NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 1083906154 BSQVSPGWMBBZHA-UHFFFAOYSA-N 496.350 4.722 50 10 JJGE C=CCN(C)CCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C 1156668607 WFUYIXWOSSUPAD-QNGOZBTKSA-N 458.528 4.986 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865701587 YVRVLCGQTUQLEW-HXUWFJFHSA-N 495.377 4.823 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc(Cl)c1O 1865707567 ZVBGNJVMQVUFGY-MRXNPFEDSA-N 476.842 4.785 50 10 JJGE CC[C@](C)(NC(=O)Cc1nc(-c2ccc(OC)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866677526 FRTXGVHWJJVLLF-VWLOTQADSA-N 478.574 4.698 50 10 JJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc(-c3ccccc3)on2)cc1 1866824447 YGYYPFCUJQGGIE-JOCHJYFZSA-N 468.538 4.895 50 10 JJGE CC(C)(C)OC(=O)N[C@@H](CBr)Cc1ccc(Cl)cc1I 1892995596 QVNXNWJQORIQGQ-LLVKDONJSA-N 474.564 4.775 50 10 JJGE CC(C)(C)OC(=O)NCCCN(C[C@@H]1C[C@@H]1Br)c1cccc(Br)c1 1910167412 NBMGEMYSMSUTLI-BBRMVZONSA-N 462.226 4.954 50 10 JJGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(I)ccc1O 1915131215 UPUNGOLGJBVFOH-CYBMUJFWSA-N 488.163 4.813 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 2010826613 FCJTUEUXPBAURI-KZNAEPCWSA-N 475.721 4.518 50 10 JJGE Cc1cc(Br)c(C(=O)N(C)C[C@@H]2C[C@@H]2Br)cc1NC(=O)OC(C)(C)C 2076221467 XIKWDKQBEHFYET-AAEUAGOBSA-N 476.209 4.960 50 10 JJGE C[C@@H](n1nc(CBr)c(I)c1C(F)(F)F)C(F)(F)F 2079243454 VZQWBOSBFFUGOW-GSVOUGTGSA-N 450.946 4.525 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CC[C@H](CBr)C(F)(F)C1 2090183639 GCHHEKLELPOLDT-ZCFIWIBFSA-N 481.982 4.765 50 10 JJGE O=S(=O)(c1cc(F)ccc1CBr)N(CCC(F)(F)F)Cc1ccccc1 2123199189 OWWACNPYFCVEFQ-UHFFFAOYSA-N 454.283 4.864 50 10 JJGE BrCc1cc(Br)ccc1N1CC[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 2129050175 CGBUEWDOMIMDSA-LEWJYISDSA-N 480.244 4.824 50 10 JJGE C[C@]1(CCBr)CCN(C(=O)c2cc(Br)ccc2Br)C1 2131898389 FMZKDQADEJZWIH-AWEZNQCLSA-N 454.000 4.849 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CC[C@@H]2C[C@@H](Cl)CC[C@@H]21 2143974252 JSFLDVBIFBFTRS-BFVZDQMLSA-N 468.560 4.676 50 10 JJGE CN(c1ncc(C(F)(F)F)cc1I)C1(CCBr)CCC1 2205860840 OJZMAWCHKNGECP-UHFFFAOYSA-N 463.079 4.849 50 10 JJGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)Cc1ccccc1Br 2210632709 HQAXRORWORJJEX-AWEZNQCLSA-N 461.219 4.565 50 10 JJGE Cc1ccc(C(=O)N[C@@H](CBr)c2cccs2)cc1I 2224625188 FCWZUNYYSCKQLZ-LBPRGKRZSA-N 450.139 4.527 50 10 JJGE CC(C)(C)OC(=O)N[C@@H](CBr)C1CCC(NC(=O)OCc2ccccc2)CC1 2241899980 MGCQATGXSSOKDY-ABHNRTSZSA-N 455.393 4.760 50 10 JJGE FC(F)C1(CCl)CCN(c2ncc(I)cc2Br)CC1 2274098240 UISQTJXBBQFRFD-UHFFFAOYSA-N 465.507 4.539 50 10 JJGE FC1(F)[C@@H]2COC[C@]21[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277954454 XEPSSGWSCHAEOK-GRYCIOLGSA-N 460.938 4.799 50 10 JJGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(Cl)c2Cl)cc1 2297298847 GIRUMGXADFMVKL-UHFFFAOYSA-N 468.340 4.923 50 10 JJGE CCOc1cc(C=C(C#N)c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1ccc(F)cc1 2314433946 YCOYIAHQKIMLMW-UHFFFAOYSA-N 484.487 4.955 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(O)c(OC)c2)sc2c1CC[C@@H](CC)C2 2314572131 UBNILXUPSWDJPS-CQSZACIVSA-N 454.548 4.700 50 10 JJGE C=CCn1c(SCC(=O)NN=Cc2ccc(O)cc2)nc2scc(-c3ccc(C)cc3)c2c1=O 2318356194 PMVVKYVUHQZYBX-UHFFFAOYSA-N 490.610 4.567 50 10 JJGE C=CC[C@H](Br)[C@@H]1CCN1Cc1ccc(I)c(Br)c1 2325212457 DYVTUNAJDLIELH-FZMZJTMJSA-N 485.001 4.968 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@@H](Br)[C@H]2CC[C@H]21 2331940976 POTLZWVZRLVQRF-KBVBSXBZSA-N 451.984 4.600 50 10 JJGE CC(C)[C@@H]1C[C@@H](Br)CN1C(=O)c1cc(Br)ccc1Br 2344609925 AJUNXXHUBGEBGI-MFKMUULPSA-N 454.000 4.846 50 10 JJGE FC(F)(CI)C(F)(F)CN=c1[nH]c2ccc(Br)cc2s1 2361676476 HAAUXYRODQKLCR-UHFFFAOYSA-N 483.066 4.598 50 10 JJGE CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 9873710 AFJXOYRFXVIPDP-RTBURBONSA-N 459.546 4.681 50 10 JJGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)N/N=C\c1cccc(OCc2ccccc2)c1 31829176 MADMFBOYGHWWAD-MNDYBZJGSA-N 494.576 4.854 50 10 JJGE CNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 35446053 MPJTUPCGYASHDB-STZFKDTASA-N 452.489 4.910 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC)C(=O)C(C#N)=C2C)cc1 38603118 NOMDKPWLYIIGQP-LFVJCYFKSA-N 466.541 4.940 50 10 JJGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(SC)cc2)cc1 38682340 GXTXOBFQTMVWAC-VWLOTQADSA-N 474.538 4.620 50 10 JJGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccccc1F 58888166 RXTKKQFFUOMPOQ-MPTKSEEOSA-N 450.510 4.767 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(Br)c(OCC)cc2OCC)cc1 58894683 VPSRRFDQKJCKGO-RASHHNMQSA-N 493.398 4.609 50 10 JJGE O=C(N/N=C/c1ccc(OCc2ccccc2F)cc1)C(O)(c1ccccc1)c1ccccc1 59922160 NYASJRRRCTXBND-NDZAJKAJSA-N 454.501 4.791 50 10 JJGE CN(C)c1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)cc1 73747848 UMVLPHYXLNNFFD-MFKUBSTISA-N 465.351 4.531 50 10 JJGE CN1C(=C(C#N)C(=O)CCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)N(C)c2ccccc21 108775259 SQHDYKFGBJGFSZ-UHFFFAOYSA-N 497.521 4.915 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@H]2CCCCl)cc1Br 155819743 XOWSSKAUJGPNPZ-NSHDSACASA-N 459.631 4.692 50 10 JJGE CC(C)(C)C[C@H](Cl)CNC(=O)c1cc(I)ccc1Br 232492462 SBELWOWPVQPLAM-VIFPVBQESA-N 458.565 4.827 50 10 JJGE CCOc1cc(C=NNC(=O)c2cc3ccccc3cc2O)ccc1OC(=O)c1cccs1 254763498 ZUVIYDZHCMMRGH-UHFFFAOYSA-N 460.511 4.989 50 10 JJGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NN=Cc1ccc3cccc(OCc4ccccc4)c3n1)C[C@H]2O 256022843 WKOYNEJFVBVSOE-QPVYNBJUSA-N 457.574 4.841 50 10 JJGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2CC[C@@H](Cl)C[C@H]2C1 398803421 SABQCAHLIPROKQ-JBLDHEPKSA-N 468.560 4.533 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c(C)n1C1CCCCC1 728088584 KKYDGYALYZTNOE-UMUMUWHJSA-N 475.545 4.663 50 10 JJGE Cc1ccc(C=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 1083880265 FAZJVCGJLYVUHO-UHFFFAOYSA-N 490.412 4.956 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)cc1 1084124477 KCPJPZXHDZGTQU-AREMUKBSSA-N 491.588 4.552 50 10 JJGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=C(C)c1ccccc1O 1084298947 JPQOZCVXTBEIAT-UHFFFAOYSA-N 486.601 4.568 50 10 JJGE O=C(CCCNc1ccc(Cl)cc1)NN=Cc1cc(Br)cc(Br)c1O 1084620428 YIMDUFUJAUVTGQ-UHFFFAOYSA-N 489.595 4.913 50 10 JJGE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 1564675938 YMAFNBKJDXJHJK-WIYYLYMNSA-N 459.999 4.558 50 10 JJGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Cl)CCC3)cc1 1772744000 NYQNNXNEZOLHQI-UHFFFAOYSA-N 480.904 4.718 50 10 JJGE CCOc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(OC)cc1)CCC2 1772746337 UTDVCGQCZHGURC-UHFFFAOYSA-N 461.518 4.718 50 10 JJGE CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C 1848438138 SATPXNWCXPQIRE-AWBSVRSOSA-N 476.730 4.811 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2)cc(Br)c1O 1865688649 XVBIFJMYPIKERN-LJQANCHMSA-N 481.350 4.520 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccccn2)C(C#N)=C(N)O3)cc1 1865700638 ZWZJUNGPRODAOT-JOCHJYFZSA-N 469.932 4.874 50 10 JJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCCOC)cc2)sc2c1CC[C@@H](C)C2 1866215356 QNLPDALMKKMLGS-WDMNMGCXSA-N 468.575 4.620 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C/c3cc4c(cc3[N+](=O)[O-])OCCO4)n2)c(OC)c1 1872793762 RLMNRDOBQIEZFX-VGOFMYFVSA-N 451.460 4.571 50 10 JJGE Cn1cc(Br)c([C@@H](Br)c2sc(Cl)cc2I)n1 1900923832 FKNICJGVHWHYMH-SSDOTTSWSA-N 496.393 4.986 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 1902124118 FGSNPHNSABYLIM-IAGOWNOFSA-N 463.710 4.566 50 10 JJGE Cc1ccc(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)c(Br)c1 1916386491 LOSUOOADXJLKFA-MRXNPFEDSA-N 455.190 4.810 50 10 JJGE BrC[C@@H]1CCCCCN1c1ncc(I)cc1Br 2015757653 VURQLJVKMWVVHM-JTQLQIEISA-N 473.978 4.593 50 10 JJGE C[C@@]1(CBr)CCCCN1c1ncc(I)cc1Br 2015763300 WTPRPULGEBNRLH-LBPRGKRZSA-N 473.978 4.593 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H](CBr)C2(CC2)C1 2027530859 UAOGWVDGVHJQTQ-ZETCQYMHSA-N 458.013 4.520 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CCC2(CC(Br)C2)C1 2053732360 FAWACGUJUHQDOT-UHFFFAOYSA-N 458.013 4.663 50 10 JJGE CCC[C@@H](Br)c1cn(-c2cc(I)ccc2Br)nn1 2057426758 IWXJCSKIOFGSBL-SECBINFHSA-N 484.961 4.871 50 10 JJGE CC[C@H](Br)[C@H]1CCCCN1c1ncc(I)cc1Br 2069528903 MTBACFNDMKIPNU-CMPLNLGQSA-N 488.005 4.981 50 10 JJGE C[C@]1(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CCC[C@H]1Br 2182704511 GLAREECHIVTMNS-PWSUYJOCSA-N 466.022 4.740 50 10 JJGE O=C(c1c(Br)cccc1Br)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Br)C2 2190669312 BMUGAVHDJXFDHD-HKDSHFDBSA-N 469.974 4.690 50 10 JJGE CC1(C)CCN(C(=O)c2ccc(Br)cc2I)C[C@H]1CCl 2207264976 LRCHTBUBXZCMLM-SNVBAGLBSA-N 470.576 4.781 50 10 JJGE C[C@@H]1C[C@@H](Br)[C@@H](C)N(C(=O)c2ccc(I)c(Cl)c2)C1 2227594758 OIXYWSBZEAAHRE-FXPVBKGRSA-N 456.549 4.579 50 10 JJGE N#CC(=Cc1c(N2CCC(Cc3ccccc3)CC2)nc2ccccn2c1=O)C(=O)NC1CCCCC1 2296846674 PUAPUMPASCOCJD-UHFFFAOYSA-N 495.627 4.509 50 10 JJGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(C)c(C)c1 2314593664 QQBKOOJHVUMLEG-OAQYLSRUSA-N 451.979 4.685 50 10 JJGE CC(C)(CI)CN1CC[C@@](NC(=O)OC(C)(C)C)(c2ccccc2)C1 2326677890 VRPJRZXBLNOXOK-FQEVSTJZSA-N 458.384 4.574 50 10 JJGE ClC[C@@]12CCC[C@]1(CNCc1ccc(I)c(Br)c1)C2 2349836514 QGKMLHCJERKLHP-LSDHHAIUSA-N 454.577 4.943 50 10 JJGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1OCc1ccccc1 14668095 USXDXGVCTJCJNU-UHFFFAOYSA-N 483.362 4.890 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)c(C)c1 38602881 VSUYCZOHXFKRKF-BUVRLJJBSA-N 466.541 4.859 50 10 JJGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2)cc1 38650397 KQDYCUOYARAJPJ-QLXKLKPCSA-N 470.525 4.849 50 10 JJGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2)cc1Cl 38688106 URPYMQUYMPQBSQ-QFIPXVFZSA-N 450.853 4.925 50 10 JJGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O 101335813 HLAKQARNJIEPHA-FYJGNVAPSA-N 480.948 4.556 50 10 JJGE O=C(COc1ccccc1)NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 254519682 JMHDDXWRFHCPSX-UHFFFAOYSA-N 494.503 4.654 50 10 JJGE COc1cc(C=NNC(=O)CNc2cccc3ccccc23)ccc1OC(=O)c1ccccc1 254825968 BRZCLACCUPXCIG-UHFFFAOYSA-N 453.498 4.630 50 10 JJGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NN=C(C)c2cccc3ccccc23)c1 254836114 MLMQINJPSCLDGD-UHFFFAOYSA-N 473.554 4.803 50 10 JJGE CC1(C)CN(C(=O)c2cc(Br)cc(Br)c2)CC[C@@H]1Br 394200515 PAMOLDIDDREVCJ-LBPRGKRZSA-N 454.000 4.847 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@@H](C)C1Br 688082584 GAHBJUOKEKWDIE-RKDXNWHRSA-N 454.000 4.703 50 10 JJGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc2c(c1)OCO2 1083905492 FQIZDSJAMWAHFG-OAQYLSRUSA-N 496.947 4.620 50 10 JJGE CCOc1cc(C=NNC(=O)[C@@H]2COc3ccccc3O2)ccc1OCc1cccc(Cl)c1 1084257281 NIMLPKAXABYSES-DEOSSOPVSA-N 466.921 4.608 50 10 JJGE C=CCSc1ccccc1C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 1587477611 DIIQPNBOIUIFDG-UHFFFAOYSA-N 454.555 4.892 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2C)ccc1OCCc1ccccc1 1772753721 FBKVAGOELBVJPX-UHFFFAOYSA-N 452.938 4.808 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)ccc1OCc1ccccc1 1865694457 VRUREBGTRDXLCA-LJQANCHMSA-N 470.451 4.635 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)ccc1OC(=O)c1ccccc1 1865705161 NQZJUKKJPICFCB-SANMLTNESA-N 492.535 4.935 50 10 JJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865709116 ODZKGZWFJGCBOF-FQEVSTJZSA-N 469.328 4.551 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 1865709922 KDFYFTBTUMMPBY-JOCHJYFZSA-N 467.460 4.864 50 10 JJGE CCCOc1ccc(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)cc1 1865759751 QFAZLOCIWBYXIX-AWNIVKPZSA-N 451.473 4.598 50 10 JJGE C[C@@H]1c2ccc(CNC(=O)/C(C#N)=C/c3ccc(Br)cc3)n2CCN1C(=O)OC(C)(C)C 1866128719 IHLVIUSPRFOVRO-APVMCDBPSA-N 499.409 4.786 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H]1C[C@H]1Br 1877390441 OQSWPIPGVJBSJH-YBERMKTASA-N 485.422 4.839 50 10 JJGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC(Br)C1 1882559176 RHVNFMLNFVOYEN-WTOQYCPUSA-N 471.395 4.592 50 10 JJGE BrC[C@H](COc1cc(Br)cc(I)c1)C1CC1 1900984936 GCGPJPXZSPWINH-SECBINFHSA-N 459.947 4.854 50 10 JJGE O=C(NCC[C@H]1CCC[C@H]1Br)c1cc(Br)ccc1Br 1913719906 ACNQERDURQOGOE-BXKDBHETSA-N 454.000 4.895 50 10 JJGE CC1(C)CN(c2ncc(C(F)(F)F)cc2I)C[C@H]1CBr 1914529270 POUBVAVHDUBPAW-SECBINFHSA-N 463.079 4.562 50 10 JJGE CN(C[C@H](Br)COCc1ccccc1)C(=O)COc1ccc(Cl)cc1Cl 1916384188 XQWPCXSBYBLVDY-HNNXBMFYSA-N 461.183 4.811 50 10 JJGE CC(C)(C)OC(=O)N1CCN(C[C@@H](CBr)c2ccccc2)CCN1C(=O)OC(C)(C)C 1999500439 FKUPCZGHHVTMSC-LJQANCHMSA-N 498.462 4.870 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCN(C(=O)OC(C)(C)C)CCC1(F)F 2010827622 UHEAWXRPQLHVLP-OAHLLOKOSA-N 485.663 4.517 50 10 JJGE Cc1cc(C=C(C#N)C(=O)Nc2nccs2)c(C)n1-c1ccc(I)cc1 2040447854 XWFYMZSXBCSBOD-UHFFFAOYSA-N 474.327 4.701 50 10 JJGE CC[C@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@@H]1CBr 2084898250 JERDWWNUBUIGPO-YUMQZZPRSA-N 460.029 4.766 50 10 JJGE C[C@@H]1CCCN(C(=O)c2c(Br)cccc2Br)[C@@H]1CBr 2094096486 YFPZIOYVNLGBMH-BXKDBHETSA-N 454.000 4.847 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CCC[C@@](F)(CBr)C1 2101309058 WUQFKVWWFLYKJX-CYBMUJFWSA-N 457.963 4.551 50 10 JJGE COc1cc(F)c([C@@H](Br)c2cnn(C)c2Br)cc1Br 2138161714 RLOABKNJDBHPBJ-LLVKDONJSA-N 456.935 4.577 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N(CCCl)Cc1cccs1 2171086880 JUNUKJMHUJJWCV-UHFFFAOYSA-N 484.584 4.996 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@@H](Br)C2(CCCC2)C1 2174377789 XPZYHKYMPADMDD-GFCCVEGCSA-N 466.011 4.991 50 10 JJGE O=C(NC[C@H]1C[C@H](Br)C1)c1c[nH]c2cc(Br)c(Br)cc12 2196901373 JOBLWJJLMCJWDE-ZKCHVHJHSA-N 464.983 4.596 50 10 JJGE O=S1(=O)C[C@@H]2CCC[C@@]2([C@H](Br)c2ccc(Br)cc2Br)C1 2203687074 PAQFJXAGBKEMJA-CUOATXAZSA-N 487.051 4.863 50 10 JJGE Cc1cc(C(=O)N2CCCC[C@H]2C[C@@H](C)Br)ccc1I 2207107869 TUMHLGBMMIGOIR-OCCSQVGLSA-N 450.158 4.768 50 10 JJGE O=C(c1sccc1I)N1C[C@H](Br)C[C@@H]2CCCC[C@@H]21 2264832523 UYEMAYBBZZIYPZ-UMNHJUIQSA-N 454.171 4.521 50 10 JJGE CCc1nn(C)c([C@H](Br)c2ccc(OC)c(I)c2)c1Cl 2285008229 JUGCJNWDYLLRMH-GFCCVEGCSA-N 469.548 4.733 50 10 JJGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2F)c(Br)c(Br)c1O 2294187421 MNGMCYJHMWJUKC-UHFFFAOYSA-N 470.092 4.611 50 10 JJGE N=[S@@](=O)(C[C@H]1C[C@H](Br)C1)c1cc(I)ccc1Br 2300843194 ZXAFOULYMHDFIB-GMJGCRJXSA-N 493.002 4.633 50 10 JJGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 2313567910 PNFVDEMOJVLNPA-UHFFFAOYSA-N 488.975 4.702 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCCC)c(OC)c2)c(OC)c1 2314777656 OVHJATYWWYZAMQ-UHFFFAOYSA-N 492.572 4.935 50 10 JJGE C[C@@H]([C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)S(C)(=O)=O 2315450211 ZSJTXLOSZNXWKG-NVNXEXLPSA-N 487.410 4.873 50 10 JJGE COc1ncc(Br)c(C)c1CC(CBr)(CBr)C1CC1 2342318637 GBAILKZTWQWRIF-UHFFFAOYSA-N 456.016 4.890 50 10 JJGE CC1(C)C[C@H](CBr)CN(C(=O)c2ccc(Cl)cc2I)C1 2365581840 JVLJTVGYJVUBTQ-SNVBAGLBSA-N 470.576 4.828 50 10 JJGE COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 10736928 MQZOMNPCRWQEOC-UHFFFAOYSA-N 466.541 4.729 50 10 JJGE Cc1cc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)cc(C)c1Cl 14650644 GTJNXLXAPQJFIL-UHFFFAOYSA-N 497.817 4.984 50 10 JJGE CCOc1cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc(Br)c1OC 33406484 FKZOTZMDCJKPRE-DHDCSXOGSA-N 464.323 4.560 50 10 JJGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccccc2)c1C 33554617 GCCSZPFHKUGXOL-QNGOZBTKSA-N 471.538 4.750 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-])c1ccccc1Cl 40591517 JBRNCNBLUDZRSC-UHFFFAOYSA-N 453.673 4.846 50 10 JJGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/NC(=O)c1ccncc1)CCC2 40814005 SPJLNNGPSNSCHZ-JJKYIXSRSA-N 479.540 4.937 50 10 JJGE O=C(N/N=C/c1cc(Br)c(N2CCCC2)o1)Nc1cccc(Br)c1 59249961 GCAURKNUNSINCG-VXLYETTFSA-N 456.138 4.560 50 10 JJGE O=C(Nc1nc(-c2cccs2)cs1)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1 100500201 ZLDWVHWZXOZBCH-UHFFFAOYSA-N 490.459 4.592 50 10 JJGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2)c(OC)c1 206236661 XSWPKEYBZJPYOD-JCMHNJIXSA-N 457.482 4.817 50 10 JJGE CCCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(N)=O)cc2OC)cc1OC 206505098 FGBYDBSLJHIVIM-YJXVQIIVSA-N 478.545 4.674 50 10 JJGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)C1=O 214217725 YHCARFOBRDLTCA-XHFXOGKZSA-N 478.552 4.865 50 10 JJGE CC(C)(C)C[C@H](Br)CNS(=O)(=O)c1cc(Br)ccc1Br 226266944 ZQKBJQJTJBQZNK-JTQLQIEISA-N 492.071 4.690 50 10 JJGE CC(C)[C@H](CCBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 231175993 ZSVLBIGVQZOALO-NSHDSACASA-N 468.038 4.844 50 10 JJGE O=C(N[C@@H]1CCCC[C@H]1CBr)c1cc(Cl)ccc1I 231614437 RBSHDNPGKIZMEB-TVQRCGJNSA-N 456.549 4.628 50 10 JJGE Cc1cccc(C(=O)NC[C@H]2CCCC[C@@H]2CBr)c1I 235925474 ICTCSVRQVUGWGM-CHWSQXEVSA-N 450.158 4.531 50 10 JJGE CCOc1cc(C=NNC(=O)c2ccc(OC)cc2)cc(Cl)c1OC(=O)c1ccc(OC)cc1 252611539 IKMKISPDPZRPSX-UHFFFAOYSA-N 482.920 4.739 50 10 JJGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2)cc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 254398391 MATZHVMTRBTCBZ-RGNUTHIZSA-N 495.560 4.889 50 10 JJGE O=C(NN=Cc1ccccc1OCc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 254696987 HVKHXIDPARSDRE-UHFFFAOYSA-N 479.536 4.933 50 10 JJGE CC(C)(C)c1ccc(C=NNC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)cc1 254867073 IODSNZKTFZJZKL-UQKCPXHGSA-N 470.529 4.814 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2cc(Br)ccc2O)C1 382711595 HKWKEKMUYPZSAG-PBHICJAKSA-N 469.173 4.902 50 10 JJGE C[C@@H](Br)[C@@H]1CCCN(C(=O)c2cc(Br)ccc2Br)C1 689044001 QFLYBCDBBCNYLF-NXEZZACHSA-N 454.000 4.847 50 10 JJGE C[C@@H](Br)C1CCN(C(=O)c2scc(Br)c2Br)CC1 705409616 MZPIQUVNAVJMGD-SSDOTTSWSA-N 460.029 4.909 50 10 JJGE Fc1ccc(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)c(CBr)c1Cl 705736572 YVNQFEWTKXEYGD-WOJBJXKFSA-N 453.783 4.854 50 10 JJGE O=C(NC[C@H]1CCCC[C@H]1CCl)c1ccc(I)c(Br)c1 721572647 MLYLJOXQZGMOQL-NWDGAFQWSA-N 470.576 4.829 50 10 JJGE Cc1ccc(NC(=O)C(=O)NN=Cc2cccc(OCc3c(Cl)cccc3Cl)c2)cc1 1083955993 QWQQKSUEMLQRBV-UHFFFAOYSA-N 456.329 4.970 50 10 JJGE Cc1cc(C=NNC(=O)CC(=O)NCc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 1083997990 MVFREPLZNWOZIT-UHFFFAOYSA-N 457.361 4.558 50 10 JJGE C=CC[C@@]1(C(=O)NNc2ccc(Br)cc2Cl)CCCN1C(=O)OC(C)(C)C 1468630206 ZNGFBLKHGPOCEY-IBGZPJMESA-N 458.784 4.891 50 10 JJGE CCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)c(OC)c2)c(OCC)c1 1772720458 OWALFBBURQJFFD-UHFFFAOYSA-N 456.539 4.742 50 10 JJGE Cc1ccc2c(c1)C(=NNC(=O)CCCCCNC(=O)c1ccccc1Cl)C(=O)N2CCC(C)C 1772720693 RWONQAKUBHAARN-UHFFFAOYSA-N 497.039 4.852 50 10 JJGE COc1ccc(C)cc1S(=O)(=O)NNC(=O)c1ccc(-c2ccc3ccccc3c2)s1 1860405099 APAILZUYZSLJAY-UHFFFAOYSA-N 452.557 4.509 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1OC 1865706785 FMQHIMYSBIPEOK-XMMPIXPASA-N 464.525 4.834 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)c(OC)c1OC 1872759533 RKEKVJRSXLZMIQ-CYVLTUHYSA-N 498.473 4.911 50 10 JJGE BrCc1cc(Br)c(OC[C@@H]2C[C@]23CCOC3)c(Br)c1 1894788577 JHKYJYLAHKZFMZ-HZMBPMFUSA-N 454.984 4.912 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@H](Br)CCc1ccc(F)cc1Br 1905343559 PSFFLUGGRXGXTL-GFCCVEGCSA-N 455.121 4.581 50 10 JJGE N#CC(=Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)c1nc2ccccc2s1 2040447516 UENMAAZVKYTARE-UHFFFAOYSA-N 477.567 4.641 50 10 JJGE O=C(N[C@@H](CBr)c1cscn1)c1c(Br)cccc1Br 2119039973 POYTUNUBJYCYPO-VIFPVBQESA-N 468.996 4.534 50 10 JJGE CC1(C)[C@@H](NC(=O)c2cc(Cl)ccc2I)CC[C@H]1Br 2142132106 DPPFCQODYWJYOL-NEPJUHHUSA-N 456.549 4.627 50 10 JJGE Brc1ccc(Br)c(C[C@]23CO[C@](CI)(C2)C3)c1 2216261618 IPWUMUYTIXDHRC-BETUJISGSA-N 471.958 4.738 50 10 JJGE Cc1cc(Br)c([C@H](Br)C2[C@H]3CS(=O)(=O)C[C@H]23)c(C)c1Br 2235604444 NRSCHAFGGGDQDI-FZNYLWTLSA-N 487.051 4.555 50 10 JJGE CC(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1ccc(Cl)c(I)c1 2268341722 QKKKULQOFQDTAG-GXFFZTMASA-N 456.549 4.579 50 10 JJGE CC(C)[C@@H](Br)[C@H](C)NC(=O)Cc1cc(Br)cc(Br)c1 2277923351 FICZGYCJMHBNCA-LKFCYVNXSA-N 456.016 4.678 50 10 JJGE CC(C)(CBr)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(I)c1 2283663055 SUWQWZDFNRBWHL-ZDUSSCGKSA-N 470.576 4.970 50 10 JJGE C[C@@H]1C[C@@H](Br)CCN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295309943 PWAJTYOUYRHZAW-PWSUYJOCSA-N 468.027 4.776 50 10 JJGE C[C@H](Br)[C@H]1CCCCN1C(=O)Cc1cc(Br)cc(Br)c1 2295317811 RLORLGPQRIECTK-IINYFYTJSA-N 468.027 4.919 50 10 JJGE N#CC(=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)Nc1cccc(C(=O)O)c1 2297559906 TZWVAUDIDANCPL-UHFFFAOYSA-N 474.385 4.539 50 10 JJGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cc(C)ccc2C(C)C)c(OCC)c1 2314735945 KWYAXCCKEJEJGX-UHFFFAOYSA-N 451.519 4.972 50 10 JJGE Cc1nn(C)c(Oc2cc(Br)cc(I)c2)c1CBr 2316847632 QUVIBDKJSGRSJE-UHFFFAOYSA-N 485.945 4.783 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1 2331276281 CNPGACVLHDNKDL-UHFFFAOYSA-N 464.503 4.513 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(NS(C)(=O)=O)cc3)n2)cc1Cl 2331398254 YKAVCQREODVJHM-UHFFFAOYSA-N 461.952 4.793 50 10 JJGE O=C(N[C@H]1CC[C@@H](CBr)CC1)c1ccc(Cl)cc1I 2340056317 WQVZVOOOBVBGBF-JGZJWPJOSA-N 456.549 4.628 50 10 JJGE C[C@H](NC(=O)c1ccc(Cl)cc1I)[C@@H]1CCC[C@H]1Br 2340069293 XKCKCFOTLRAQHU-PTOFAABTSA-N 456.549 4.627 50 10 JJGE CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 9873626 GVKGFYWVUZZGCM-KGLIPLIRSA-N 483.790 4.610 50 10 JJGE N#C/C(=C/c1cn(CC(=O)Nc2ccccc2)nc1-c1ccccc1)c1nc(O)c2ccccc2n1 34988137 MQSSLQRJNHTOLQ-HKWRFOASSA-N 472.508 4.902 50 10 JJGE O=C(NNC(=O)c1ccc(-c2nc3ccccc3s2)s1)c1ccc(Cl)c([N+](=O)[O-])c1 35553769 VRUSTFOIDJCAAT-UHFFFAOYSA-N 458.908 4.661 50 10 JJGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)c1 38684368 PZRUIBKYLXRGCL-RUZDIDTESA-N 456.498 4.921 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3cc(C(=O)O)ccc3Cl)c2C)cc1 58894500 UBMNUFMGHVPOSA-GSOYBGKMSA-N 497.979 4.808 50 10 JJGE O=C(CSc1nc2ccccc2s1)N/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1 59104563 KZYBJANLXSCPSX-DHRITJCHSA-N 477.567 4.816 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OCCOc1ccc(C)cc1C 96515482 GEHHCNFXIPAQJD-JCMHNJIXSA-N 460.530 4.976 50 10 JJGE O=C(c1cc(Br)ccc1Br)N(CCBr)C1CCCC1 161194215 RSUNIGHEIVJPKH-UHFFFAOYSA-N 454.000 4.991 50 10 JJGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCCC)cc2)c(OC)c1 207118416 VZRBLKFTRCCAFC-WAEYBMNLSA-N 462.546 4.926 50 10 JJGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@H]1CC(Br)C2 232458063 SXFAAPIPNURPHT-QWRGUYRKSA-N 498.984 4.584 50 10 JJGE COc1cc(C[C@@H](Br)c2cc(Br)ccc2I)ncn1 234986124 YMBHVLFWXWQKKM-LLVKDONJSA-N 497.956 4.531 50 10 JJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cccs3)cc2OC)cc1 254401412 DXRBAWKYIRHKLY-UHFFFAOYSA-N 452.532 4.919 50 10 JJGE BrCc1cc(Br)cc(Br)c1OCO[C@@H]1CCCOC1 311573015 AUWNBYKMKODLML-LLVKDONJSA-N 458.972 4.638 50 10 JJGE Cn1ncc([C@H](Br)c2cc(Cl)sc2Cl)c1I 382177005 NCIMVTIDRVNMJS-SSDOTTSWSA-N 451.942 4.877 50 10 JJGE ClCCc1nc2cccnc2n1-c1ccc(Br)c(I)c1 383443136 ITPDVBFOUGSHFC-UHFFFAOYSA-N 462.516 4.569 50 10 JJGE C[C@H](Br)[C@H]1CCCCN1c1ncc(C(F)(F)F)cc1I 686107688 XVJIDCCSKOHSRD-GZMMTYOYSA-N 463.079 4.847 50 10 JJGE COc1cc(F)c(Br)cc1[C@H](Br)c1nn(C)cc1Br 693124659 ZBRPHSRJHNDIOY-NSHDSACASA-N 456.935 4.577 50 10 JJGE C=C(C)[C@H]1CC=C(C)C(=NNC(=O)COc2ccc(Br)cc2Br)C1 1084352933 ATIPHOKEMMFTKM-ZDUSSCGKSA-N 456.178 4.995 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2ccc([N+](=O)[O-])cc2Cl)C1 1614634866 GXJKVXGHKWQGCU-WMLDXEAASA-N 453.720 4.995 50 10 JJGE C=CCn1c(SCC(=O)NNc2ccc(F)c(Cl)c2)nnc1-c1ccc(Cl)cc1 1642184695 DERHKLMKVPTMOQ-UHFFFAOYSA-N 452.342 4.812 50 10 JJGE Cc1c(C(=O)NNc2ccccc2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743549 BLUOIAHVBWFCMM-UHFFFAOYSA-N 481.350 4.578 50 10 JJGE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688513 UELULQHVAREDBE-VWLOTQADSA-N 472.589 4.950 50 10 JJGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1 1865701917 IDYDKRAWLGRMQJ-LJQANCHMSA-N 453.468 4.955 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)ccc1O 1865705936 JVLAESVWGNXLIT-HSZRJFAPSA-N 450.498 4.531 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1 1867049992 HRPQMMYVVRNPET-SMIHKQSGSA-N 459.546 4.869 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccccc4C3=O)n2)c(OC)c1 1872755393 LHXZFWDVHRRKCG-VZCXRCSSSA-N 475.526 4.696 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNCc1cc(Br)c(Br)o1 1985349931 IXVMMTVJKFHHDC-UHFFFAOYSA-N 490.283 4.800 50 10 JJGE CC(C)[C@@H](Br)[C@@H](C)NC(=O)c1ccc(I)c(Br)c1 2041298722 DAZPTOCWNMTBSH-PRHODGIISA-N 488.989 4.592 50 10 JJGE C[C@@H](Br)C[C@@H]1CCCCN1c1ncc(I)cc1Br 2069525539 KCENZPJPBWQAIG-KOLCDFICSA-N 488.005 4.981 50 10 JJGE C[C@H](CNC(=O)c1ccc(Br)cc1I)C[C@@H](C)Br 2086151730 RUXVETLEUSDRKQ-DTWKUNHWSA-N 488.989 4.593 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@H](Br)C(F)(F)CC1 2150018302 IBZGRPKCSRXWIJ-NSHDSACASA-N 478.502 4.579 50 10 JJGE C=CC[C@@]1(CCl)CCCN1C(=O)c1cc(I)ccc1Br 2287790917 IMKZXCVXLFMYGJ-HNNXBMFYSA-N 468.560 4.843 50 10 JJGE CCCOC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)Nc3ccc(C(=O)OC)cc3)o2)cc1 2293497519 KMBRVKVTFWJUMR-UHFFFAOYSA-N 458.470 4.846 50 10 JJGE O=C(C=Cc1ccco1)Oc1ccc(Br)cc1C=NNC(=O)c1ccc(F)cc1 2294377327 PWPUQOKEVBQZLE-UHFFFAOYSA-N 457.255 4.564 50 10 JJGE O=C(NN=CC=Cc1ccccc1)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)NN=CC=Cc1ccccc1 2297321761 IFSARANVDOTMOA-UHFFFAOYSA-N 493.523 4.609 50 10 JJGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 2313567554 LRJYVOPDWMWUKS-UHFFFAOYSA-N 482.147 4.925 50 10 JJGE CCOC(=O)COc1ccc(C=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 2314519653 WWLQQWJJKXNVOX-UHFFFAOYSA-N 465.487 4.733 50 10 JJGE COc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccc(C)cc2)nc2c(C)cccn2c1=O 2314532911 NXSVAFKYIQYHAQ-UHFFFAOYSA-N 466.497 4.658 50 10 JJGE CC(C)(C)OC(=O)N1CCN(C=C(C#N)C(=O)Nc2ccccc2Sc2ccccc2)CC1 2325339826 VZPIHWRCHXSJQH-UHFFFAOYSA-N 464.591 4.736 50 10 JJGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)NCc3ccccc3)N(c3ccc(F)cc3)C2=O)cc1 1888749 OKAMDHVBRFLIOG-BSSRNLCFSA-N 471.557 4.877 50 10 JJGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1C 14648645 HMBARFUWUNZOII-UHFFFAOYSA-N 492.439 4.666 50 10 JJGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccccc1C 32519945 HRJADYAUIYJXCI-VULFUBBASA-N 460.559 4.701 50 10 JJGE COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)/C(C#N)=C\c1ccc2c(c1)OCO2)c1ccccc1 33480062 QPQALJDTIXGDDW-JUKZXFSCSA-N 470.481 4.563 50 10 JJGE Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NC2CCCCC2)ccc1Cl 33654508 FVHPLBXCOOBPKU-VKAVYKQESA-N 462.937 4.805 50 10 JJGE CCOC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C)cc1 33729437 WCEMCIGAOMTJBB-PMIVHWTLSA-N 471.376 4.747 50 10 JJGE CCn1c(-c2ccc(C(=O)NNC(=O)COc3ccc(Cl)cc3Cl)s2)nc2ccccc21 35554069 HYEXSTPZPIIQPH-UHFFFAOYSA-N 489.384 4.932 50 10 JJGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cc(C)cc(C)c3)ccc21 38650056 ZMCXRQVCOKNGKJ-SANMLTNESA-N 456.498 4.515 50 10 JJGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1Oc1cccc2ccccc12 40683303 FFMYVIOVFDQGPC-UHFFFAOYSA-N 450.296 4.524 50 10 JJGE Cc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccccc1Br 58890470 RCSXHWUCYDVSEJ-JOODZBNRSA-N 454.368 4.821 50 10 JJGE Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)c3cc4cc(Cl)ccc4o3)cc2)n1 71804409 HIDQYDMFDHJKPX-UHFFFAOYSA-N 466.950 4.860 50 10 JJGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(C#N)=C/c2ccc(OCCCC)cc2)c(OC)c1 103746648 ZYPXIPOPHOMGGU-QKHIKCBBSA-N 485.540 4.596 50 10 JJGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)C1=O 214217314 VVMFRQBAUZWYOG-HAHDFKILSA-N 466.541 4.859 50 10 JJGE C[C@H]1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)[C@@H]1CBr 227190906 NFQDFVBGNBXMDV-WRWORJQWSA-N 466.022 4.550 50 10 JJGE O=C(N[C@@H]1CCCC[C@@H]1CBr)c1cc(Br)cc(Br)c1 231609599 NHGQBPGLCUDSCP-NOZJJQNGSA-N 454.000 4.895 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N(CCBr)C1CCCC1 232486974 VDLOKOHQTDOXBU-UHFFFAOYSA-N 454.000 4.991 50 10 JJGE COc1ccccc1C=NNC(=O)c1ccc2c(c1)CN(c1ccc(Br)cc1)C2 252618916 LKSGZOUPABCGDB-UHFFFAOYSA-N 450.336 4.742 50 10 JJGE O=C(CSc1ccc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)o1)Nc1ccc2ccccc2c1 254406128 LAZNRLOZZVAENW-UHFFFAOYSA-N 474.498 4.836 50 10 JJGE CN(CCn1c(CCCl)nc2cc(I)ccc21)Cc1ccccc1 386817344 FNAVPFWQBKKLDT-UHFFFAOYSA-N 453.755 4.554 50 10 JJGE CCS(=O)(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C 914738361 AAEKQIWVOPGVAQ-RGEXLXHISA-N 451.523 4.573 50 10 JJGE Cc1cc(C(=O)O)ccc1-c1ccc(C=NNC(=O)CSc2nc3ccccc3s2)o1 1082988401 BQWHXMUPMGYKJV-UHFFFAOYSA-N 451.529 4.805 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2)ccc1OCc1ccc(F)cc1 1084145476 JJUSOILYNFQYEN-UHFFFAOYSA-N 487.325 4.705 50 10 JJGE CCOC(=O)c1ccccc1-n1c(C)cc(C=NNC(=O)c2ccccc2Br)c1C 1084558022 DEKVYQCKZGMCNB-UHFFFAOYSA-N 468.351 4.797 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2)cc(Br)c1O 1865688648 XVBIFJMYPIKERN-IBGZPJMESA-N 481.350 4.520 50 10 JJGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865698252 OLXSQIWYUVVDJX-RUZDIDTESA-N 464.525 4.967 50 10 JJGE Cc1cc(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)ccc1N(C)C 1865759778 ROTCGBMHZRTXLO-UHFFFAOYSA-N 457.361 4.813 50 10 JJGE O=S1(=O)CC[C@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 1899880805 BPLSIWJRKMNVQJ-DLBZAZTESA-N 460.187 4.651 50 10 JJGE CC1(C)C[C@@H](Cl)CN(C(=O)c2cc(Br)ccc2I)C1 1923190539 BRZLCBHTXXNOCM-SNVBAGLBSA-N 456.549 4.533 50 10 JJGE CC[C@H]1[C@@H](CBr)CCN1C(=O)c1csc(Br)c1Br 2032959136 VEXFGUXNHRAEOC-APPZFPTMSA-N 460.029 4.909 50 10 JJGE ClCc1nc2cc(I)ccc2n1[C@@]12C[C@H]1CN(Cc1ccccc1)C2 2038347523 WREOZLOHYUDHDC-MGPUTAFESA-N 463.750 4.611 50 10 JJGE Cc1c(Br)ccc([C@H](Br)[C@H]2CCCS2(=O)=O)c1Br 2083317318 FKGCFFCHZSZAEP-PWSUYJOCSA-N 461.013 4.533 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCc2cccc3ccccc23)C1 2084569103 RYEYBDHUMIPVMT-ROUUACIJSA-N 453.320 4.779 50 10 JJGE CC[C@H]1[C@H](CBr)CCN1C(=O)c1c(Br)cccc1Br 2094090548 INDYOIALHIDIOV-CABZTGNLSA-N 454.000 4.847 50 10 JJGE CC(C)(C)OC(=O)N1CCC([S@](C)(=O)=NC[C@H](CBr)c2ccccc2)CC1 2163064880 WRFYRDQOUPHMOQ-SOKVYYICSA-N 459.450 4.662 50 10 JJGE C[C@H]1CN(C(=O)c2ccc(I)c(Cl)c2)CC[C@H]1CCBr 2172471013 BPXRYULXRBMAGG-WDEREUQCSA-N 470.576 4.828 50 10 JJGE C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(CBr)ccc2Cl)CN1Cc1ccccc1 2179787964 WAQPEJHKDCPVMM-MAUKXSAKSA-N 471.848 4.518 50 10 JJGE CC(C)(C)[C@@H]1[C@H](Br)CCN1C(=O)c1ccc(I)c(Cl)c1 2185099795 KINDPRBIBONAIB-MFKMUULPSA-N 470.576 4.969 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@H](CCCCl)C1 2234185330 GZGGXOZRCBSWEK-NSHDSACASA-N 470.576 4.925 50 10 JJGE CN(C[C@H](Cl)COCc1ccccc1)C(=O)c1ccc(Cl)c(I)c1 2248262127 ZTFVDJQISGUNOA-HNNXBMFYSA-N 478.157 4.841 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1C[C@H]2CC[C@H]1C[C@@H]2NC(=O)OC(C)(C)C 2248821348 QEZNCDTZSOBAAF-MHORFTMASA-N 475.721 4.564 50 10 JJGE O=C(NCCCCCCI)c1ccc(Cl)c(I)c1 2256387218 ROGZXQYBRQZZQP-UHFFFAOYSA-N 491.538 4.670 50 10 JJGE CC(C)(C)C[C@H](CBr)NC(=O)c1ccc(Cl)c(I)c1 2268355769 FJLSYHRHKNXSMF-SNVBAGLBSA-N 458.565 4.874 50 10 JJGE C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OC)c(Br)c1 2296536600 NDKWBTKCPSQPQL-UHFFFAOYSA-N 463.335 4.520 50 10 JJGE COc1cc(/C=C(/C#N)C(N)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl 13914417 BVIHAIVAJRMWLB-QCDXTXTGSA-N 456.123 4.736 50 10 JJGE Cc1ccccc1NCC(=O)N/N=C\c1ccc(OC(=O)c2ccccc2Br)cc1 33155065 ODUHITYQXZELKI-WGARJPEWSA-N 466.335 4.539 50 10 JJGE N#C/C(=C(/OC(=O)Cc1c(Cl)cccc1Cl)C(F)(F)F)c1nnc2n1CCCCC2 33772182 JYYLNJRUBDZHDS-ATVHPVEESA-N 459.255 4.894 50 10 JJGE COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 39884839 ANFDWRRIVXOAHK-JLHYYAGUSA-N 451.822 4.840 50 10 JJGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OC)cc1 40864655 MQIKLADUUQNSMX-ALCUREISSA-N 474.513 4.857 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CCCC[C@H]1CCCl 236038242 WLVJJKLGYYPHOC-NSHDSACASA-N 456.549 4.677 50 10 JJGE O=C(NN=Cc1ccccc1[N+](=O)[O-])c1csc(-n2nc(-c3ccccc3)cc2C(F)(F)F)n1 254509760 MHLOGIPHJAFLMR-UHFFFAOYSA-N 486.435 4.687 50 10 JJGE C[C@@H]1C[C@@H](Br)CCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 705601385 XTVMLVVFSHYQHX-SFYZADRCSA-N 466.022 4.692 50 10 JJGE C[C@@]1(CBr)CCCCN1C(=O)c1ccc(I)c(Cl)c1 723011924 JUTUXLUPOAVZPF-AWEZNQCLSA-N 456.549 4.724 50 10 JJGE CN(c1ccc(Br)cc1)S(=O)(=O)c1cc(CCl)sc1Br 723926647 ARCDYOHPADYNHN-UHFFFAOYSA-N 459.612 4.837 50 10 JJGE CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](CC(=O)OC)c2ccc(Br)cc2)c1C 837138673 BICTZIDIWOPYIA-JCAJYURWSA-N 472.383 4.605 50 10 JJGE CC(C)(C)C(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1 1084201887 LBELKCUAZQSBMF-UHFFFAOYSA-N 497.187 4.666 50 10 JJGE CN(C)C(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 1084328791 YDVRRWBUQQKKKN-OQLLNIDSSA-N 464.157 4.786 50 10 JJGE O=C(CSCc1ccccc1)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1084533740 VAXYYPBEVOLFMD-UHFFFAOYSA-N 466.475 4.679 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2cc(Cl)ccc2[N+](=O)[O-])C1 1614617373 VLTFCFRQVWHTLY-RHSMWYFYSA-N 453.720 4.995 50 10 JJGE O=C(CCn1ccc2ccccc21)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 1860822363 ASSLLLWPSNCNDU-GNVQSUKOSA-N 456.933 4.752 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1Cl 1872757475 HZXJWWSHKCEDTD-ZNASEZLDSA-N 465.918 4.949 50 10 JJGE Cn1cc([C@H](Br)c2sc(Cl)cc2I)c(Br)n1 1901029721 XXQDTMLWTWVSMR-ZETCQYMHSA-N 496.393 4.986 50 10 JJGE CC(C)[C@H]1[C@H](Br)CCN1C(=O)c1csc(Br)c1Br 2062182983 LKCOWSQBHFUZPW-SCZZXKLOSA-N 460.029 4.907 50 10 JJGE FC(F)(F)c1c(I)c(CBr)nn1-c1ccncc1C1CC1 2078926098 FBGXALBNWGWWHN-UHFFFAOYSA-N 472.046 4.663 50 10 JJGE CC1(C)[C@H](CBr)OCCN1Cc1cc(Br)ccc1Br 2118527885 GYYAVZXOQVAWAT-ZDUSSCGKSA-N 456.016 4.586 50 10 JJGE F[C@@H](CBr)C1CCN(Cc2ccc(I)c(Cl)c2)CC1 2142943405 LYEYRGXODMOCQV-ZDUSSCGKSA-N 460.556 4.890 50 10 JJGE CCCN1CCC[C@@H]([C@H](Cl)c2csc(Br)c2Br)S1(=O)=O 2150342036 OYKHYQZKKCRJEQ-GXSJLCMTSA-N 465.660 4.757 50 10 JJGE O=C(c1c(Br)cccc1Br)N1[C@H]2CC[C@H]1CC(CBr)C2 2150492856 FWQIUGQXNXELRH-QWRGUYRKSA-N 466.011 4.990 50 10 JJGE CCn1ncc(Br)c1[C@@H](Br)c1cc(Br)cc2c1OCC2 2150669353 VUOWJIKOVXVVSD-LBPRGKRZSA-N 464.983 4.847 50 10 JJGE O=S(=O)(NC[C@H]1CCCC[C@@H](Br)C1)c1cc(Cl)c(Br)s1 2163743923 SIEREFNAFHKSTR-DTWKUNHWSA-N 465.660 4.786 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1cccc(Br)c1Br 2204578888 MHVFDARSJNNYPP-NGERZBJRSA-N 466.011 4.894 50 10 JJGE Cc1ccc(C(=O)N[C@H](CBr)CC2CCCC2)cc1I 2232824336 XTBNPKBYYMYWKX-AWEZNQCLSA-N 450.158 4.673 50 10 JJGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 2241635644 DZPJYQRATFJSJE-CALCHBBNSA-N 471.395 4.547 50 10 JJGE O=C(NCC1CCC(Br)CC1)c1ccc(Cl)c(I)c1 2268352336 ZVHFSAPVXIHYQI-UHFFFAOYSA-N 456.549 4.628 50 10 JJGE Cc1c(Br)ccc([C@H](Br)C2CC(S(C)(=O)=O)C2)c1Br 2269761810 NCICDKPXAGLYKZ-KJHLLKJSSA-N 475.040 4.779 50 10 JJGE COc1ccc([C@H](Br)[C@@H]2OC[C@@H]3CCCC[C@@H]32)cc1I 2284998235 QBQOASNEKIKWPZ-GVAFMPQTSA-N 451.142 4.941 50 10 JJGE COc1ccc([C@H](Br)c2c(F)cccc2I)c(OC)c1 2287188728 FQHOIGJTKOGJFS-HNNXBMFYSA-N 451.073 4.932 50 10 JJGE C=CCc1ccc(OCCOc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)c(OC)c1 2293104201 WFVVQCXHIFBULA-UHFFFAOYSA-N 458.514 4.698 50 10 JJGE COc1cc(C(=O)N[C@H](CCBr)COCc2ccccc2)ccc1Br 2320360522 GWEXXSKHXPSTEP-MRXNPFEDSA-N 471.189 4.558 50 10 JJGE Cn1c(SCC(=O)NN=Cc2ccc(OCCCc3ccccc3)cc2)nc2ccccc21 2322910811 JYECJVINGWZKON-UHFFFAOYSA-N 458.587 4.827 50 10 JJGE N#CC(=CNCCCCc1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324610144 VMWYHGWNIGZMAE-UHFFFAOYSA-N 478.640 4.940 50 10 JJGE COCCOc1ccc(C=C(C#N)C(=O)Nc2ccc3c(c2)C(=O)N(c2c(C)cccc2C)C3=O)cc1 2331123064 YPSFBLKHPJTZFK-UHFFFAOYSA-N 495.535 4.675 50 10 JJGE CC[C@@]1(C)[C@H](Br)CCN1C(=O)c1ccc(Br)cc1Br 2336761537 JNAKSPLFZLXPAS-OCCSQVGLSA-N 454.000 4.990 50 10 JJGE CC(C)CO[C@H]1[C@@H](Oc2cc(Br)cc(I)c2)C[C@H]1Cl 2338758112 POWHSVRDBFHAOF-HZSPNIEDSA-N 459.549 4.853 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C(C)(C)S(C)(=O)=O 2339648480 LUYMPVYHMMZSDQ-LLVKDONJSA-N 481.019 4.918 50 10 JJGE C[C@@H]1[C@@H](Cl)CCN(C(=O)c2ccc(I)c(Br)c2)[C@H]1C 2344520842 PVRCFCVTELRDIV-AUTRQRHGSA-N 456.549 4.532 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1C[C@@H](Br)CCC12CCC2 2365584576 QDHPVSVJWRRPQR-JTQLQIEISA-N 468.560 4.867 50 10 JJGE CC(C)n1cnc(COc2c(Br)cc(CBr)cc2Br)n1 2368428756 PFRHBXHOZWTWDR-UHFFFAOYSA-N 467.987 4.858 50 10 JJGE Cc1c(Br)c(O)c(Br)c(O)c1/C=N/NC(=O)Cc1cccc2ccccc12 3081438 SBTCKNLZCPQUNN-AUEPDCJTSA-N 492.167 4.777 50 10 JJGE CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)OCC)cc2OCC)cc1OC 33378274 XYXMEWWUZDLSLV-JFCNABASSA-N 479.529 4.972 50 10 JJGE COc1cc(/C(C)=N\NC(=O)c2ccc(COc3cccc4cccnc34)cc2)cc(OC)c1OC 33528280 CKGKHUMLDWPORT-YKQZZPSBSA-N 485.540 4.994 50 10 JJGE Cc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)c1 39858736 MCVHSJIOIUHTDL-JXAWBTAJSA-N 454.461 4.788 50 10 JJGE Cc1ccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1C 40590197 UWEXDRNLBPVVKN-UHFFFAOYSA-N 477.308 4.574 50 10 JJGE O=C(NNc1ncnc(Oc2cccc3cccnc23)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40618495 WKXZFQVYIZQEBU-UHFFFAOYSA-N 471.260 4.789 50 10 JJGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1NC12CC3CC(CC(C3)C1)C2 40755777 FCPOVHJOKAXRSD-UHFFFAOYSA-N 468.605 4.715 50 10 JJGE Cc1c(C(=O)NCCCn2ccnc2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822567 ZQFYUZAUNIPFCE-FEZSWGLMSA-N 495.583 4.742 50 10 JJGE N#C/C(=C/c1ccc(OC(=O)c2ccco2)cc1)C(=O)Nc1cccc(I)c1 83317244 DLVYRGUKANYZGJ-PTNGSMBKSA-N 484.249 4.649 50 10 JJGE CN(Cc1cccc(Br)c1)S(=O)(=O)c1cc(CCl)sc1Br 91271755 SQNPQCARIRMUNO-UHFFFAOYSA-N 473.639 4.833 50 10 JJGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 254699722 WGACKYQGLZSSAB-UHFFFAOYSA-N 492.535 4.607 50 10 JJGE CC(=NNC(=O)c1cc(-c2cccc(C)c2)nc2ccccc12)c1ccc(NS(C)(=O)=O)cc1 254713787 PLTFZHVBWQPJJL-UHFFFAOYSA-N 472.570 4.736 50 10 JJGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 254852078 GPXURDANJQBVMZ-UHFFFAOYSA-N 471.586 4.884 50 10 JJGE CC(C)(CCBr)CNC(=O)c1ccc(I)c(Br)c1 721606638 AFEKWCSLRIBLCV-UHFFFAOYSA-N 488.989 4.595 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)c(C)n1CCC(C)C 731337558 GNGAANUHEHXGTH-DLBLZJNESA-N 483.634 4.649 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)OCc2ccccc2Br)c(-c2ccccc2)n1 761414656 IBDBOGUUCMJMHU-CPNJWEJPSA-N 461.319 4.877 50 10 JJGE COc1cccc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 1084303171 GMQRZSJEZCESEI-UHFFFAOYSA-N 492.167 4.903 50 10 JJGE Cc1cc(Cl)ccc1N(CC(=O)NN=Cc1c(F)cccc1Cl)S(=O)(=O)c1ccccc1 1084635099 LQVKEMPPMJLWIU-UHFFFAOYSA-N 494.375 4.787 50 10 JJGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745606 CKJFJYLDEYGDRF-UHFFFAOYSA-N 466.881 4.872 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1OC 1865706768 FGDNATCMBDSLMI-KRWDZBQOSA-N 476.842 4.780 50 10 JJGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714025 BBRRRLCNKSGPEY-LJQANCHMSA-N 453.315 4.614 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)COc4ccc(Cl)cc43)n2)cc1C 1872746716 URKLCUTVJCBTDC-MNDPQUGUSA-N 467.934 4.999 50 10 JJGE N#C/C(=C(/O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccccc2)cs1 1872747890 YFTKXMCEVMAQGW-ZZEZOPTASA-N 460.471 4.587 50 10 JJGE COc1ccc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1OCc1ccccc1Cl 1873792896 RFLSRLPKQZZLDV-VATWTLTGSA-N 490.000 4.927 50 10 JJGE COc1cccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c1OCc1cccc(C)c1 1873795036 OMWSZCCKDVVMGA-MGZHSMRGSA-N 483.609 4.972 50 10 JJGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 1893148309 MZLFSRFWQCDVBK-KDURUIRLSA-N 453.421 4.836 50 10 JJGE CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(CCl)cc2Br)CO1 1915480057 HIRMIQWCQYAULL-QGZVFWFLSA-N 472.832 4.946 50 10 JJGE CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@H]2C[C@H](Br)C2)cc1Br 2020168850 LZAANMRIDARDRJ-UMSPYCQHSA-N 462.182 4.699 50 10 JJGE O=C(c1csc(Br)c1Br)N1CC[C@@H](Br)[C@H]1C1CC1 2067016955 OQWDKSVMQHVBEF-PSASIEDQSA-N 458.013 4.661 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CC[C@H](Br)[C@H]2CC[C@@H]21 2069991364 MOZRILJNTQBWRI-FJXKBIBVSA-N 458.013 4.661 50 10 JJGE O=C(NC[C@H](CBr)C1CCC1)c1c(Br)cccc1Br 2094091889 ZCCOJLXXQPJVSX-JTQLQIEISA-N 454.000 4.753 50 10 JJGE CC(C)(CBr)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1I 2155826890 ZEWQFMZKZXPAMP-CYBMUJFWSA-N 470.576 4.970 50 10 JJGE C[C@@H](Br)[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2193585057 SXWLPRXXUDEIHE-HQJQHLMTSA-N 466.022 4.692 50 10 JJGE Cl[C@H]1CCC2(CCN(c3ncc(I)cc3Br)CC2)C1 2272384899 PENJUPALLNYJIS-JTQLQIEISA-N 455.565 4.827 50 10 JJGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CO[C@@H]2COC[C@H]21 2288343949 DLBNDYXXGQBDJU-WQRVWIMNSA-N 476.937 4.587 50 10 JJGE BrC[C@@H]1CC[C@H]2CN(Cc3cc(Br)ccc3Br)C[C@@H]2O1 2289331142 OLODTMLTXFTBDP-XEGUGMAKSA-N 468.027 4.586 50 10 JJGE C[C@@H]1CCN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@H]1CBr 2295307850 PVYUMPIHSPCXJS-ZYHUDNBSSA-N 468.027 4.634 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@](C)(F)C(C)(C)F)C1 2307652195 LYYJYYZNIRRVLP-DLBZAZTESA-N 461.331 4.684 50 10 JJGE Brc1cccc(Br)c1COC1(CI)CCOCC1 2318172317 HUSRLLGQFBTKCU-UHFFFAOYSA-N 489.973 4.712 50 10 JJGE Brc1cc(CN2C[C@H]3C[C@@H](Br)C[C@H]2C3)ccc1I 2325225746 INHJSYCBMFYDJX-QJPTWQEYSA-N 485.001 4.802 50 10 JJGE N#CC(=Cc1ccccc1)C(=O)Nc1ccc(Br)cc1I 2325309764 QSKMJNITTUSZNR-UHFFFAOYSA-N 453.077 4.599 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)c(OC)c1 2331386827 RNPHFBRIAQQHCI-UHFFFAOYSA-N 494.529 4.522 50 10 JJGE COc1cc(C=C(C#N)c2nc(-c3ccccc3OC)cs2)ccc1OCCN1CCOCC1 2331434713 QGEYQQSDJRAKKU-UHFFFAOYSA-N 477.586 4.602 50 10 JJGE CC(C)c1ncccc1CO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2342161448 YZSBMTALGLHPCH-FQEVSTJZSA-N 474.383 4.926 50 10 JJGE CC1(C)CC(CBr)(CN=[S@@](C)(=O)[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)C1 2345018873 KHKDMYPLXACIHB-USBFQFRLSA-N 451.471 4.589 50 10 JJGE C/C(=N\NC(=O)c1cc2c(s1)C[C@@H](C)CC2)c1cccc(NS(=O)(=O)c2ccccc2)c1 20572309 BTSKPFXSPASMKW-LOMYJAPHSA-N 467.616 4.828 50 10 JJGE COc1ccccc1/C(C#N)=C\c1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 31900564 PFHRUHWXEZLBBA-PYCFMQQDSA-N 488.565 4.763 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 33683700 KCMYVEADVDVJCT-STZFKDTASA-N 455.514 4.875 50 10 JJGE O=C(N[C@H]1CCCC[C@H]1CBr)c1cc(Br)sc1Br 231607914 LBQYFZALSRTQCE-CBAPKCEASA-N 460.029 4.957 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CCCCC[C@@H]1CBr 232350406 QHBQQULEPULCDN-LLVKDONJSA-N 456.549 4.724 50 10 JJGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 252599759 DLGIGAZJRBDUQV-UHFFFAOYSA-N 491.613 4.522 50 10 JJGE CC[C@H]1[C@@H](CBr)CCN1C(=O)c1cc(Cl)ccc1I 386213777 DRBNHSDKIGZCGG-RNCFNFMXSA-N 456.549 4.580 50 10 JJGE CCOc1ccccc1NC(=O)NN=Cc1ccc(OCc2cccc(C(=O)O)c2)c(OC)c1 1084549446 SQSSAKYHHOWYKI-UHFFFAOYSA-N 463.490 4.527 50 10 JJGE Cc1ccc(C)c(-n2c(C)cc(C=NNC(=O)C(=O)Nc3ccccc3Br)c2C)c1 1084589249 PCKAUTBMSBSRMR-UHFFFAOYSA-N 467.367 4.562 50 10 JJGE O=[N+]([O-])c1cc(Br)ccc1[C@@H]1CN(Cc2ccccc2)C[C@H]1CBr 1614696102 WDSKPPJYNMHERZ-RHSMWYFYSA-N 454.162 4.968 50 10 JJGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2CC(C)C 1865690760 AJNCSXYHRQJVRS-HSZRJFAPSA-N 456.546 4.998 50 10 JJGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)c1 1865692186 BUZZIRLIXJMWLX-NRFANRHFSA-N 465.351 4.950 50 10 JJGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 1865712644 DOKOIADBLDTHBR-IBGZPJMESA-N 456.289 4.673 50 10 JJGE Cc1ccc(-c2ccc(C(=O)NNC(=O)COc3ccc(Cl)cc3Cl)c(C)n2)cc1C 1865756050 CSMKKLNAUZRTBO-UHFFFAOYSA-N 458.345 4.821 50 10 JJGE CCCC[C@H](NC(=O)c1c(C)cc(C)n(-c2ccccc2)c1=O)C(=O)Nc1ccc(SC#N)cc1 1867210144 HPMPGKWPGPSPOI-QHCPKHFHSA-N 488.613 4.955 50 10 JJGE CC(C)[C@@H](CI)NCc1cc(Br)ccc1Br 1982458146 SBQQYTOJTZKKKT-GFCCVEGCSA-N 460.979 4.761 50 10 JJGE CC(N)=C(C#N)C(=O)CSc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1 2040426228 OQDLNSHMQQKLAM-UHFFFAOYSA-N 460.401 4.630 50 10 JJGE O=C(CBr)c1ccc(OC(F)(F)F)c(Br)c1I 2054836461 QTUKSCAQDYBDDS-UHFFFAOYSA-N 487.835 4.530 50 10 JJGE Cc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)c(F)c1 2079239221 ABMLUPQNZZWVRZ-UHFFFAOYSA-N 477.037 4.897 50 10 JJGE COC[C@@H](C)OC[C@@H](Br)CCc1ccc(Br)cc1Br 2099441054 HBYICCGCAUSSEP-MFKMUULPSA-N 459.016 4.959 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@H](Br)CC12CC2 2113560531 CQEUQUNUBFJNPW-JTQLQIEISA-N 451.984 4.744 50 10 JJGE N#Cc1ccnc(COc2c(Br)cc(CBr)cc2Br)c1 2143659375 QWTQLHLRHSFSQV-UHFFFAOYSA-N 460.951 4.952 50 10 JJGE O=C(N[C@@H](CCBr)C1CCCC1)c1cc(I)ccc1F 2169664651 VFJMYXHULAGPKZ-AWEZNQCLSA-N 454.121 4.504 50 10 JJGE Fc1ccc(N2CC[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c(CBr)c1Cl 2185515114 PJEFLCDPHWFQGA-WOJBJXKFSA-N 453.783 4.854 50 10 JJGE Cc1cc(C(=O)N2CC(C)(C)CC[C@@H]2CBr)ccc1I 2207100722 CPZMOLFICKPVOH-CYBMUJFWSA-N 450.158 4.625 50 10 JJGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NC2CCCC2)cc1 2296543492 HRGRPKXVTMAHBV-UHFFFAOYSA-N 456.546 4.750 50 10 JJGE COc1cc(Br)c(OCC(=O)NN=CC(C)=Cc2ccccc2)c(Br)c1 2297322915 GLMXMNHWAZTHRR-UHFFFAOYSA-N 482.172 4.805 50 10 JJGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)cc(I)c2O)c(C)c1 2297629150 GCSWRPZSDNACHD-UHFFFAOYSA-N 497.130 4.922 50 10 JJGE C[C@H]1C[C@@H](Br)CN(Cc2ccc(I)c(Br)c2)C1 2306224793 TUYCQBLWPWSLIO-GXSJLCMTSA-N 472.990 4.659 50 10 JJGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)C(C#N)=C2C)cc1 2314617686 RTJWZPIRJRBUFR-UHFFFAOYSA-N 466.541 4.940 50 10 JJGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)C(C)=C(C#N)C1=O 2314618454 NWKZYQBYDOHKKW-UHFFFAOYSA-N 496.611 4.579 50 10 JJGE Cl[C@H](c1cnsc1Br)c1cc(I)cc2c1OCC2 2315642758 YSXXTVOFBIUWKM-JTQLQIEISA-N 456.530 4.773 50 10 JJGE CCOc1ccc(C)cc1[C@H](C)NC(=O)C(C#N)=CNCCc1ccc(Br)cc1 2325079108 KGXJFVSAENOGET-KRWDZBQOSA-N 456.384 4.573 50 10 JJGE CC(C)(CI)CN1CCCc2cccc(CNC(=O)OC(C)(C)C)c21 2326671665 GCFXGKANRNBDEL-UHFFFAOYSA-N 458.384 4.925 50 10 JJGE CC(C)[C@H]1C[C@@H](Br)CN1C(=O)c1cc(Cl)ccc1I 2344616301 XAZLKDSANBMNPJ-NOZJJQNGSA-N 456.549 4.579 50 10 JJGE C[C@]12C[C@H](C1)[C@H](CO[C@@H](CI)c1ccccc1Br)CO2 2366743854 HCIKTWXVTKHDHQ-MPTQWLOMSA-N 451.142 4.757 50 10 JJGE C/C(=N/NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)c1ccc2ccccc2c1O 14361290 DOTKYLKOGUCOSW-CLGAAKTPSA-N 473.573 4.868 50 10 JJGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl 14768681 OXUWYCZOSCCUME-QHCPKHFHSA-N 479.964 4.731 50 10 JJGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1 16739789 NLNKGODYAUVTPR-IQQNDYETSA-N 477.973 4.984 50 10 JJGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)cc1 38678954 KJNYJUNVGZIEDU-DEOSSOPVSA-N 491.341 4.824 50 10 JJGE CCN1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)CC1 40822686 RQRPHLCCTGTWRQ-BGABXYSRSA-N 484.600 4.503 50 10 JJGE COc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)c([N+](=O)[O-])c1 103485373 NBUJQRXXKPAALB-WQLSENKSSA-N 468.809 4.971 50 10 JJGE O=C(NC[C@@H]1CCCC[C@@H]1Br)c1cc(Br)ccc1Br 161221193 KXNHCZGTPFXFRP-CABZTGNLSA-N 454.000 4.895 50 10 JJGE O=C(N/N=C/c1ccc(OCc2ccccc2)c(Cl)c1)c1cc(-c2ccccc2)nc(O)n1 169923219 WBCQTONLMJQWFH-JFLMPSFJSA-N 458.905 4.846 50 10 JJGE N#C/C(=C/NCCc1cccc(Cl)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216510310 XREPKGRWOPGCDE-ROMGYVFFSA-N 485.031 4.813 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CCC[C@H]1CCCCl 236036430 CFGBFSDLQKOGSZ-LLVKDONJSA-N 456.549 4.677 50 10 JJGE C/C(C=NNC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1)=C\c1ccccc1 252634115 WKFYCNUAOKZDQB-RBBLUMCLSA-N 452.558 4.729 50 10 JJGE CCOc1cc(C=NNC(=O)COc2ccc(C(C)C)cc2)ccc1OC(=O)c1ccc(OC)cc1 254841284 OJUQJRMKIBVBKV-UHFFFAOYSA-N 490.556 4.966 50 10 JJGE Cn1ncc([C@@H](Cl)c2cc(Cl)c(Br)cc2F)c1I 379142841 BOFIJTGTWJCWJX-JTQLQIEISA-N 463.903 4.908 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2ccccc2I)[C@@H](CCl)C1 382685821 IZXLIHFPEDADFJ-RDJZCZTQSA-N 455.723 4.882 50 10 JJGE CC(C)(C)[C@H](Br)CNC(=O)c1ccc(I)c(Br)c1 721594504 OZRPAYOSKOSNER-LLVKDONJSA-N 488.989 4.593 50 10 JJGE COc1cc(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccccc1Cl 725400893 AWYYDPSWOGGNMT-UHFFFAOYSA-N 484.936 4.717 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)c(C)n1-c1ccc(F)cc1 915151388 CBYYTAWZCNUXFP-PXNMLYILSA-N 464.884 4.763 50 10 JJGE O=C(NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc(Br)cc1 1084051842 XYDYZVZJEOHTNF-UHFFFAOYSA-N 485.250 4.822 50 10 JJGE O=C(COc1ccc(-c2ccccc2)cc1)NN=Cc1cc(Br)c(N2CCCC2)o1 1084062640 AIYYQEZOCYKVQH-UHFFFAOYSA-N 468.351 4.838 50 10 JJGE COc1cccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 1084391373 OJJQVTQZVVEFCM-UHFFFAOYSA-N 496.223 4.884 50 10 JJGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772745181 SNXOLIAGCKOIOO-UHFFFAOYSA-N 453.901 4.781 50 10 JJGE Cc1ccc(Cl)cc1NC(=O)COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F 1858683087 ZQFIZYHJQFILDD-UHFFFAOYSA-N 474.832 4.719 50 10 JJGE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 1865694910 FLURCCFDZSNCFT-KRWDZBQOSA-N 460.843 4.889 50 10 JJGE CC1(C)CC[C@H](Br)[C@H](CNC(=O)c2sccc2I)C1 1927041714 JRUFKHPULUEJHP-UWVGGRQHSA-N 456.187 4.672 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC1CCC2(CC1)C[C@H]2NC(=O)OC(C)(C)C 2010827641 UMXNDPTTYHBDKV-PSCUFVCCSA-N 475.721 4.708 50 10 JJGE Cc1nn(C)c(Br)c1C(=O)N(Cc1ccccc1)[C@@H](CBr)C(C)C 2013206621 ZBMKFNIYQDWWIZ-HNNXBMFYSA-N 457.210 4.553 50 10 JJGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1cc(Br)sc1Br 2042546336 XGLLPPJYLLJBBI-HSLWUYEYSA-N 458.013 4.565 50 10 JJGE C[C@@H](Br)CCCc1cn(-c2ccc(Br)cc2Br)nn1 2132761116 FXUMUEYXPAZNAG-SECBINFHSA-N 451.988 4.898 50 10 JJGE CCC(CC)(CCl)CNC(=O)c1ccc(Br)cc1I 2142286111 XRLGUHCAYAWGIM-UHFFFAOYSA-N 458.565 4.829 50 10 JJGE C[C@]1(CBr)CC(F)(F)CN1C(=O)c1ccc(Br)cc1Br 2159048157 BIPSLYNPVRLLHC-GFCCVEGCSA-N 475.953 4.846 50 10 JJGE CN(C[C@@H](Br)C1CCCC1)C(=O)c1ccc(I)c(Cl)c1 2167647894 SYMGCWLCVVGPQA-GFCCVEGCSA-N 470.576 4.970 50 10 JJGE CN(C(=O)c1ccc(I)c(Br)c1)[C@H](CCCl)C(F)(F)F 2178520744 MRBAUTRBQJBMNH-SNVBAGLBSA-N 484.481 4.686 50 10 JJGE O=C(N[C@@H](CCl)C1CCCCC1)c1ccc(Br)cc1I 2207267353 LBSXRAJCCVMRQH-AWEZNQCLSA-N 470.576 4.971 50 10 JJGE O=S(=O)(Cc1ccccc1Br)N(Cc1ccccc1)[C@H](CBr)C1CC1 2218982858 FXWDAHAJIPCWAN-LJQANCHMSA-N 487.257 4.955 50 10 JJGE C=CC[C@@](C)(CBr)CNC(=O)c1ccc(Cl)c(I)c1 2268353837 UTBLFZAJVJZGKX-AWEZNQCLSA-N 456.549 4.652 50 10 JJGE O=C(N[C@@H](CBr)C1CCCCC1)c1c(F)cccc1I 2282766848 OSRLNVAQEBXSCF-ZDUSSCGKSA-N 454.121 4.504 50 10 JJGE C[C@@H]1CCCN(c2ccc(C=C(C#N)c3nn(-c4ccccc4)c(N)c3C#N)cc2[N+](=O)[O-])C1 2297296979 MFSRCSDTQYRLEL-QGZVFWFLSA-N 453.506 4.535 50 10 JJGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2321176161 JGHQBHCIHMSUCK-UHFFFAOYSA-N 471.300 4.746 50 10 JJGE CC(=NNC(=O)c1ccc(-c2ccc(Cl)cc2Cl)nc1C)c1ccc(S(C)(=O)=O)cc1 2321276065 OVFJAURUWNKWHE-UHFFFAOYSA-N 476.385 4.921 50 10 JJGE Cc1ccc(C=C(C#N)C(=O)N[C@H](CCC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 2329622783 QKRFJPXCAYICRL-HHHXNRCGSA-N 496.563 4.654 50 10 JJGE CN(CC[C@H](Br)c1cccs1)S(=O)(=O)c1cscc1Br 2366229832 KMWPZUBRKZYVHC-VIFPVBQESA-N 459.250 4.719 50 10 JJGE C[C@]12C[C@H](C1)[C@@H](CO[C@@H](CI)c1ccc(Br)cc1)CO2 2366743739 GVYMCKKJKVUMGJ-DARAHFNDSA-N 451.142 4.757 50 10 JJGE CC1=C(C(=O)N/N=C/c2cccc(Br)c2)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 59384968 ZFWVMALWHVTQEU-WFBSDAATSA-N 498.233 4.699 50 10 JJGE Cc1cc(/C=C(/C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(C)n1-c1ccccc1 84081282 JQXSNNNVMQBHEV-NKFKGCMQSA-N 450.546 4.576 50 10 JJGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)C1=O 101332523 MQFNCLHMWFPFPA-WYMPLXKRSA-N 466.585 4.952 50 10 JJGE O=C(NNc1ccc(F)c(F)c1F)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 110959140 QXKGJXMOYYJZKN-UHFFFAOYSA-N 490.290 4.968 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)NC[C@H](Br)CC(C)C)cc1Br 226271370 UVROZMREXVYLJN-SNVBAGLBSA-N 492.071 4.608 50 10 JJGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3C)nnc2-c2ccccc2)cc1 254871625 BSYYVYJJZUXLCY-UHFFFAOYSA-N 471.586 4.884 50 10 JJGE BrCc1cc(Br)cc(Br)c1OCO[C@H]1CCCOC1 311573016 AUWNBYKMKODLML-NSHDSACASA-N 458.972 4.638 50 10 JJGE CC1(CBr)CCN(C(=O)c2cc(Br)sc2Br)CC1 401599999 ZBFAWVKTVORZLM-UHFFFAOYSA-N 460.029 4.910 50 10 JJGE C[C@]1(CBr)CCCN(C(=O)c2ccc(Br)cc2Br)C1 688136487 QZFVFWPEFSAXBH-CQSZACIVSA-N 454.000 4.849 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c(C)n1C1CCCCC1 726947551 COLDGAPYBYXBJG-CPNJWEJPSA-N 464.532 4.577 50 10 JJGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)c1C 1083898313 NFUWEEVHCLTSNU-KRWDZBQOSA-N 477.565 4.858 50 10 JJGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 1084590560 BJZMHIGJHSBDKP-UHFFFAOYSA-N 472.328 4.670 50 10 JJGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNC(N)=S)CC(C)(C)C2 1772729188 INFOSSOVXMKZNY-UHFFFAOYSA-N 461.591 4.581 50 10 JJGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772744634 ZCQSQDFVLHLSON-UHFFFAOYSA-N 457.461 4.965 50 10 JJGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c([N+](=O)[O-])cc1OC 1872747310 WXEJEDGVWZXXRI-RGEXLXHISA-N 454.420 4.594 50 10 JJGE Cc1ccc(COc2ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc2)cc1 1873793742 WLQYJKSPBSVQHL-JEWPKMHUSA-N 453.583 4.964 50 10 JJGE CC(C)NCc1cc(Br)c(OC[C@@H]2C[C@H]2Br)c(Br)c1 1887832951 LTELIPOSJUSEML-WDEREUQCSA-N 456.016 4.872 50 10 JJGE C[C@H](NCCSSCCNC(=O)OC(C)(C)C)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 1993732770 ZUDUPZYMLLXQJS-GVDBMIGSSA-N 463.710 4.564 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]2CCCC[C@H]12 2010825135 GLOSIKBECNTHOX-KZNAEPCWSA-N 475.721 4.660 50 10 JJGE COc1sc([C@H](Br)c2nn(C)c(Br)c2C)cc1Br 2049256697 VOCHSMLGULEKEF-QMMMGPOBSA-N 459.001 4.808 50 10 JJGE O=C(N[C@H]1CC[C@H](CBr)CC1)c1cc(Br)cc(Br)c1 2118468496 POEDDBIQMLOWLE-GMZHKTEUSA-N 454.000 4.895 50 10 JJGE BrCC(CBr)(COC[C@@H]1CCCO1)c1ccccc1Br 2149034390 JULJZPYCEKGJGC-LBPRGKRZSA-N 471.027 4.672 50 10 JJGE Cc1c(CBr)cccc1S(=O)(=O)N(Cc1ccccc1)[C@@H]1COC(C)(C)C1 2179785366 LBLLRJWTZOHVQQ-IBGZPJMESA-N 452.414 4.648 50 10 JJGE O=C(N[C@@H]1CCCC[C@@H]1CCCl)c1ccc(Br)cc1I 2207262294 QAKNPXOGAOSTGM-QMTHXVAHSA-N 470.576 4.971 50 10 JJGE CC(C)(C)OC(=O)N[C@@H]1CCc2ccccc2N(CCCCCI)C1 2220215794 JOZOOBGLIADJNQ-QGZVFWFLSA-N 458.384 4.938 50 10 JJGE CCN(C[C@@](C)(CBr)O[C@H]1CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2242040832 ZMBMIFOGKUGTOK-SIKLNZKXSA-N 455.437 4.688 50 10 JJGE C[C@H](Br)C[C@H]1CCCN1C(=O)Cc1cc(Br)cc(Br)c1 2295307979 RGGVODQQQSOEMP-IINYFYTJSA-N 468.027 4.919 50 10 JJGE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 2296542765 LXKVUFCEHWAARU-UHFFFAOYSA-N 477.929 4.787 50 10 JJGE Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=C(C#N)C(=O)Nc1ccc(N2CCOCC2)cc1 2297391138 SYPWQAPZJOHITN-UHFFFAOYSA-N 482.371 4.870 50 10 JJGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OC)c(OCc4ccccc4)c3)nc2c1 2331046312 BVGNCVWGXJVEJM-UHFFFAOYSA-N 467.481 4.774 50 10 JJGE C[C@]1(CBr)CC(F)(F)CN1Cc1ccc(Cl)c(I)c1 2337225467 MDSIPKOIJHAVRX-GFCCVEGCSA-N 464.519 4.939 50 10 JJGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1ccc2c(c1Br)CCO2 2364236707 SPBKYHIHPWOURM-NSHDSACASA-N 485.401 4.971 50 10 JJGE COc1ccc(CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2Br)c(C(F)(F)F)c1 2364638243 QSMXVIKLBYXCRY-LSDHHAIUSA-N 454.283 4.613 50 10 JJGE COc1cc(F)c(CBr)c(OCc2cccc(I)c2)c1 2367527473 SZZPQZPTJGTAPV-UHFFFAOYSA-N 451.073 4.913 50 10 JJGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)CCC(=O)Nc1ccc(C)c(C)c1 10683446 GXPVQCUUFZWREH-VGSWGCGISA-N 453.583 4.541 50 10 JJGE CC(C)c1ccc(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc1 12583749 WKTAPUDFUQCMAN-UFFVCSGVSA-N 454.162 4.864 50 10 JJGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 14644489 BOFYIYOFAJOEAD-UONOGXRCSA-N 491.769 4.638 50 10 JJGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)c1 38658592 FOGFGPITPFBQKH-AREMUKBSSA-N 486.524 4.930 50 10 JJGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc21 38660732 QNBNKPAAQPIVMQ-DEOSSOPVSA-N 491.341 4.824 50 10 JJGE C#CCOc1ccc(Br)cc1C=NNC(=O)[C@H](C)Oc1cccc2ccccc12 252627710 RZZNKYIDHANPFA-INIZCTEOSA-N 451.320 4.532 50 10 JJGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3F)nnc2-c2ccccc2)cc1 254319750 ZTJBLABJZPMIGB-UHFFFAOYSA-N 475.549 4.715 50 10 JJGE O=C(Cc1cn2ccsc2n1)NN=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 254484981 WTXAAWJXYMQOSQ-UHFFFAOYSA-N 466.526 4.688 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cccc(C)c3)cc2OCC)cc1 254577398 FDEBETWGSDKGRD-UHFFFAOYSA-N 490.556 4.931 50 10 JJGE O=C(CBr)c1cc(OC(F)(F)F)cc(I)c1Br 575694563 IBRUAGGOBSDVGL-UHFFFAOYSA-N 487.835 4.530 50 10 JJGE O=C(NC1(CBr)CCCCCCC1)c1cccc(I)c1 713449116 KVFDFYYNJQHPLQ-UHFFFAOYSA-N 450.158 4.899 50 10 JJGE C[C@H]1CCCN(C(=O)c2ccc(I)c(Br)c2)[C@H]1CCl 721508372 ILWUBDILZPCQTG-ZANVPECISA-N 456.549 4.533 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 1084025254 PGQGFDUNGRTGHO-OAQYLSRUSA-N 471.897 4.871 50 10 JJGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NNC(=O)c1ccc(Br)cc1 1084036325 UPHCFPVUMQKSSK-UHFFFAOYSA-N 466.383 4.697 50 10 JJGE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNC(=O)COc1cc(C)ccc1C(C)C 1124339669 XQUSCGXENXUWLS-UHFFFAOYSA-N 450.457 4.542 50 10 JJGE C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NNc1c(Cl)cc(Br)cc1Cl 1465464708 ZBYAXWFYDHOBET-SNVBAGLBSA-N 455.139 4.714 50 10 JJGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681820 XTMABTKNDBHCOV-JOCHJYFZSA-N 486.915 4.831 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccc[nH]2)C(C#N)=C(N)O3)cc1 1865709403 BMYNDLAHEHOXAG-OAQYLSRUSA-N 457.921 4.807 50 10 JJGE COc1ccc(OCCCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1 1865759218 OGWMYDKHRRYYNF-UHFFFAOYSA-N 488.371 4.993 50 10 JJGE CCN1C(=O)COc2ccc(/C(C)=N\NC(=O)c3ccc(-c4ccc(C)c(C)c4)nc3C)cc21 1865762923 KMSUYAHMFUAZQP-MIXAMLLLSA-N 456.546 4.573 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@@H]2COC3(CCCCC3)C2)C1 1879030762 WKWGCZVCLLWXQQ-OXJNMPFZSA-N 479.399 4.700 50 10 JJGE Brc1cc(Br)c(OC[C@@H]2C[C@@H]2Br)c(CNC2CC2)c1 1887832692 ITIRAKSRIASGDK-CABZTGNLSA-N 454.000 4.626 50 10 JJGE COc1cccc(C=C(C#N)S(=O)(=O)c2cc(Br)ccc2Br)c1OC 2040461411 OORHSDGLMLYTTG-UHFFFAOYSA-N 487.169 4.567 50 10 JJGE O=C(N[C@H]1CCC[C@@H]1CCBr)c1ccc(Br)cc1Br 2090572636 OWHDUMCZFAIZRS-RNCFNFMXSA-N 454.000 4.895 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CCC[C@@H](CBr)CC1 2094091675 WOSSAVGTMUPWCM-SNVBAGLBSA-N 454.000 4.849 50 10 JJGE CC(C)(C)[C@]1(CBr)CCN(C(=O)c2ccc(I)cc2)C1 2160942355 OXXXGZXWIAUTJQ-INIZCTEOSA-N 450.158 4.565 50 10 JJGE CC(C)(C)[C@@]1(CBr)CCN(C(=O)c2ccc(I)cc2)C1 2160942356 OXXXGZXWIAUTJQ-MRXNPFEDSA-N 450.158 4.565 50 10 JJGE CN(C1CC(OCc2ccccc2)C1)S(=O)(=O)c1cc(Cl)cc(CBr)c1F 2179862049 QBMOUFWJVFAPMF-UHFFFAOYSA-N 476.795 4.742 50 10 JJGE F[C@@H](COc1c(Br)cc(Br)cc1CBr)[C@@H]1CCOC1 2229949904 OSFCXKXXKBVLDE-PELKAZGASA-N 460.963 4.860 50 10 JJGE CCN(C[C@](C)(CI)OCCCCCCOC)C(=O)OC(C)(C)C 2249960372 CWETYPFCMXKATB-SFHVURJKSA-N 457.393 4.661 50 10 JJGE CC1(C)CC[C@H](CBr)N(C(=O)c2ccc(Cl)c(I)c2)C1 2283661696 HKCHYBHLYSRDCF-LLVKDONJSA-N 470.576 4.970 50 10 JJGE COc1ccc(CCNC(=O)C(C#N)=Cc2ccc(OCc3ccccc3)c(OC)c2)cc1OC 2295266154 BZSWWVUEAJITQL-UHFFFAOYSA-N 472.541 4.557 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@H](Br)[C@@H]2CC[C@H]21 2295314066 SRISVCVIQMOKFN-MELADBBJSA-N 466.011 4.529 50 10 JJGE Cc1c(Br)cccc1C(=O)N[C@@H](CCBr)COCc1ccccc1 2303548804 KVUWPIRBMVFLTE-INIZCTEOSA-N 455.190 4.858 50 10 JJGE CC(C)(CI)CN1CCCCN(Cc2ccccc2)CC(F)(F)C1 2306810015 PDILZKJVHCCNTJ-UHFFFAOYSA-N 450.355 4.681 50 10 JJGE Brc1cc(CN2C[C@H]3C[C@H](Br)C[C@H]2C3)ccc1I 2325225747 INHJSYCBMFYDJX-SDDRHHMPSA-N 485.001 4.802 50 10 JJGE CN(Cc1ccccc1I)c1ccnc(Cl)c1CBr 2328558629 CFRMHHDMMRLWOD-UHFFFAOYSA-N 451.533 4.871 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)cc2)sc(C(=O)OCC(C)C)c1C 2329622271 DNNKXUADZWGFKG-UHFFFAOYSA-N 470.547 4.600 50 10 JJGE N#CC(=C(O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(F)cc2)cs1 2331344493 QZXXLZWICFMIHG-UHFFFAOYSA-N 478.461 4.726 50 10 JJGE O=C(O)CC/C(=N\NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1cccs1 9403608 MGLNIWYHQAJDRS-LGUFXXKBSA-N 464.572 4.916 50 10 JJGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1OC 16688085 MPMGATBZCPZFRL-FQEVSTJZSA-N 481.350 4.569 50 10 JJGE Cc1cc(OCCn2cc(/C=C(/C#N)C(=O)NC[C@@H]3CCCO3)c3ccccc32)ccc1Cl 33489448 GKSGMMDURUCARK-DJAVKIJBSA-N 463.965 4.884 50 10 JJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1 38650594 IRZMGDUXNSFZBQ-VWLOTQADSA-N 456.498 4.921 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@H]1c1cccc(Br)c1 38651557 OQJCJMPEDCFRDO-HSZRJFAPSA-N 461.315 4.815 50 10 JJGE CCCc1ccc(OCC(=O)N/N=C/c2ccc(OC(C)C)c(OC)c2)c(Br)c1 40960138 RMQHEVXTBVNDOV-ZMOGYAJESA-N 463.372 4.727 50 10 JJGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)C1=O 101230991 OKWBAIUUIQOXKH-FYJGNVAPSA-N 484.943 4.980 50 10 JJGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)C1=O 101334073 FZPBXPVSFHBQBO-UEIZDATPSA-N 496.567 4.947 50 10 JJGE CC(C)N(CCBr)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 124246370 RGFADYKBPZMYJV-UHFFFAOYSA-N 454.011 4.550 50 10 JJGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCC)c(OCC)c2)c(OC)c1 206510371 UXXQVPJMEDRGNX-JFCNABASSA-N 478.545 4.545 50 10 JJGE O=C(NCCCCCI)c1cc(Br)cc(Br)c1 232479514 QGQFFDZUEOTAJO-UHFFFAOYSA-N 474.962 4.547 50 10 JJGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(F)c3)n2-c2ccc(C)cc2)cc1 254826463 BAUAMOONBNTFCO-UHFFFAOYSA-N 459.550 4.933 50 10 JJGE ClCc1nc2cc(I)ccc2n1C[C@H]1CCN(Cc2ccccc2)C1 385508401 MGTBPAHWBBFBFI-INIZCTEOSA-N 465.766 4.902 50 10 JJGE O=C(CBr)c1cc(C(F)(F)F)cc(I)c1Br 575694543 HKEUATNEJNCARN-UHFFFAOYSA-N 471.836 4.650 50 10 JJGE O=C(c1scc(Br)c1Br)N1CCCC[C@@H](CBr)C1 705440915 FEUSSOKGTNTDIH-QMMMGPOBSA-N 460.029 4.910 50 10 JJGE CC(C)c1ccc(NC(=O)COC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1 761410211 MBZHJPVMTVUHJD-PXLXIMEGSA-N 467.529 4.676 50 10 JJGE C[C@H](Sc1ccccn1)C(=O)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 1083889727 PMUPLKWKBUBUQQ-SFHVURJKSA-N 466.566 4.783 50 10 JJGE COc1ccc(C(=O)NN=Cc2c(Br)c(C)n(-c3cccc(C)c3)c2C)cc1OC 1084439955 NBVIJGCGAHVERB-UHFFFAOYSA-N 470.367 4.946 50 10 JJGE COc1cc(C(=O)NNC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)ccc1OCCC(C)C 1087669577 XGBQMYKQIUNQDG-MSOLQXFVSA-N 464.484 4.704 50 10 JJGE CC(=O)N(Cc1ccc(NC(=O)NNc2ccc(Cl)c(Br)c2)cc1)C1CC1 1562395572 OMAJZRNEABOARB-UHFFFAOYSA-N 451.752 4.762 50 10 JJGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865684185 VSXZRMAIZMWAMD-OAQYLSRUSA-N 455.905 4.814 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(O)cc1 1865684609 TVESWKCGHXZDQC-MRXNPFEDSA-N 464.806 4.666 50 10 JJGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865695242 ALVIDQPWWISYPP-GOSISDBHSA-N 471.742 4.774 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccncc2)C(C#N)=C(N)O3)cc1 1865702137 NPTWFFLJAIBZQN-OAQYLSRUSA-N 455.905 4.814 50 10 JJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(C(=O)O)cc1)C(C#N)=C(N)O2 1865709262 SGHFVAQSIOUIQA-GOSISDBHSA-N 455.301 4.658 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(C(=O)O)cc1)C(C#N)=C(N)O2 1865709426 VIDJIDPHVXHUKP-LJQANCHMSA-N 479.334 4.504 50 10 JJGE CC[C@](C)(NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(SC#N)cc1 1866867058 MBODPNCEJCDTNE-RDPSFJRHSA-N 481.647 4.522 50 10 JJGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(C(C)(C)C)C3)n2)cc1Cl 1872756696 WDMPTNQEPBKPDD-SXPRPLFSSA-N 461.971 4.920 50 10 JJGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)CN2C(=O)c3ccccc3C2=O)n1 1872758945 XZLKDIBDAKWYAG-VLGSPTGOSA-N 451.891 4.561 50 10 JJGE C[C@]1(CI)CC[C@H](c2ccc(Cl)cc2I)O1 1903698932 IVAOBGGLJCOXHC-VXGBXAGGSA-N 462.496 4.990 50 10 JJGE O=C(N[C@H](CCBr)C(F)(F)F)c1cc(Br)sc1Br 1918521271 ZBPGZGUSAAYROF-RXMQYKEDSA-N 473.934 4.719 50 10 JJGE CC[C@@H](Cl)C(=O)Nc1cc(Br)c(I)c(Br)c1 1976930696 FQJGPKMDQRACRF-MRVPVSSYSA-N 481.353 4.772 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1CC[S@@](=O)(=NCC2(CBr)CCCC2)C1(C)C 2106789347 XSLSSTNLHIUIGU-WZQKQDCOSA-N 451.471 4.733 50 10 JJGE COc1cc(Br)c([C@@H](Br)C2(Br)CC2)c(OC)c1OC 2125500883 PDDKFLSRWUELAN-GFCCVEGCSA-N 458.972 4.838 50 10 JJGE Cc1cccc(C(=O)N2C[C@](C)(CBr)CC2(C)C)c1I 2199543043 XTXHYTGCQBMEIP-INIZCTEOSA-N 450.158 4.625 50 10 JJGE COCCCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 2296539412 VTOBSFXQLXRLHW-UHFFFAOYSA-N 458.562 4.695 50 10 JJGE CC[C@H](C)[C@H](CI)NCc1ccc(Cl)cc1I 2302310177 UYOBSZZHAYUOSD-ZANVPECISA-N 477.555 4.884 50 10 JJGE C[C@H]1CO[C@@](CBr)(Cc2ccc(I)c(Br)c2)C1 2306226909 KMCWJNMDLNSUDY-NOZJJQNGSA-N 473.974 4.786 50 10 JJGE C[C@H]1[C@H](C)N(C(=O)c2cc(Br)c(Br)s2)CC[C@H]1Br 2321284049 BOEXZUUSYQWRNK-BIIVOSGPSA-N 460.029 4.907 50 10 JJGE COc1cc(C=NNC(=O)c2nc(-c3ccccc3)sc2C)cc([N+](=O)[O-])c1OC(C)C 2323750266 WVKOXZDAAWGQBB-UHFFFAOYSA-N 454.508 4.586 50 10 JJGE COc1cccc(-c2csc(C(C#N)=C(O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c1 2331246673 LMBGPPLBWOTKMX-NRFANRHFSA-N 459.527 4.932 50 10 JJGE CC[C@@]1(C)[C@H](Cl)CCN1C(=O)c1ccc(Br)cc1I 2336760158 WURNPKIXHPGWJG-OCCSQVGLSA-N 456.549 4.676 50 10 JJGE O=C(N[C@H]1C[C@H](CBr)C12CCC2)c1csc(Br)c1Br 2351635210 PSNRANGGXYXNIA-APPZFPTMSA-N 472.040 4.957 50 10 JJGE Cc1nc(Br)c([C@@H](Br)c2cc(Br)c3c(c2)CCO3)n1C 2362482433 FLYOVKBZVIBABD-NSHDSACASA-N 464.983 4.673 50 10 JJGE Cn1nc(Br)c(Br)c1[C@@H](Br)Cc1ccc([N+](=O)[O-])cc1 2364231129 VQAAJDCHICFOIR-VIFPVBQESA-N 467.943 4.532 50 10 JJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccccc2C(C)C)c(Br)c1 14832189 XJENEXAMSRGXGG-INIZCTEOSA-N 477.399 4.691 50 10 JJGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3[N+](=O)[O-])S/C2=C(\C#N)C(=O)NCc2ccccc2)cc1 16739763 VSVDWUAOJJMFND-VECHRTTRSA-N 498.564 4.646 50 10 JJGE COc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)c3nnc4n3CCCCC4)cc2OC)cc1 34799568 UOFOOHOYIPFJIX-JFJYUCGMSA-N 495.539 4.598 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@H]1c1c(F)cccc1Cl 38680209 RRAGNQSQSWAUBQ-JOCHJYFZSA-N 468.843 4.821 50 10 JJGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1 38682257 CFLOODOAQBAEDW-QFIPXVFZSA-N 459.483 4.754 50 10 JJGE CC(C)c1ccc2c(c1)/C(=N\NC(=O)COc1ccc(C(C)(C)c3ccccc3)cc1)C(=O)N2 59154073 USMKQTQMDWAUHX-UHFFFAOYSA-N 455.558 4.987 50 10 JJGE COc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccc(Br)cc2)c(OC)c1 96095880 RQGWORKBVYOFIH-AFUMVMLFSA-N 469.335 4.809 50 10 JJGE CC(C)[C@@H](CCBr)NC(=O)c1cc(I)ccc1Br 231124105 PVEJEZRZIOGVBB-GFCCVEGCSA-N 488.989 4.593 50 10 JJGE O=C(N[C@@H]1CCCC[C@@H]1CCl)c1cc(Br)ccc1I 231604351 VTFCLXTXNQGORW-NOZJJQNGSA-N 456.549 4.581 50 10 JJGE COc1cc2c(cc1NC(=O)CC(C)=NNC(=O)c1ccc(OC)c(OC)c1)oc1ccccc12 254571531 ZLWNGWIQIBONMT-UHFFFAOYSA-N 475.501 4.746 50 10 JJGE CC(C)(C)OC(=O)N1C(=O)OC(=O)[C@H]1CCCNC(=O)OCC1c2ccccc2-c2ccccc21 309660416 LSHXTBOJSKJSQG-OAQYLSRUSA-N 480.517 4.588 50 10 JJGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccccc1OC(=O)c1ccc(Cl)cc1 725389657 ZSUSONAOBCONJQ-UHFFFAOYSA-N 464.934 4.678 50 10 JJGE Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1 729344384 GDMBHZMANPAPFO-QCBCRBAMSA-N 467.529 4.558 50 10 JJGE N#CSc1ccc(NC(=O)Nc2ncccc2OCC(=O)Nc2ccccc2Cl)cc1 1858827879 SSRSBXLDENBTRN-UHFFFAOYSA-N 453.911 4.970 50 10 JJGE N#CSc1ccc(NC(=O)C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 1860738237 WZCQMQNFPGKZQK-UHFFFAOYSA-N 459.350 4.723 50 10 JJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc1OCC 1865688642 XSZZDMCUDUNTBX-DEOSSOPVSA-N 462.525 4.785 50 10 JJGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865693578 XABDVOWKYHKNIE-JOCHJYFZSA-N 464.953 4.773 50 10 JJGE COc1ccc(-c2ccc(C(=O)NNC(=O)/C=C/c3ccc(Cl)cc3Cl)c(C)n2)cc1 1865757225 SJPQHIOBXPTJNI-WUXMJOGZSA-N 456.329 4.847 50 10 JJGE Cn1ncc(Br)c1[C@H](Cl)c1sc(Cl)cc1I 1900920751 XTUKIXKFCQGEGL-ZETCQYMHSA-N 451.942 4.830 50 10 JJGE CC(C)[C@@H](CI)NCc1c(Br)cccc1Br 1937823820 UMABHDWAMURVQC-GFCCVEGCSA-N 460.979 4.761 50 10 JJGE CC(C)[C@@H](Br)CCNC(=O)c1cc(Br)ccc1I 2029917413 RPQIDNCDGHWRFM-NSHDSACASA-N 488.989 4.593 50 10 JJGE C[C@H]1CCN(C(=O)c2csc(Br)c2Br)C[C@@H]1CBr 2032955817 FQBOBWICXIPMKC-YUMQZZPRSA-N 460.029 4.766 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1[C@H]2CC[C@@H](C2)[C@H]1CBr 2058373401 KMBHPGNSZZQFJW-ACLDMZEESA-N 458.013 4.661 50 10 JJGE O=C(N[C@@H]1CCC[C@H](CBr)C1)c1c(Br)cccc1Br 2094089342 VVRYGAPGCIZGCW-VHSXEESVSA-N 454.000 4.895 50 10 JJGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Cl 2123211394 VWHPNPUZIZAJGF-UHFFFAOYSA-N 460.821 4.852 50 10 JJGE BrCc1c(Br)cccc1N1CC[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2129055610 RPWVSPQAHOWASS-NHCUHLMSSA-N 480.244 4.824 50 10 JJGE BrCc1ccc2c(c1)CN(c1ncc(I)cc1Br)C2 2133372854 OZYDDMFJSTYEEJ-UHFFFAOYSA-N 493.968 4.864 50 10 JJGE CC1(C)CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(Cl)c(CBr)c1 2179788632 FLSNVTBTCMCEAN-UHFFFAOYSA-N 471.848 4.520 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N[C@]2(C)CCC[C@H]2Br)cc1Br 2182703409 APZWKYWIXLNTFU-CHWSQXEVSA-N 490.055 4.504 50 10 JJGE CC[C@H]1CN(c2ncc(C(F)(F)F)cc2I)C[C@@H]1CBr 2205684409 RNYNYXZXGZMAPM-IUCAKERBSA-N 463.079 4.562 50 10 JJGE C[C@@H](CBr)[C@H]1CCCCN1C(=O)c1ccc(Cl)c(I)c1 2283665618 WOMIJAVLBGHYGR-IINYFYTJSA-N 470.576 4.970 50 10 JJGE CCCc1nn2c(=O)cc(COc3ccc(C=C(C#N)C(=O)Nc4ccccc4C)cc3)nc2s1 2297350787 UGVBARGQIRILPV-UHFFFAOYSA-N 485.569 4.537 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2314616777 JMPXTQWFSQEDOO-UHFFFAOYSA-N 453.454 4.956 50 10 JJGE N#CC(=C(O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccccc2)cs1 2331304909 SJRLKKFAOBOWPQ-UHFFFAOYSA-N 460.471 4.587 50 10 JJGE O=C(NCC(F)(F)C(F)(F)CBr)c1ccc(Br)cc1Br 2361684021 JENRSPYGZKVARX-UHFFFAOYSA-N 485.895 4.607 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CC2(CC[C@@H]1CBr)CC2 2365590896 DEOZNMMXIFAUMM-LLVKDONJSA-N 468.560 4.724 50 10 JJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(C)cc3)c(OCC)c2)C1=O 38606627 PPOIASYGBWAIAZ-LFVJCYFKSA-N 488.584 4.992 50 10 JJGE COc1cc(/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 38606724 AXFGIKNUCVKMDE-BUVRLJJBSA-N 488.584 4.990 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1 38650285 NZIASEUOBNFUDT-XMMPIXPASA-N 462.889 4.551 50 10 JJGE O=C(CCc1ccc2c(c1)OCO2)N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21 59159078 RGRJSDNRPRQIFA-PNOGMODKSA-N 477.520 4.568 50 10 JJGE CCOC(=O)c1cccc(NC(=O)[C@@H](Br)[C@@H](Br)c2ccccc2)c1 101642803 FOQBMBNBWMEGGZ-HOTGVXAUSA-N 455.146 4.702 50 10 JJGE Cc1ccc(C)c(-n2c(SCC(=O)/C(C#N)=C3\Nc4ccccc4N3C)nc3ccccc3c2=O)c1 209865599 DOIJBHPSQWQDFE-LHLOQNFPSA-N 493.592 4.961 50 10 JJGE N#C/C(=C/Nc1cccc2cccnc12)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216504677 RCVIXYKQMNEFCD-ROMGYVFFSA-N 473.580 4.988 50 10 JJGE O=C(Cc1ccccc1)NN=C1C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21 254372533 OCAYXTZPCRDXIJ-UHFFFAOYSA-N 488.591 4.756 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2ccc(O)c(Br)c2)C1 382684602 BVUNTPJRXVCQTQ-CVEARBPZSA-N 469.173 4.902 50 10 JJGE CCO[C@@H]1CCC[C@@H](O[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 721652121 IOYYUCDCDNOOTQ-GPMSIDNRSA-N 467.388 4.555 50 10 JJGE CC1(C)[C@@]2(/C=C\[C@@]34CC[C@@](C(=O)O)([C@@H]3Br)C4(C)C)CC[C@@]1(C(=O)O)[C@@H]2Br 1081155348 DZCAUHVDKAGJQC-FTNFDOHTSA-N 490.232 4.852 50 10 JJGE COc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2ccccc2C(F)(F)F)c1C 1084463689 ZRVXODFRFJKZNQ-UHFFFAOYSA-N 492.885 4.864 50 10 JJGE Cc1c(C(=O)N2CCCC[C@H]2C)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744416 WZTIDPYHSVCYDQ-CQSZACIVSA-N 472.383 4.836 50 10 JJGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccccn3)CCC4)c2n1 1772747043 KVNNZBBPAJMTCZ-UHFFFAOYSA-N 454.486 4.529 50 10 JJGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(Cl)c([N+](=O)[O-])c1 1865705826 GTGQIMODUUVJFN-IBGZPJMESA-N 465.897 4.748 50 10 JJGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)cc1 1865707106 NQHLWNBLXPLUSI-AREMUKBSSA-N 462.557 4.820 50 10 JJGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)ccc1OCCN1CCOCC1 1872791098 VTJCNNOQNHSCTQ-RCCKNPSSSA-N 491.613 4.911 50 10 JJGE COc1cccc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1OCc1cccc(Cl)c1 1873794869 FQXZSEBEAJVQHA-IYAOEYEUSA-N 487.984 4.777 50 10 JJGE COc1cccc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1OCc1ccccc1Cl 1873795242 DKMAHTXZLZGFDC-XYGFXTTESA-N 490.000 4.927 50 10 JJGE C[C@](CCl)(CI)OCc1ccc(Cl)cc1I 1901596190 HVWMMTNLOLVPER-NSHDSACASA-N 484.930 4.894 50 10 JJGE CC[C@H]1CN(C[C@@H](Br)C(F)(F)F)[C@H](CC)CN1C(=O)OCc1ccccc1 1999445328 KUWQHBNLOOXVNK-IXDOHACOSA-N 451.327 4.824 50 10 JJGE O=C(CBr)c1cc(Br)c(I)c(C(F)(F)F)c1 2054936346 GZEKCAPQBOOLAG-UHFFFAOYSA-N 471.836 4.650 50 10 JJGE O=C(NC[C@H](Br)CC(F)(F)F)c1cc(Br)sc1Br 2055496815 BBQJRZQOBRKMEQ-SCSAIBSYSA-N 473.934 4.719 50 10 JJGE FC(F)(F)Oc1cc(CCl)c(I)cc1I 2060229765 DFAWCHOKIICOOY-UHFFFAOYSA-N 462.374 4.533 50 10 JJGE CC1(C)C[C@@H](CBr)CN1C(=O)c1cc(Br)sc1Br 2064377258 UTTJQNHVHTXCEI-ZETCQYMHSA-N 460.029 4.909 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2CCCC(C)(C)O2)C1 2065757143 UNIZCAKWSPWQOT-HNAYVOBHSA-N 467.388 4.555 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CCC12CC(CBr)C2 2104558061 WQJQGWCVUYMLFJ-UHFFFAOYSA-N 451.984 4.601 50 10 JJGE CC(C)(C)[C@]1(CBr)CCN(C(=O)c2csc(I)c2)C1 2104653159 FGPVNCBVKPLNGQ-AWEZNQCLSA-N 456.187 4.626 50 10 JJGE C[C@@H](Br)C[C@@H]1COCCN1Cc1c(Br)cccc1Br 2128864891 NBXOIQJSDXVLSF-GHMZBOCLSA-N 456.016 4.586 50 10 JJGE O=C(NC[C@@H]1C[C@H](Cl)C12CCC2)c1cc(I)ccc1Br 2172230643 CXGGNSCJVWLRSH-ZANVPECISA-N 468.560 4.581 50 10 JJGE C[C@H]1CN(S(=O)(=O)c2cc(CBr)c(Cl)cc2Cl)CCN1Cc1ccccc1 2179831571 YNRMOGMAWYENCF-AWEZNQCLSA-N 492.266 4.783 50 10 JJGE CC(C)(C)[C@H]1[C@H](Cl)CCN1C(=O)c1ccc(Br)cc1I 2207263065 VOXWZRFTXSNUBJ-DGCLKSJQSA-N 470.576 4.922 50 10 JJGE CC1(C)CCC[C@]1(CCl)NC(=O)c1ccc(Br)cc1I 2207265248 OWTIMMIPODCIHU-OAHLLOKOSA-N 470.576 4.971 50 10 JJGE CCC[C@@H](CBr)CNC(=O)Cc1cc(Br)cc(Br)c1 2277924745 DHFLYCNTGFLIND-JTQLQIEISA-N 456.016 4.682 50 10 JJGE CC[C@@H](N)Cc1cc(Br)c(OC[C@@H]2C[C@@H]2Br)c(Br)c1 2332469808 IFACXYNAXRBWKJ-AXFHLTTASA-N 456.016 4.654 50 10 JJGE O=C(N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O)c1cc2c(ccc3ccccc32)o1 8437824 NCTOYSKTPHNTIQ-YVNNLAQVSA-N 454.236 4.726 50 10 JJGE CC(C)(C)c1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)cc1 10334307 NAFRWHHQEYFXQE-UHFFFAOYSA-N 475.614 4.555 50 10 JJGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1Cl 14643036 ABZCAOZZIRYXGG-NSHDSACASA-N 460.155 4.601 50 10 JJGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCC#N 59303737 DKMZSZBXZWEQOE-BHGWPJFGSA-N 476.714 4.914 50 10 JJGE C/C(=N/NC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1)c1ccc(C)cc1 59475322 FBCYEPBCODAQBY-RRAHZORUSA-N 470.602 4.820 50 10 JJGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)/C(C#N)=C\NCCc1ccc(Br)cc1 217187767 KGXJFVSAENOGET-JFPYRBRCSA-N 456.384 4.573 50 10 JJGE COc1cc(Cl)c([C@H](Br)c2cnn(C)c2I)cc1Cl 381946714 VOLDAPHQFISUBY-NSHDSACASA-N 475.939 4.824 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](CBr)[C@H](c2ccccc2I)C1 382681627 ANCVKLMVURODSM-WCQYABFASA-N 466.157 4.637 50 10 JJGE CN(C(=O)c1cccc(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)c1)c1ccccc1 729297262 FDCLYDHWFNKMPQ-UHFFFAOYSA-N 497.526 4.756 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)NCc2ccnc(Oc3ccccc3)c2)c(-c2ccccc2)n1 918578142 FABPLDUMJNWZQY-QJOMJCCJSA-N 474.524 4.874 50 10 JJGE CCOc1cc(C=NNC(N)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084092384 ASJIARPFLNVMII-UHFFFAOYSA-N 461.143 4.736 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C1 1614617220 UPIMHWORHJVYGG-HOTGVXAUSA-N 453.720 4.995 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OC(=O)c1ccccc1 1865705045 KQBOFXVZQGRCEG-VWLOTQADSA-N 478.508 4.627 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865705737 DLOMUEUAAHJDNQ-QHCPKHFHSA-N 497.486 4.872 50 10 JJGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@H]2c1cccc(OC)c1OCc1cccc(C)c1 1865705856 HHJHSFWOIVMTGH-HSZRJFAPSA-N 458.562 4.970 50 10 JJGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865706822 GGLIDORIQFFXAD-DEOSSOPVSA-N 458.562 4.736 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](NC(=O)C[C@H]2CC(=O)c3ccccc32)c2ccccc2)cc1 1867244847 ZWSQCYLMDAFYQD-IQGLISFBSA-N 455.539 4.816 50 10 JJGE C[C@@H]1CC[C@](CCl)(NC(=O)c2cc(I)ccc2Br)C1 1880882921 RMKHNYHEWGKBNW-OTYXRUKQSA-N 456.549 4.581 50 10 JJGE Cc1sc(Br)cc1S(=O)(=O)N(CCCBr)Cc1ccccc1 1914642065 QYDZIGLMHMZLSX-UHFFFAOYSA-N 467.248 4.795 50 10 JJGE C[C@H](Br)[C@@H]1CCCCN1c1ncc(I)cc1Br 2015761936 DZRQXHBGTSOYNY-KWQFWETISA-N 473.978 4.591 50 10 JJGE BrCC[C@@H]1CN(Cc2c(Br)cccc2Br)CCS1 2033092452 BEYNSUATVROUCE-SNVBAGLBSA-N 458.057 4.914 50 10 JJGE CCCc1ccc(C(=O)C(C#N)=Cc2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)cc1 2040448503 WRWBFSZOYJFVBR-UHFFFAOYSA-N 490.581 4.710 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CCC2(CC(Br)C2)C1 2053732671 KAPCTBRPOADUTD-UHFFFAOYSA-N 458.013 4.663 50 10 JJGE O=C(c1csc(Br)c1Br)N1CCC(F)(F)[C@@H](CBr)C1 2093941764 BTVUQWLNGNLMDV-LURJTMIESA-N 481.982 4.765 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H]2[C@H](Br)CCC[C@H]2C1 2094581158 NHUQMYDPAWINBJ-QXFUBDJGSA-N 472.040 4.909 50 10 JJGE Clc1cc2c(cc1[C@H](Br)c1cc(I)sn1)OCCO2 2120031380 ISNKQSQNSLCLTJ-LBPRGKRZSA-N 472.529 4.657 50 10 JJGE O=S(=O)(c1ccc(CBr)c(Cl)c1)N(Cc1ccccc1)C[C@@H]1CCCO1 2123209392 YTSPXZSNFSLHSV-KRWDZBQOSA-N 458.805 4.605 50 10 JJGE CC1(C)[C@@H](Br)CC[C@@H]1NC(=O)c1cc(Cl)ccc1I 2142132110 DPPFCQODYWJYOL-RYUDHWBXSA-N 456.549 4.627 50 10 JJGE CN([C@@H](CCBr)C(F)(F)F)S(=O)(=O)c1cc(Cl)c(Br)s1 2178519059 WMLVTLUVNPKBGD-LURJTMIESA-N 479.565 4.500 50 10 JJGE Br[C@@H](c1cc(I)sn1)c1ccc([C@@H]2CCOC2)s1 2223721821 CYZAAMWKUQKVAQ-KRTXAFLBSA-N 456.168 4.797 50 10 JJGE CC(C)(CI)CN1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C 2306817931 FIWBHXPNCMXCQO-HZPDHXFCSA-N 450.405 4.702 50 10 JJGE CCN(C[C@@](C)(CI)OCC1(C(C)(C)OC)CC1)C(=O)OC(C)(C)C 2320554276 YZMCBUJVWIABOC-GOSISDBHSA-N 469.404 4.659 50 10 JJGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2321143268 UGNAXCFKCZDGOH-UHFFFAOYSA-N 471.300 4.746 50 10 JJGE F[C@@H](CBr)C1CCN(Cc2ccc(Cl)c(I)c2)CC1 2337226941 FGPRETKBOAFYST-ZDUSSCGKSA-N 460.556 4.890 50 10 JJGE CN(Cc1ccc(I)c(Br)c1)C1(CCl)CCSCC1 2349823688 FDOKKAJEPQNFGM-UHFFFAOYSA-N 474.633 4.990 50 10 JJGE BrC[C@H](Cc1cccc(Br)c1)Cc1ncc(I)cn1 2353309504 MIBWLVLSSMKXOD-LLVKDONJSA-N 495.984 4.640 50 10 JJGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)cc1 34771416 JAWJMFNSQSHDRY-ZHZULCJRSA-N 477.929 4.787 50 10 JJGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1Nc1ccc(Br)cc1F 40793439 FEZYQDQITGUBCZ-UHFFFAOYSA-N 486.132 4.768 50 10 JJGE Cc1c(C(=O)N2CCC(C)CC2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811737 MQEKGVAYEYKKNZ-XIEYBQDHSA-N 472.383 4.693 50 10 JJGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)N4c5ccccc5C[C@H]4C)c(C)c32)c1 40822230 BHLWZNGZWMADBA-PNUGVWHFSA-N 457.530 4.658 50 10 JJGE CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc(Br)c1O 40960413 HIBODHDOBKQSQD-FBRGJASNSA-N 469.763 4.741 50 10 JJGE O=C(Oc1ccc(/C=N/NC(=O)C2CCCCC2)cc1)c1ccccc1I 48572143 MLMQGGAGPLHWLB-OEAKJJBVSA-N 476.314 4.541 50 10 JJGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(-c2ccc(I)cc2)o1 58887534 YMZJUZFBNWZBAK-CSMVZQPBSA-N 474.298 4.515 50 10 JJGE COc1ccc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1COc1cccc2cccnc12 207529928 DFECUHAXQJRLNX-UUYOSTAYSA-N 493.519 4.774 50 10 JJGE COc1cc(C=NNC(=O)c2cc(C(C)(C)C)n[nH]2)ccc1OC(=O)c1cccc2ccccc12 254483669 MEUFQNMFYFRVCW-UHFFFAOYSA-N 470.529 4.852 50 10 JJGE CCn1c(SCC(=O)NN=C(C)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(C(C)(C)C)cc1 254701226 NUFMHIXPMSVLSL-UHFFFAOYSA-N 480.594 4.803 50 10 JJGE CC(=NNC(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 254822376 NDIZDOMOITZJBQ-UHFFFAOYSA-N 459.531 4.625 50 10 JJGE Cc1cc(CC(CBr)(CBr)c2ccccc2Br)nn1C 688132431 UWKJITWLFRQMOG-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE C[C@H](CCl)[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1I 696716291 WWQKABKBYKYGLK-YGRLFVJLSA-N 470.576 4.923 50 10 JJGE Cc1cccc(NCCCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)c1 1084142650 UDXIDHYOCJYQIS-UHFFFAOYSA-N 469.177 4.568 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)COc3ccc(Cl)cc3Cl)cc2)cc1 1084337296 KJMGNGLHTFCIHL-UHFFFAOYSA-N 493.368 4.599 50 10 JJGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Cl)CCC3)cc1 1772744191 RUXHSMPXAOJHBX-UHFFFAOYSA-N 479.920 4.751 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)c1O 1865684066 MGHHIZCWUSHRAU-INIZCTEOSA-N 494.832 4.675 50 10 JJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)c1 1865691780 AXAONAFZLSGJCD-KRWDZBQOSA-N 476.842 4.780 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865692149 JKEAGANLGJANKV-OAQYLSRUSA-N 495.377 4.823 50 10 JJGE O=S1(=O)CC[C@H]1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 1899880807 BPLSIWJRKMNVQJ-IRXDYDNUSA-N 460.187 4.651 50 10 JJGE O=C(c1ccc(I)c(O)c1)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1915160078 WKNZOIVCFJXQKE-KRWDZBQOSA-N 455.723 4.657 50 10 JJGE COc1c(C)cc(Cn2nc(CCl)c(I)c2C(F)(F)F)cc1C 2079211948 FXCHJXNFGOTFAR-UHFFFAOYSA-N 458.649 4.919 50 10 JJGE Cc1nn(C)cc1COc1c(Br)cc(Br)cc1CBr 2087130134 KQCFFXIPCHSHTG-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE C[C@H]1C[C@H](Br)[C@H](C)CN1C(=O)c1c(Br)cccc1Br 2094100667 UNRTXMUARBRCDU-PTRXPTGYSA-N 454.000 4.846 50 10 JJGE O=S(=O)(c1cc(CCl)sc1Br)N1CCCN(Cc2ccccc2)CCC1 2096286038 YTMJLFYDFVAXMD-UHFFFAOYSA-N 477.877 4.536 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@@H](Br)CC12CCC2 2099390641 ZGOQCCANMSUAQT-VIFPVBQESA-N 451.984 4.744 50 10 JJGE CC1(C)CCC[C@@]1(CBr)NS(=O)(=O)c1cc(Cl)c(Br)s1 2150554127 DWVFTCRLPFTFTD-LBPRGKRZSA-N 465.660 4.786 50 10 JJGE CC1(C)C[C@@](C)(CBr)CN1S(=O)(=O)c1cc(Cl)c(Br)s1 2199547345 MLZYFXZCPBOKTI-LBPRGKRZSA-N 465.660 4.738 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)Cc1cc(Cl)ccc1OC(F)(F)F 2216988549 YHBWGKRQPIIULZ-NSHDSACASA-N 462.649 4.841 50 10 JJGE CC(C)(C)C(=O)[C@H](Br)Cc1ccc(Br)cc1I 2217121492 WUEVUUPJTMXNTQ-SNVBAGLBSA-N 473.974 4.975 50 10 JJGE C[C@@H]1C[C@H](Br)[C@@H](C)N(C(=O)c2cc(Br)cc(Br)c2)C1 2227593294 CLLLBBJUYFMXRZ-KKFJDGPESA-N 454.000 4.846 50 10 JJGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C[C@H](Br)C1 2242404602 HCVUGDKTBDMMOQ-DCZWBIAUSA-N 485.422 4.982 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1[C@H]2CC[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 2249340140 BWUUUKBBCWJGIZ-VPLLLXJESA-N 475.721 4.564 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCC2CC3(CC(F)C3)C2)C1 2260121671 ACQJKQCANMWCJT-LBOWEKIUSA-N 467.363 4.736 50 10 JJGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1C 2313562457 SIQKKBQLGILWNW-UHFFFAOYSA-N 457.486 4.653 50 10 JJGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCc3ccccc3)c(Oc3ccccc3Cl)nc12 2314436977 VLYNSULPCNOQQA-UHFFFAOYSA-N 470.916 4.672 50 10 JJGE C[C@@H](NC(=O)C(C#N)=CNCCc1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2 2324904629 NOZDZPNWDFFYRS-SGGRRFJASA-N 456.428 4.710 50 10 JJGE Brc1cc(CN2C[C@H](Br)CC3(CC3)C2)ccc1I 2325217723 HPAFYBKUYVUHDB-LLVKDONJSA-N 485.001 4.803 50 10 JJGE CC[C@@]1(C)[C@@H](Cl)CCN1C(=O)c1ccc(I)c(Br)c1 2336767060 PVITUZMZEZHDKN-JSGCOSHPSA-N 456.549 4.676 50 10 JJGE CCCO[C@H]1[C@@H](OCc2ccc(Cl)cc2I)C[C@H]1Br 2340110896 VQFYMPRSMRIMQJ-KWCYVHTRSA-N 459.549 4.792 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@H]2C[C@@H](Br)CC[C@H]21 2353991240 OXWKIUIKEFHXLF-OUJBWJOFSA-N 466.011 4.990 50 10 JJGE CCOc1ccc(NC(=O)[C@H](c2ccccn2)N(C(=O)CCl)c2ccc(OCC)cc2)cc1 4789146 AIYAXQOIHLLLFB-DEOSSOPVSA-N 467.953 4.831 50 10 JJGE COc1cc(C=NNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)cc(OC)c1OC 8455927 FGPYNRYHOPTEOH-UHFFFAOYSA-N 460.486 4.802 50 10 JJGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3ccc4c(c3)OCO4)c(OC)c2)cc1OC 31902071 ULMNVIPBGOMHFM-GRSHGNNSSA-N 459.454 4.724 50 10 JJGE C[C@@H](Cl)C(=O)N1CCN(c2nc(CCc3ccccc3)nc3sc4c(c23)CCCC4)CC1 35849198 FFEAAWOJIZTQGA-QGZVFWFLSA-N 469.054 4.631 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(CC)cc2)c(OC)c1 40990332 OQJNXOIDHMWCER-OQKWZONESA-N 464.562 4.845 50 10 JJGE COC(=O)c1ccsc1NC(=O)/C(C#N)=C\c1cccc(OC)c1OCc1ccccc1C 96438581 WLTWRHAWVJXFHR-UYRXBGFRSA-N 462.527 4.976 50 10 JJGE O=C(NC1CCCC1)[C@H](c1ccc(F)cc1)N(CCc1ccc(Cl)cc1)C(=O)CCl 97915042 SKXXYBNNRMEIBZ-QFIPXVFZSA-N 451.369 4.889 50 10 JJGE CCN(CC)C(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 100869234 CGEABFZZHJWWEE-QCZZGDTMSA-N 460.048 4.541 50 10 JJGE CNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(C)c(C)c1 101240757 YPARLGAHLQWRCF-ZSYKKXJESA-N 460.386 4.783 50 10 JJGE CCCCCCCOc1cc(C(NC(=O)C(Cl)Cl)NC(=O)C(Cl)Cl)ccc1OC 101328835 OUGWIQDHBWZSKB-UHFFFAOYSA-N 488.239 4.883 50 10 JJGE O=S(=O)(O)c1cccc(P(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)c1 116766625 DRJFKTPFPJPPLL-UHFFFAOYSA-N 478.350 4.729 50 10 JJGE COc1ccc(C(=O)Oc2cc(C=NNC(=O)c3cccc4ccccc34)ccc2OC)cc1 252622965 OGSJHJZUYFHPEQ-UHFFFAOYSA-N 454.482 4.840 50 10 JJGE C=CCc1cccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1O 254668861 HTDCYOMBWVHYNB-UHFFFAOYSA-N 469.570 4.611 50 10 JJGE CC1(CBr)CCN(C(=O)c2cc(Cl)ccc2I)CC1 401562029 YRVZWHIMWXZPBO-UHFFFAOYSA-N 456.549 4.582 50 10 JJGE C[C@@H]1CCCN(C(=O)c2cc(Br)ccc2I)[C@@H]1CCl 688669106 WLWLHNTVGACIEA-NOZJJQNGSA-N 456.549 4.533 50 10 JJGE CC(C)(C)N(CCCBr)S(=O)(=O)c1cc(Br)ccc1Br 691006523 NEGYEYMEJLGZHV-UHFFFAOYSA-N 492.071 4.786 50 10 JJGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cn(C)c(Br)n1 710769111 DCKDIWURDBJECA-LLVKDONJSA-N 456.935 4.577 50 10 JJGE COc1ccc(C(C)=NNC(=O)CSCc2cccc(Br)c2)cc1Br 725427872 YYSKDTBGFRPMRA-UHFFFAOYSA-N 486.229 4.994 50 10 JJGE CC(C)c1ccccc1NC(=O)COC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 761414616 HRLAGBVNCLQQDZ-QNGOZBTKSA-N 467.529 4.676 50 10 JJGE Cc1ccccc1N1CCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 818033316 HKXANILSBALURM-OQKWZONESA-N 484.991 4.681 50 10 JJGE Cc1cc(C=NNC(=O)c2ccc(CN3CCOCC3)cc2)c(C)n1-c1cccc(Cl)c1Cl 1084042840 SUTCXMUPTLJJSI-UHFFFAOYSA-N 485.415 4.997 50 10 JJGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 1084338808 GVORDVLHZLPPNF-VWLOTQADSA-N 473.529 4.866 50 10 JJGE CCOc1ccc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)cc1OC 1614618978 UTUXBYMAHFEIRI-RTBURBONSA-N 451.348 4.745 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(C(=O)O)cc1 1865708957 KCCZYPHOWKRGJR-MRXNPFEDSA-N 492.816 4.659 50 10 JJGE C[C@H](CCCCCI)NCc1ccc(I)cc1 2006097331 LODXJSBHAHRNDS-GFCCVEGCSA-N 457.137 4.765 50 10 JJGE CC(C)[C@H]1[C@H](Br)CCN1C(=O)c1cc(Br)sc1Br 2062177106 BJADCMAMRRKFFM-SCZZXKLOSA-N 460.029 4.907 50 10 JJGE BrCCOC1CCN(Cc2cc(Br)ccc2Br)CC1 2118534646 LKGAYGZWBQDAPI-UHFFFAOYSA-N 456.016 4.588 50 10 JJGE CN(CC(C)(C)CBr)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2150967355 KWWCGHFVBGOHPN-UHFFFAOYSA-N 468.038 4.798 50 10 JJGE Fc1cc(Br)cc(N2CC[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)c1CCl 2185506547 BQMQRDIYEXRRAF-LEWJYISDSA-N 453.783 4.807 50 10 JJGE Cc1nn(C)c(CN(C)c2cc(Br)ccc2CBr)c1Br 2192430738 JVDHLUBMFFYQMG-UHFFFAOYSA-N 466.015 4.785 50 10 JJGE Fc1cc(Br)cc(N2CC[C@H]3COC[C@@H](C2)N3Cc2ccccc2)c1CBr 2204528366 YSALREPAZBQVJQ-ZWKOTPCHSA-N 498.234 4.963 50 10 JJGE O=C(c1ccc(Br)cc1I)N1[C@H](CCl)C[C@@H]2CCC[C@H]21 2207267253 FCEXXTLCAPRMTO-NURSFMCSSA-N 468.560 4.676 50 10 JJGE Fc1cc(Br)c(Br)cc1[C@@H](Br)[C@@H]1CCn2ncnc2C1 2233981511 JLHJXIHQANONJC-UHLUBPPHSA-N 467.962 4.641 50 10 JJGE CC1(C)C[C@](C)(CBr)CN1C(=O)c1ccc(Cl)c(I)c1 2283652416 UUKIMXNGCUSHGM-OAHLLOKOSA-N 470.576 4.970 50 10 JJGE CC[C@@]1(C)[C@@H](Br)CCN1c1ncc(I)cc1Br 2300038954 NAXDDNQOSAOVIZ-JQWIXIFHSA-N 473.978 4.591 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1[C@H]2CC[C@@H]1[C@@H](CBr)C2 2308530549 GKXPFEQBZQZQGO-BKPPORCPSA-N 458.013 4.661 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(C)c(C)c1 2314737264 VBPACCGZGDHPJY-UHFFFAOYSA-N 470.525 4.520 50 10 JJGE Cc1ccc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)c(Br)c1 2314755041 ORXSHUNADIBZIS-UHFFFAOYSA-N 495.329 4.558 50 10 JJGE COc1cc(C=NNC(=O)Cc2ccc(N)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 2323318143 ZWDPQJAIXKUWQY-UHFFFAOYSA-N 458.345 4.856 50 10 JJGE CCOC(=O)c1cnn(-c2ccc(C)cc2)c1NC(=O)C(C#N)=Cc1ccc(Br)cc1 2329665536 XAVLQKFZUPUANU-UHFFFAOYSA-N 479.334 4.666 50 10 JJGE Clc1ccc(CN2C[C@@H]3CCC[C@@]3(CBr)C2)c(I)c1 2341005377 NKXNQDDPQGLRCW-SWLSCSKDSA-N 454.577 4.942 50 10 JJGE C[C@@H]1[C@H](Cl)CCN(C(=O)c2ccc(Br)cc2I)[C@@H]1C 2344514183 JKZBGXBUBKOCRS-YGOYTEALSA-N 456.549 4.532 50 10 JJGE C/C(=N\NC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccco1 12491421 OCGQYCFFBJSKFF-SRZZPIQSSA-N 466.129 4.877 50 10 JJGE O=C(NN=Cc1coc2ccccc2c1=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 12728961 IHEHFNKVTIRBEP-UHFFFAOYSA-N 452.445 4.549 50 10 JJGE aggregator CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl 14768685 OXUWYCZOSCCUME-HSZRJFAPSA-N 479.964 4.731 50 10 JJGE O=C(COc1ccc2ccccc2c1Br)N/N=C/c1ccccc1Br 20533949 GLCUYOZBRIJWQB-SSDVNMTOSA-N 462.141 4.894 50 10 JJGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)NC1CCCC1 33692854 ZTTSRUATRMLIFQ-KAMYIIQDSA-N 469.328 4.759 50 10 JJGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1OC 33777016 FQWGYAGBMQTHTN-QNUPSSFOSA-N 472.497 4.529 50 10 JJGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)C(=O)N1CCOCC1 35446007 HSCCHNNQHZTYQE-BWAHOGKJSA-N 490.563 4.884 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@H]1c1cccs1 38656196 ZCXRKWPJALKOBP-LJQANCHMSA-N 453.317 4.948 50 10 JJGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3nc4ccccc4s3)c(C)c21 40813185 XSAHFHBYBRHHBW-OGLMXYFKSA-N 474.542 4.929 50 10 JJGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)c(OC)c1 40825840 FJFYBRRHPVWPTL-NJZRLIGZSA-N 498.539 4.876 50 10 JJGE O=C(CSc1ccccc1)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 59146950 DNOPCBJBRARLMS-QYQHSDTDSA-N 498.377 4.748 50 10 JJGE CC(C)Cc1ccc([C@@H](C)C(=O)N/N=C2/C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 59167100 OYXAFKGYYWHRGX-LGCDCDPDSA-N 484.556 4.964 50 10 JJGE COc1cccc(C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)c1 254522452 GPNWRCVEOMVUML-UHFFFAOYSA-N 494.503 4.898 50 10 JJGE CCN(C[C@@](C)(CI)OCCOc1ccccc1)C(=O)OC(C)(C)C 380749298 QKOMRXLUOZPULS-LJQANCHMSA-N 463.356 4.533 50 10 JJGE O=C(CBr)c1c(I)ccc(OC(F)(F)F)c1Br 575693833 BOVMSPUBXAJIOS-UHFFFAOYSA-N 487.835 4.530 50 10 JJGE C=CCN(c1ccc(C(=O)NN=C(C)c2ccc(OCC)cc2)cc1)S(=O)(=O)c1ccccc1 1083870298 AAFNGKZFEKYPCN-UHFFFAOYSA-N 477.586 4.621 50 10 JJGE O=C(COc1ccc(Br)cc1Br)NN=Cc1ccc(Br)cc1 1084366072 HVTSLVANYFDFET-UHFFFAOYSA-N 490.977 4.503 50 10 JJGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865695122 KKAPMQIGOLZCTN-HSZRJFAPSA-N 462.525 4.648 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1865713382 XUZPFSIAMLNXSQ-INIZCTEOSA-N 475.814 4.730 50 10 JJGE COc1ccc(CCN2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccccc4)cs3)CC2=O)cc1OC 1872747520 HHGPXKXNIINTBG-XZSXMJNUSA-N 475.570 4.711 50 10 JJGE C[C@@H](CCCl)N(Cc1ccccc1)C(=O)c1c(Br)c(Br)nn1C 1900969997 MKIBQZJCGSHZOM-NSHDSACASA-N 463.601 4.605 50 10 JJGE CN(C[C@@H]1C[C@@H]1Br)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 1910144154 ULUNIKZRMUZNKY-RYUDHWBXSA-N 462.182 4.652 50 10 JJGE Cl[C@@H](c1cc(I)sn1)c1cc2c(cc1Br)OCC2 2056495267 BWLQCSFJZJMUOB-GFCCVEGCSA-N 456.530 4.773 50 10 JJGE CC[C@@H]1CN(C(=O)c2cc(Br)cc(Br)c2)C[C@@H]1CBr 2140788264 PORNJHDIISWBMG-KOLCDFICSA-N 454.000 4.705 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@](=O)(=NCC1(CBr)CCCCC1)C2 2163063927 RTPNMQVIVOTSDH-NFQMXDRXSA-N 463.482 4.973 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@@H](CBr)[C@H](C(F)(F)F)C1 2163358464 KPIXFPOKAKUADN-IYSWYEEDSA-N 499.972 4.919 50 10 JJGE COc1ccc(OC)c([C@@H](Br)c2cc(I)ccc2F)c1 2169666809 BOXYQWBFGSQMRC-HNNXBMFYSA-N 451.073 4.932 50 10 JJGE Cc1ccc(CN(C)S(=O)(=O)c2cc(CBr)sc2Br)s1 2179789081 LOCDAIHKAALSKO-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE O=S1(=O)CCC[C@@H]([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)C1 2201612586 BZQVTGFARQNLMP-LDWIPMOCSA-N 452.542 4.642 50 10 JJGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)Cc1cccc(Br)c1 2210632744 IDTQNZQZFDVBEW-CQSZACIVSA-N 461.219 4.565 50 10 JJGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)Cc1cccc(Br)c1 2213760796 LKGUJMWZDAIJHF-OAHLLOKOSA-N 475.246 4.955 50 10 JJGE C[C@H]1[C@H](Br)C[C@@H](C)CN1c1ncc(C(F)(F)F)cc1I 2235881164 AGNMCIOUEKQKDB-KHQFGBGNSA-N 463.079 4.703 50 10 JJGE C[C@@H](Br)CC(C)(C)CNC(=O)c1ccc(Cl)c(I)c1 2268348728 YBQYBYSZPUXOBU-SECBINFHSA-N 458.565 4.874 50 10 JJGE COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)c1C 2294607121 XTIHLLABORUPDU-UHFFFAOYSA-N 483.528 4.758 50 10 JJGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)cc1 2296543535 KWYBLXCPEXSSBH-UHFFFAOYSA-N 466.497 4.658 50 10 JJGE COc1ccccc1-n1c(C)cc(C=C(C#N)C(=O)OCc2nnc(-c3ccccc3)o2)c1C 2297486620 LNZVCFRUEDUPMG-UHFFFAOYSA-N 454.486 4.803 50 10 JJGE O=C(NN=Cc1ccccc1O)c1scc2c1NC(=O)C2(c1ccccc1)c1ccccc1 2297715854 OWUSRQHTLNAAMB-UHFFFAOYSA-N 453.523 4.504 50 10 JJGE FC1(F)[C@@H]2COC[C@@]21[C@H](Br)c1sc(Cl)cc1I 2300957381 NNYLHUMNRIDIIB-CGMLFGJQSA-N 455.489 4.724 50 10 JJGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc(F)c(Br)c1 2303545291 PFSPHMFMZWCDQE-OAHLLOKOSA-N 459.153 4.688 50 10 JJGE N#CC(=Cc1cn(Cc2ccccc2)c2ccc(Br)cc12)C(=O)NC[C@@H]1CCCO1 2313624624 YSEZQYZZFLEWOF-NRFANRHFSA-N 464.363 4.654 50 10 JJGE CCOc1cc(C=C2C(=O)N(CCOC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314618875 VWUNQMQGMIDBMF-UHFFFAOYSA-N 480.948 4.556 50 10 JJGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)cc1OC 2320511368 RDXVTSIJCYHIDE-UHFFFAOYSA-N 475.413 4.804 50 10 JJGE COc1ccc(CCN2C[C@H](C(O)=C(C#N)c3nc(-c4cccs4)cs3)CC2=O)cc1OC 2331326847 VPEVMUPAQPFCFT-MRXNPFEDSA-N 481.599 4.773 50 10 JJGE CC[C@]1(C)[C@H](Br)CCN1C(=O)c1cccc(Br)c1Br 2336767867 YNPHKEXHNXPHBO-BXUZGUMPSA-N 454.000 4.990 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CCC[C@@H](CBr)CC1 2340059147 SRXMHPHEAULZIC-SNVBAGLBSA-N 456.549 4.582 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2CC(Br)C[C@@H](C2)C1 2364149643 WBWVHHAOXBQDBG-NXEZZACHSA-N 466.011 4.847 50 10 JJGE FC(F)(F)[C@H]1CN(Cc2ccc(Cl)cc2I)C[C@@H]1CBr 2366739583 XNLZMBRKELCZGP-ONGXEEELSA-N 482.509 4.950 50 10 JJGE Cc1ccc2nc(N(/N=C/c3ccccc3)C(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2c1 9149204 ASEMWXSNIPOSID-JVWAILMASA-N 468.538 4.939 50 10 JJGE Cc1nc(COc2cccc(C(=O)NNC(=O)c3ccccc3OCc3ccc(F)cc3)c2)cs1 16232824 BQXIBHVQXWLKOQ-UHFFFAOYSA-N 491.544 4.823 50 10 JJGE COc1ccc(/C(C)=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1OC 32916799 GSBPKJWTEPCNNL-VEILYXNESA-N 474.586 4.734 50 10 JJGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)o2)C1=O 33560094 YAAKRAUMXBQDSN-HMAPJEAMSA-N 476.488 4.724 50 10 JJGE C[C@H](Cl)C(=O)N/N=C/c1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 39899597 GXSNAIYHBJHQKK-FAJRRQPCSA-N 452.139 4.790 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1 101333743 TXPDQISGKDNQRK-OEAKJJBVSA-N 452.514 4.549 50 10 JJGE O=S(=O)(NC[C@@H]1CCCC[C@H]1CBr)c1ccc(Br)cc1Cl 136740947 YZQZKSAXCFPFSE-QWRGUYRKSA-N 459.631 4.582 50 10 JJGE O=C1NCCOc2ccc([C@@H](Cl)c3cc(Br)c(Br)s3)cc21 228230725 XVVUHWKEHXGUKC-GFCCVEGCSA-N 451.567 4.724 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CCC[C@H]1CCCCl 236036507 PKDIPACMDFWFBI-LLVKDONJSA-N 456.549 4.677 50 10 JJGE CCCCOc1ccc(C(=O)NCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 254400857 PWPFYYIZVLUTTK-UHFFFAOYSA-N 495.583 4.598 50 10 JJGE C[C@@H]1CN(c2ncc(C(F)(F)F)cc2I)C[C@]1(C)CBr 686112744 UORZMWJPJULYHL-PELKAZGASA-N 463.079 4.562 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2C[C@H](Br)C[C@H]1C2 709822516 NTYBJGRQMXJQAP-GMOODISLSA-N 451.984 4.600 50 10 JJGE Cc1nn(C)c(COc2c(F)cc(Br)cc2CBr)c1Br 715829123 SAWNQIJIFZCNFQ-UHFFFAOYSA-N 470.962 4.867 50 10 JJGE N#Cc1cncc(COc2c(Br)cc(CBr)cc2Br)c1 721613685 YRZLLFONXRBQFB-UHFFFAOYSA-N 460.951 4.952 50 10 JJGE CC1(C)CN(C(=O)c2ccc(I)c(Br)c2)CC[C@H]1Cl 721614990 BWAZQGCQRRIFQQ-GFCCVEGCSA-N 456.549 4.533 50 10 JJGE CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)NNc2ccc(F)c(F)c2F)c(Cl)cc1Cl 728718237 BMPAFSKKBSHREN-SECBINFHSA-N 484.327 4.635 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)c(-c2ccccc2)n1 729381904 FFQUYPQBPJHXMV-GZTJUZNOSA-N 498.440 4.684 50 10 JJGE CN(Cc1cccc(Br)c1)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 914488819 GLGRZTSPBWKJAP-ZHZULCJRSA-N 474.362 4.792 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)c(-c2ccccc2)n1 918653043 BQZMRLDBQRCCCR-SILNSSARSA-N 486.963 4.559 50 10 JJGE CC(=O)N1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C)c3)c2C)CC12CCCCC2 1138035972 QZSYSBDHFCBYDS-UQQQWYQISA-N 458.606 4.703 50 10 JJGE C=CCC[C@@H](NC(=O)NNC(=O)c1cnn(-c2ccccc2)c1)c1ccc(C(F)(F)F)cc1 1230693137 CBTMMFJUQMVMHM-HXUWFJFHSA-N 457.456 4.543 50 10 JJGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)ccc1O 1865695461 CUXFJKIVETWNGP-SFHVURJKSA-N 451.324 4.646 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1ccc2c(c1)OCCO2 1865697886 DVXULAXIPSOZLL-KRWDZBQOSA-N 474.826 4.534 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1c[nH]c2ccccc12 1865699700 AJMXSMWWLLDJIQ-GOSISDBHSA-N 453.399 4.789 50 10 JJGE CC(C)[C@H](CCl)N(Cc1ccccc1)C(=O)c1ccc(I)c(O)c1 1915288694 MDWWOHIRPRRHOC-KRWDZBQOSA-N 457.739 4.903 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CN(C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 1991376891 SMOAYRMIQBAGAV-JKSUJKDBSA-N 463.710 4.516 50 10 JJGE CCN(C[C@](C)(CI)OCCOC1CCCCC1)C(=O)OC(C)(C)C 2027133390 ODHOTGBZISZGBD-IBGZPJMESA-N 469.404 4.803 50 10 JJGE O=C(NN=CC1=C(N2CCOCC2)C(=Cc2cccc([N+](=O)[O-])c2)CC1)C12CC3CC(CC(C3)C1)C2 2053505232 OJYAYSHTIMTBQC-UHFFFAOYSA-N 490.604 4.677 50 10 JJGE O=C(NN=CC1=C(N2CCOCC2)C(=Cc2ccccc2)CC1)c1ccccc1Br 2053623227 MOMZXAQNNHYUOV-UHFFFAOYSA-N 466.379 4.628 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CC[C@H](Br)[C@@H]2CC[C@H]21 2069994149 WTBKURWPNVCOLF-CNUIFLNQSA-N 458.013 4.661 50 10 JJGE C[C@@H](Br)[C@H](NC(=O)c1csc(Br)c1Br)C(F)(F)F 2074715216 DSGQLCGOZQIMHI-CVYQJGLWSA-N 473.934 4.717 50 10 JJGE C[C@H](Br)CCCc1cn(-c2cc(I)ccc2Cl)nn1 2132764166 PGOBVSHHWXKYIB-VIFPVBQESA-N 454.537 4.631 50 10 JJGE C[C@H]1C[C@@H](Br)CCN(c2ncc(C(F)(F)F)cc2I)C1 2159541330 LDWYVTJQLIGXSD-WPRPVWTQSA-N 463.079 4.705 50 10 JJGE CC[C@H](Br)[C@@H]1CCCCN1C(=O)c1ccc(F)cc1I 2170617774 XTJKPRLAPJGGLG-JSGCOSHPSA-N 454.121 4.599 50 10 JJGE O=S(=O)(c1cc(F)c(Cl)c(CBr)c1)N1CC[C@H](COCc2ccccc2)C1 2179862494 XEBXDAQHXSVQCI-HNNXBMFYSA-N 476.795 4.601 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CC2(CCC2)C[C@H]1CCl 2207265744 VQOHQDZXWGUJTR-NSHDSACASA-N 468.560 4.677 50 10 JJGE O=C(NC[C@]12CCC[C@]1(CCl)C2)c1ccc(I)c(Br)c1 2208031634 BQJXVXJTZYWNAW-HUUCEWRRSA-N 468.560 4.583 50 10 JJGE Cn1nc(Br)c([C@@H](Br)c2cc(Br)c(Br)s2)n1 2210979685 YWULJEFCMPFCBV-YFKPBYRVSA-N 494.832 4.648 50 10 JJGE Cc1ccc(C(=O)NC[C@H]2CC[C@H](CBr)CC2)cc1I 2232823240 JXOMRTOYDLKRSK-JOCQHMNTSA-N 450.158 4.531 50 10 JJGE C[C@H](CCCBr)CNCc1ccc(I)c(Br)c1 2306224045 MEVPOTGXLVZKOG-SNVBAGLBSA-N 475.006 4.955 50 10 JJGE N#CC(=Cc1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)C(=O)Nc1cccc(Cl)c1 2314533673 SYODRHHRFLHHMO-UHFFFAOYSA-N 460.852 4.825 50 10 JJGE C[C@@H](Cl)[C@@H](NCc1ccc(I)c(Br)c1)C(F)(F)F 2325211179 GLCQQDBBIMZYQE-LHLIQPBNSA-N 456.471 4.702 50 10 JJGE CC(C)(CI)CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 2326674589 CICKTSZMMOKCEJ-KRWDZBQOSA-N 464.432 4.807 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@]1(C)COCCO1 2339657689 AJJWGGCITCJKRD-STQMWFEESA-N 460.963 4.901 50 10 JJGE O=C(NCC[C@@H]1CCC[C@H]1Br)c1ccc(Cl)cc1I 2340064753 RLCWASPEFUCEAN-JOYOIKCWSA-N 456.549 4.628 50 10 JJGE CC(C)CN1C[C@H](Cc2ccc(I)c(Br)c2)[C@@H](Cl)C1 2349837041 PRTOXPZNHRJESO-JSGCOSHPSA-N 456.593 4.791 50 10 JJGE Cc1nc(Br)c([C@H](Br)c2cc(Br)c3c(c2)CCO3)n1C 2362482432 FLYOVKBZVIBABD-LLVKDONJSA-N 464.983 4.673 50 10 JJGE CCN(C[C@@](C)(CI)OCc1cc(F)c(OC)c(F)c1)C(=O)OC(C)(C)C 2363443790 BNPZBZAGOTUMBK-LJQANCHMSA-N 499.336 4.941 50 10 JJGE O=S1(=O)CCc2cc([C@@H](Cl)c3sc(Cl)cc3I)ccc21 2363889966 NAYMOOQEOMNHHB-GFCCVEGCSA-N 459.157 4.664 50 10 JJGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)CCC(=O)Nc1ccc(C)c(C)c1 10683455 GXPVQCUUFZWREH-HTAPYJJXSA-N 453.583 4.541 50 10 JJGE COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C(=O)CCl)cc1OC 97914577 LARUFUUSSOBPRF-XMMPIXPASA-N 476.976 4.601 50 10 JJGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1 206396285 RIMQBEURHUNUMC-QKKSTUIQSA-N 482.536 4.936 50 10 JJGE CCOc1ccc(C)cc1[C@H](C)NC(=O)/C(C#N)=C\NCCc1cccc(Br)c1 217187725 GHQJITFDYFZRAI-STZPCZCHSA-N 456.384 4.573 50 10 JJGE COc1cc(C=NNC(=O)CNc2cccc(C(F)(F)F)c2)ccc1OC(=O)c1ccc(F)cc1 254524504 QZXLCQBURAIVJT-UHFFFAOYSA-N 489.425 4.635 50 10 JJGE CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CCl)sc1Br 388416651 PNVLLFWNMPTDIE-HNNXBMFYSA-N 477.877 4.535 50 10 JJGE Cc1cn([C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O 504626969 DDLOCFSZSYGOPG-KURKYZTESA-N 470.759 4.957 50 10 JJGE COc1cc(C=NNC(=O)c2ccccc2)cc(I)c1OCc1ccccc1 1084046532 JXHLNDYVYVFVMG-UHFFFAOYSA-N 486.309 4.643 50 10 JJGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1OCc1cccc(F)c1)c1cc2ccccc2cc1O 1084121240 IKWITXANECDVSN-UHFFFAOYSA-N 459.433 4.936 50 10 JJGE N#C/C(C(=O)Nc1ccccc1)=C1\C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 1084278569 WCDSZHDRJMKNPL-LSDHQDQOSA-N 458.315 4.912 50 10 JJGE COC(=O)c1ccc2nc(NC(=O)CO/C([O])=C3/Sc4ccccc4[C@@H]3Cl)sc2c1 1085291739 PSCVNJANAFIBBJ-INIZCTEOSA-N 461.928 4.723 50 10 JJGE C#C[C@H](NC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 1564997746 OPTVDLBZCBYYDF-KRWDZBQOSA-N 454.741 4.511 50 10 JJGE C#C[C@H](NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)c1ccc(Cl)cc1F 1635191759 OSCAITAXTHTURH-ZLKNRPIFSA-N 457.896 4.654 50 10 JJGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772746108 PKHYBDYNPLYKSF-UHFFFAOYSA-N 461.949 4.910 50 10 JJGE N#CSc1ccc(NC(=O)Nc2ncccc2OCC(=O)OCCCc2ccccc2)cc1 1858855004 VGNOVRYEMACAND-UHFFFAOYSA-N 462.531 4.854 50 10 JJGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OC(C)C)c(OC)c1 1865697607 XXLHZBFNZJECMR-QHCPKHFHSA-N 474.561 4.983 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865710405 XGNMAUYZRFGICG-QHCPKHFHSA-N 497.486 4.872 50 10 JJGE CC[C@@H](CBr)COCc1ccc(I)c(Br)c1 1904372459 QTPKINJDQKDGQK-VIFPVBQESA-N 461.963 4.991 50 10 JJGE O=C(c1cc(I)sn1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1909914039 BHUQQXHYZZBXQP-CQSZACIVSA-N 491.192 4.564 50 10 JJGE O=C(N[C@@H](CBr)CC1CCCCC1)c1ccccc1I 1926775686 KISSBUDDQWAFSX-CYBMUJFWSA-N 450.158 4.755 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCc2cc(Cl)cc(Cl)c2)C1 1992071324 OLGSXCVJVGLTCH-ZIAGYGMSSA-N 472.150 4.933 50 10 JJGE O=C(CBr)c1cc(OC(F)(F)F)cc(C(F)(F)F)c1I 2055152025 XBAFAWBMHISMDE-UHFFFAOYSA-N 476.936 4.786 50 10 JJGE O=C(NC[C@H]1C[C@@H](Br)C1)c1cc(Cl)cc(Cl)c1I 2076195245 VXRUZXANGDZPAB-KNVOCYPGSA-N 462.940 4.501 50 10 JJGE Cc1ccnc(C2CC2)c1-n1nc(CBr)c(I)c1C(F)(F)F 2078933229 NXGHSRGGJDDMPW-UHFFFAOYSA-N 486.073 4.971 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H](Br)C2(CCC2)C1 2108694888 LWMPHWABUPYARA-LBPRGKRZSA-N 451.984 4.601 50 10 JJGE O=C(N[C@@H]1CC[C@@H]2C[C@]21CBr)c1cc(Br)cc(Br)c1 2132116203 OZDMZXMLAAZGEC-IUPBHXKESA-N 451.984 4.505 50 10 JJGE C[C@@H](Br)CCCc1cn(-c2cc(Br)cc(Br)c2)nn1 2132757674 HDTAYJUFJLMYCE-SECBINFHSA-N 451.988 4.898 50 10 JJGE O=C(c1cc(Br)ccc1I)N1C[C@H]2[C@@H](Cl)CCC[C@H]2C1 2150974101 UTIMAHGVLUTJCR-BIMULSAOSA-N 468.560 4.533 50 10 JJGE CS(=O)(=O)C1([C@@H](Br)c2cc(Br)c(Br)cc2F)CCC1 2225619108 FAGZPNYUYKQCML-NSHDSACASA-N 479.003 4.754 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](Br)[C@@H](OCc2c(F)cc(Br)cc2F)C1 2250054342 FDWMOQCGUQIXLL-FZMZJTMJSA-N 471.136 4.627 50 10 JJGE N#CC(=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1nn(CCO)c(N)c1C#N 2297326818 IHTBSCQEYNBFGP-UHFFFAOYSA-N 477.355 4.703 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1F 2314609936 ACJZZELQGDSKFD-UHFFFAOYSA-N 484.531 4.935 50 10 JJGE CCOc1cc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc([N+](=O)[O-])c1OCC 2323149690 GCYDCIVHWHPRSD-UHFFFAOYSA-N 450.495 4.516 50 10 JJGE Brc1cc(CN2CCC3(CC(Br)C3)C2)ccc1I 2325204629 QFRFNYPZUCJEQV-UHFFFAOYSA-N 485.001 4.803 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCCOC)cc2)sc2c1CC[C@H](C)C2 2331123755 QNLPDALMKKMLGS-INIZCTEOSA-N 468.575 4.620 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1[C@H]2CCC[C@H]2C[C@@H]1CBr 2354693997 KISJIHKLWDZIJV-PXWWUCIGSA-N 466.011 4.990 50 10 JJGE C[C@@H](Br)c1ccccc1NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364195817 TZXWXPRLDNPKET-MRXNPFEDSA-N 493.423 4.741 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1C[C@@H](CBr)C2(CCC2)C1 2365593110 SBMOKUHWUROCTO-SNVBAGLBSA-N 468.560 4.582 50 10 JJGE COc1ccc(OCc2ccc(/C=N/NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)o2)cc1 9695049 JKEKUGRKPZESDV-OGLMXYFKSA-N 469.497 4.883 50 10 JJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 13983237 VURGMUMWYJHRHT-OAHLLOKOSA-N 453.366 4.892 50 10 JJGE CCC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 14784140 OYNXIPBUFMOCPE-UHFFFAOYSA-N 491.426 4.865 50 10 JJGE COc1ccc(/C=N/NC(=O)/C(C#N)=C2\C[C@@H](c3ccccc3)c3ccccc32)c(OC)c1OC 15777568 SFPBMJWAFYLOFD-CZAXFEHDSA-N 467.525 4.675 50 10 JJGE N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@@H]1c1ccc([N+](=O)[O-])cc1 20238231 UURMHKYKBVDVMB-QGZVFWFLSA-N 471.336 4.577 50 10 JJGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCOCC2)cc1C 33552674 CNSYPQRMHYFCPI-NKFKGCMQSA-N 470.573 4.792 50 10 JJGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(C)c3C)ccc21 38650060 SAPPWCVISFMLDR-SANMLTNESA-N 456.498 4.515 50 10 JJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1OC 38680918 GFMBQSNROGPJQU-NDEPHWFRSA-N 498.535 4.771 50 10 JJGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)N4CCCc5ccccc54)c(C)c32)cc1 40813860 WHBWEMXBVQFXSE-SGWCAAJKSA-N 457.530 4.660 50 10 JJGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/Nc1ccc([N+](=O)[O-])cc1Br 101233557 ZQMUNBNEKOLKGS-CRRKTRLDSA-N 481.306 4.623 50 10 JJGE O=S(=O)(Nc1ccc(CCBr)cc1)c1cc(Br)ccc1Br 136860192 UMCANFKKUZWDBE-UHFFFAOYSA-N 498.034 4.950 50 10 JJGE COc1cc(/C=C(/C#N)c2ccccc2)ccc1OC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O 197819892 PYGSGJLDVTXAQJ-JTOKTMFQSA-N 480.520 4.986 50 10 JJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 254761617 SJKUXZXAVZKTBS-UHFFFAOYSA-N 499.479 4.505 50 10 JJGE C=CCc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)c(OCC)c1 254874480 ZPKPODTZSOPUHA-UHFFFAOYSA-N 458.514 4.562 50 10 JJGE N#CSc1ccc(NC(=O)Nc2cccc(C(=O)Nc3ccc(N4CCOCC4)cc3)c2)cc1 586732884 RRSVKHQVOCIEKQ-UHFFFAOYSA-N 473.558 4.993 50 10 JJGE CC(C)(C)OC(=O)NCCN1CCNC[C@H]1c1cccc(CCO[Si](C)(C)C(C)(C)C)c1 616636599 WWOWYOVTQDVKJU-QFIPXVFZSA-N 463.739 4.722 50 10 JJGE CCn1ccnc1CC(CBr)(CBr)c1ccc(Br)cc1 692510329 BHWFUWSNZVECRW-UHFFFAOYSA-N 465.027 4.936 50 10 JJGE O=[N+]([O-])c1ccc(-n2nc(-c3ccc(Br)cc3O)cc2CCl)c([N+](=O)[O-])c1 1614818972 YJWFORMIPAMESR-UHFFFAOYSA-N 453.636 4.563 50 10 JJGE Cc1c(C(=O)N2CCCC[C@H]2C)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772746781 GYGBVWPZVASEEE-SNVBAGLBSA-N 485.400 4.592 50 10 JJGE CCOC(=O)c1c(NC(=O)NN=Cc2cccc(Br)c2)sc2c1CC[C@@H](C)C2 1772753093 NCOVMKCJSDKLDL-GFCCVEGCSA-N 464.385 4.968 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@@H](CBr)C2(CCC2)C1 1914493301 QALXAAUWRFMYAH-SNVBAGLBSA-N 466.011 4.849 50 10 JJGE C[C@@H](Br)C[C@@H]1CCCN1c1ncc(I)cc1Br 2015757424 TWRAXYUWEVDXQS-SCZZXKLOSA-N 473.978 4.591 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H]2[C@H](Br)CC[C@H]2C1 2027643845 WFPQZEKYDHXIOH-NBEYISGCSA-N 458.013 4.519 50 10 JJGE O=C(c1csc(Br)c1Br)N1CCC[C@](F)(CBr)C1 2039797709 YNAKKSRRFOBWHB-NSHDSACASA-N 463.992 4.612 50 10 JJGE N#C[C@@H]1CN(c2cc(Br)cc(F)c2CBr)CCN1Cc1ccccc1 2051133149 MEWSXKZBLGUOHF-MRXNPFEDSA-N 467.180 4.697 50 10 JJGE Cn1cc(Br)c(C[C@H](CBr)Cc2cccc(Br)c2)n1 2087325469 OGXXQPLKKFLJGN-LLVKDONJSA-N 451.000 4.741 50 10 JJGE CN([C@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(Br)c(CCl)c1 2100206641 FNYCVSDWUULNJT-OALUTQOASA-N 458.805 4.556 50 10 JJGE CC1(C)C[C@H](CCl)CN1C(=O)c1cc(I)ccc1Br 2127831384 YKBLKNNDEKKRAK-SECBINFHSA-N 456.549 4.533 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1cc(Br)sc1Br 2139708169 JQXAYIGNRHGQKL-AKEJEFCPSA-N 472.040 4.955 50 10 JJGE CC1(C)CC[C@@H](CCl)N1C(=O)c1ccc(Br)cc1I 2142281501 RAHYIMJODDKZNQ-JTQLQIEISA-N 456.549 4.676 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CC2(CCC2)C[C@H]1CCl 2151491466 SQGSBGNZROJEIR-NSHDSACASA-N 468.560 4.677 50 10 JJGE Fc1cc2c(cc1I)nc(CCCl)n2[C@]12C[C@H]1CN(Cc1ccccc1)C2 2155866137 VJHLIILPGBFFCM-BTYIYWSLSA-N 495.767 4.792 50 10 JJGE CC[C@H]1CN(S(=O)(=O)c2cc(CBr)ccc2Cl)CCN1Cc1ccccc1 2179784904 FQXJYQGCNNWPDL-SFHVURJKSA-N 471.848 4.520 50 10 JJGE C[C@H](CBr)CC1CN(C(=O)c2cc(Br)c(Br)s2)C1 2222869885 ILQLQUKVWBSLEX-ZETCQYMHSA-N 460.029 4.766 50 10 JJGE C[C@@H](Br)CN(c1ncc(C(F)(F)F)cc1I)C1CCC1 2287959192 VQYQTPXJLOQROG-MRVPVSSYSA-N 463.079 4.847 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)NC1CCC(CBr)CC1 2295315007 GGHWADMPLKSOPS-UHFFFAOYSA-N 468.027 4.824 50 10 JJGE FC(F)(F)[C@H](CCl)CNCc1ccc(I)c(Br)c1 2325221936 PXDUNRUIKMVQPV-MRVPVSSYSA-N 456.471 4.561 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CCC(CCBr)CC1 2340061248 LUTITEGTKXDPHF-UHFFFAOYSA-N 456.549 4.582 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1[C@H]2CC[C@@H]1C[C@@H](CBr)C2 2365584242 MBQSYSXVDHEOTQ-WLLOZRIZSA-N 468.560 4.723 50 10 JJGE CC1(C)CC(CBr)(CN2CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)C1 2371149621 VGBKQCNYCXWQMC-UONOGXRCSA-N 457.375 4.965 50 10 JJGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c1 14041943 RFXKDGDIVFSBLX-UHFFFAOYSA-N 498.432 4.667 50 10 JJGE CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 14655096 WQEMIYUZZZWVPK-UHFFFAOYSA-N 469.335 4.502 50 10 JJGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc([C@H](C)CC)cc2Br)cc1 14832273 KYBHYBOBDPXABC-OAHLLOKOSA-N 490.398 4.541 50 10 JJGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)o1 38659293 RYULZYMHNZYEEA-QHCPKHFHSA-N 450.878 4.752 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40591529 QEJUIXVEXYEWAY-UHFFFAOYSA-N 498.670 4.754 50 10 JJGE CC[C@@H](C)NC(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816252 PNXSGFFVQMHAHJ-HQIQAQIDSA-N 466.365 4.659 50 10 JJGE Fc1cc2c(cc1I)nc(CCl)n2Cc1sncc1Br 722792693 VOMFYTSAEFWZPQ-UHFFFAOYSA-N 486.535 4.786 50 10 JJGE O=C(NNc1ccc(F)c(F)c1F)c1ccc2c(=O)n(Cc3ccccc3Cl)c(S)nc2c1 728716744 CTDQXAXYJAAWSK-UHFFFAOYSA-N 490.894 4.561 50 10 JJGE CN(Cc1ccc(F)c(F)c1)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 912769266 CXYWVLVODCYAOI-LDADJPATSA-N 465.891 4.961 50 10 JJGE CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cs1 920358825 BYSJRDUPCGSEIO-UHFFFAOYSA-N 477.424 4.519 50 10 JJGE COc1cc(C=NNC(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc(Cl)c1O 1082753869 UBKQUFZGEWPREJ-UHFFFAOYSA-N 458.301 4.724 50 10 JJGE Cc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1sc2c(c1C#N)CCCC2 1084008857 FXEQXEOXEDMYCA-HSZRJFAPSA-N 460.603 4.870 50 10 JJGE CC(C)Cc1ccc([C@H](C)C(=O)NN=C2C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc32)cc1 1084128837 WWVKXKROWMJRQR-IBGZPJMESA-N 484.556 4.964 50 10 JJGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743899 NIBYKYJFRDSXLG-UHFFFAOYSA-N 465.893 4.693 50 10 JJGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1 1772747609 JVFVHQKQRPZDJL-UHFFFAOYSA-N 496.907 4.881 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)c1OC 1865701258 QOJKSXQOPLWILU-HSZRJFAPSA-N 464.525 4.834 50 10 JJGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865707744 FAYYRRDADUYMCY-DEOSSOPVSA-N 452.514 4.823 50 10 JJGE COc1ccc(-c2ccc(C(=O)N/N=C\c3ccc(Br)cc3F)c(C)n2)cc1OC 1865762739 ZZOPUUQFYNOKRR-ROTLSHHCSA-N 472.314 4.740 50 10 JJGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 1873792847 PPDFSQPOJBKJMW-WMPMWDHYSA-N 459.974 4.918 50 10 JJGE O=C(N[C@@H](CSC[C@H]1C[C@H](Br)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1877478861 PCGBNASGCKLYOX-GXZWQRSESA-N 490.419 4.885 50 10 JJGE CC1(C)[C@@H](Br)C[C@H]1Oc1cc(Br)cc(I)c1 1901016741 QYGPEHJXINGTSY-WDEREUQCSA-N 459.947 4.995 50 10 JJGE CC1(C)C[C@@H](Br)CN(C(=O)c2cc(Br)sc2Br)C1 1923151347 PMEUVYZNKRQKCQ-SSDOTTSWSA-N 460.029 4.909 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@@H](Br)CC2(CC2)C1 1926001923 CGCXXFACEJQEHE-VIFPVBQESA-N 451.984 4.601 50 10 JJGE O=S1(=O)C[C@H]2C([C@@H](Br)c3c(Cl)sc(Br)c3Cl)[C@@H]2C1 2054221302 ZLAXYJMGNGEUPT-XAQAVTJOSA-N 455.020 4.544 50 10 JJGE CC1(C)[C@@H](CBr)OCCN1Cc1c(Br)cccc1Br 2103391752 FKKUQDOJVZWPJD-CYBMUJFWSA-N 456.016 4.586 50 10 JJGE BrCc1cc(Br)ccc1N1CC[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2129050178 CGBUEWDOMIMDSA-SFTDATJTSA-N 480.244 4.824 50 10 JJGE FC1(CNc2ncc(I)cc2Br)CCC(CCl)CC1 2133380484 UNWNMAMOKYOYQA-UHFFFAOYSA-N 461.544 4.998 50 10 JJGE C[C@H]1C[C@H](Cl)[C@H](C)CN1C(=O)c1ccc(Br)cc1I 2142279827 VPEBTCMRQLLPOH-PTRXPTGYSA-N 456.549 4.532 50 10 JJGE O=C(N[C@@H]1CCCC[C@H]1CCBr)c1cc(I)ccc1F 2169666186 SGACOMSKGJJAOX-IINYFYTJSA-N 454.121 4.504 50 10 JJGE Cn1ncc(CC(CBr)(CBr)c2cccc(F)c2)c1Br 2173257988 NNEPPHHYWVZCEI-UHFFFAOYSA-N 468.990 4.592 50 10 JJGE CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(CBr)cc2Cl)CO1 2179792014 ZRSPNINTYUHUDD-QGZVFWFLSA-N 472.832 4.993 50 10 JJGE CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(CBr)c2Cl)C1 2179830804 PBFBRNMKDQVUMR-HNNXBMFYSA-N 492.266 4.783 50 10 JJGE Cc1cc(C(=O)NC2(CCBr)CCCCC2)ccc1I 2207102923 LZACWJCDFXDGJK-UHFFFAOYSA-N 450.158 4.817 50 10 JJGE CCN([C@H]1CCC[C@@H]1Br)S(=O)(=O)c1cc(Br)ccc1Br 2232599646 HRNALIAXWANSSQ-JQWIXIFHSA-N 490.055 4.538 50 10 JJGE O=C(N[C@]1(CBr)C[C@H]2CC[C@H]1C2)c1cc(Br)sc1Br 2268626402 MJIYTHWSJGVVIF-UPFKWVMWSA-N 472.040 4.957 50 10 JJGE CCOc1ccc(-n2c(C)cc(C=C(C#N)C(=O)O[C@H](C(=O)N(C)C)c3ccccc3)c2C)cc1 2297492295 DQCCBXMOSDWDCD-SANMLTNESA-N 471.557 4.773 50 10 JJGE O=C(COc1cccc2ccccc12)NN=Cc1cc(O)c(Br)cc1Br 2297708117 GDCKUTNNKPYEIS-UHFFFAOYSA-N 478.140 4.600 50 10 JJGE C[C@@]1(CBr)C=CCN1Cc1ccc(I)c(Br)c1 2306232500 VQCPYPOCBODPKA-ZDUSSCGKSA-N 470.974 4.579 50 10 JJGE COC(=O)C(C#N)=Cc1cccc(OC(=O)C=Cc2ccc(OCc3ccccc3)c(OC)c2)c1 2314754545 VIGRIEVDZBKKBS-UHFFFAOYSA-N 469.493 4.973 50 10 JJGE CCc1ccc(OCCCC(=O)Oc2cccc(C=C(C#N)C(=O)OC)c2)c(Br)c1 2314770761 YROGZQWCSPQBAL-UHFFFAOYSA-N 472.335 4.856 50 10 JJGE Brc1cc(CN2[C@H]3CC[C@H]2CC(Br)C3)ccc1I 2325214163 XVKNSZCGZQWXDG-RYUDHWBXSA-N 485.001 4.944 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN=Cc1cccc(OCc2cccc(Cl)c2)c1 2328799159 LJPJKVYTJCPRGT-NRFANRHFSA-N 457.958 4.769 50 10 JJGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccccc4C3=O)n2)cc1Cl 2331377639 VXDPPZWZAMJYEA-UHFFFAOYSA-N 481.917 4.570 50 10 JJGE CC(C)[C@H](Cl)C(C)(C)NC(=O)c1ccc(I)c(Br)c1 2340527359 HFEHHAPEHJKCKO-LBPRGKRZSA-N 458.565 4.826 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@@H]2CCOc3ccc(F)cc32)CC1 2364438224 OQTILDPXZDMVJD-QGZVFWFLSA-N 491.341 4.871 50 10 JJGE O=C(NC[C@H](Br)c1ccccc1)c1ccc(Cl)cc1I 2365589518 WCZJZNUAXCRNGX-ZDUSSCGKSA-N 464.528 4.811 50 10 JJGE O=[N+]([O-])c1cc(Br)c(OC[C@]2(CBr)CC2(F)F)c(Br)c1 2379916392 RALQRTXQIZBNKZ-SNVBAGLBSA-N 479.897 4.919 50 10 JJGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O 16752348 PHAOZQKYZSTBPI-WQRHYEAKSA-N 473.312 4.799 50 10 JJGE CCOC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C)cc1 33729438 WCEMCIGAOMTJBB-AZZGVMCLSA-N 471.376 4.747 50 10 JJGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)ccc2OC)c1 38659907 JJHGPVZBQZESNM-VWLOTQADSA-N 472.497 4.540 50 10 JJGE Cc1ccc(Sc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40650316 DFRGCTHDYCUJQH-UHFFFAOYSA-N 450.307 4.908 50 10 JJGE Cc1c(F)cccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382689432 LTFUJVGRTYFLTP-AEFFLSMTSA-N 453.295 4.921 50 10 JJGE CN(CCn1c(CCCl)nc2cc(I)c(F)cc21)Cc1ccccc1 386803380 CCSUWYSIPBOAGJ-UHFFFAOYSA-N 471.745 4.693 50 10 JJGE ClCCc1nc2ccncc2n1-c1ccc(I)cc1Br 394227569 MOKFEFSAYJVIMM-UHFFFAOYSA-N 462.516 4.569 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CCC(F)(F)[C@@H](CBr)C1 403979554 PGVSQVGCXDFFNY-QMMMGPOBSA-N 475.953 4.704 50 10 JJGE C[C@H](CBr)[C@@H]1CCCCN1C(=O)c1ccc(I)c(Cl)c1 696712185 MFRSJVKRMGFBLY-YGRLFVJLSA-N 470.576 4.970 50 10 JJGE C[C@@H]1CCCN(C(=O)c2ccc(I)c(Cl)c2)[C@@H]1CCBr 697197766 BZXPUXRCRVNATK-QMTHXVAHSA-N 470.576 4.970 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@@H]2CC[C@H](Br)C[C@H]2C1 705439008 MSWLEWUUICNEGC-CIUDSAMLSA-N 472.040 4.909 50 10 JJGE Cc1ccc(Cl)cc1NC(=O)COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 761409125 BLNXWUNLJKOEAZ-XDHOZWIPSA-N 473.920 4.514 50 10 JJGE O=C(CNc1ccc2c(c1)OCO2)NN=Cc1ccc(OCc2cccc3ccccc23)cc1 1084057178 TYDNTQHRWKJXPN-UHFFFAOYSA-N 453.498 4.710 50 10 JJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c(Cl)cccc2Cl)Cc2ccccc2)cc1 1084317114 IDGSAGZHKXPZIS-UHFFFAOYSA-N 490.412 4.643 50 10 JJGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccccc1OCc1ccc(Br)cc1 1084450903 RLXKXRLFMIMIAZ-QFIPXVFZSA-N 467.363 4.992 50 10 JJGE C=CCn1c(SCC(=O)N(C)CC(Cl)Cl)nnc1-c1ccc(Cl)cc1Cl 1569988622 UTHIFSYAPIGHLQ-UHFFFAOYSA-N 454.210 4.792 50 10 JJGE CCOc1cc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)ccc1O 1614703422 GIBBVIAIQXRSLK-MSOLQXFVSA-N 481.330 4.578 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc2c(c1)OCCO2 1865697996 HPTYJCBPKHWPBM-GOSISDBHSA-N 488.853 4.593 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1OC 1865706784 FMQHIMYSBIPEOK-DEOSSOPVSA-N 464.525 4.834 50 10 JJGE COc1cccc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)c1OCc1ccccc1 1873795748 ZYMGGAVCMDPGLW-MTDXEUNCSA-N 469.582 4.809 50 10 JJGE C[C@H]1CC[C@](CBr)(NC(=O)c2ccc(Br)cc2Br)C1 1880938538 IZVQPHFKNRFWPI-XPTSAGLGSA-N 454.000 4.895 50 10 JJGE COc1cc(C)c([C@H](Br)c2cn(C)c(Br)n2)cc1Br 1901694900 ANXLMABQOHYOMX-LBPRGKRZSA-N 452.972 4.746 50 10 JJGE O=C(N[C@@H](CBr)CC1CCCCC1)c1ccc(I)cc1 1926780282 XKHXAANGIPGWJM-OAHLLOKOSA-N 450.158 4.755 50 10 JJGE FC(F)(F)Oc1c(Br)cc(CBr)cc1I 2054834444 JYODUYONJYBNST-UHFFFAOYSA-N 459.825 4.847 50 10 JJGE CC[C@H](C)[C@H](CBr)NC(=O)c1ccc(I)c(Br)c1 2081253451 KUKMEJHUHBNFQY-UFBFGSQYSA-N 488.989 4.593 50 10 JJGE CO[C@@]1(CBr)CCCN(Cc2cccc(Br)c2Br)C1 2092329149 SNBLXSPJAWXTDZ-CQSZACIVSA-N 456.016 4.588 50 10 JJGE COCCCN(Cc1ccccc1)S(=O)(=O)c1cc(CCl)cc(C)c1Br 2095871878 KFHAVRIDXKCMRM-UHFFFAOYSA-N 460.821 4.724 50 10 JJGE Cc1cc(Br)c(C)c([C@@H](Br)C2COCCOC2)c1Br 2138814509 BTRPAGUBXCXJPC-AWEZNQCLSA-N 457.000 4.927 50 10 JJGE CC1(C)CCC[C@]1(CCl)NC(=O)c1ccc(I)c(Br)c1 2150539893 DXBYVZLYUQTGRQ-OAHLLOKOSA-N 470.576 4.971 50 10 JJGE Cc1cnn(C)c1CC(CBr)(CBr)c1ccc(Br)cc1 2154337754 AJACFTXVZJHSGW-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE C[C@@]1(CBr)CC(F)(F)CN1C(=O)c1cc(Br)cc(Br)c1 2159048058 ANHWQMJWBTZZST-LBPRGKRZSA-N 475.953 4.846 50 10 JJGE N#Cc1ccc(COc2c(Br)cc(Br)cc2CBr)cn1 2160268675 FZQZOULQITXSOQ-UHFFFAOYSA-N 460.951 4.952 50 10 JJGE CN(C[C@@H](Br)C1CCCCC1)C(=O)c1cccc(I)c1 2167653923 RJLNPJQOINIPEA-OAHLLOKOSA-N 450.158 4.707 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2184574625 NKXOXYFYVVBCON-YHPBZONMSA-N 468.560 4.723 50 10 JJGE CCC[C@@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@@H]1CCl 2205698413 QUNFRGBZWIVMHO-MNOVXSKESA-N 470.576 4.781 50 10 JJGE Cc1cc(C(=O)N2CCCC[C@@H]2CCCBr)ccc1I 2207107834 SWCJSLWOKRJUGO-CQSZACIVSA-N 450.158 4.769 50 10 JJGE F[C@]1(CC(CBr)(CBr)c2ccc(Br)cc2)CCOC1 2229969763 GSNKXDBVVSPPFY-AWEZNQCLSA-N 458.991 4.995 50 10 JJGE C[C@@H](Br)C[C@@H](C)CNC(=O)Cc1cc(Br)cc(Br)c1 2277935995 JXXSQSRXFVUGCJ-NXEZZACHSA-N 456.016 4.680 50 10 JJGE COC(=O)COc1c(Cl)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1Br 2313566961 ABELNADRLHXVJY-UHFFFAOYSA-N 463.715 4.508 50 10 JJGE COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4ccc(C(C)=O)cc4)o3)C(C)=C(C#N)C2=O)cc1 2314620789 VFOAOYYPXDPNOQ-UHFFFAOYSA-N 480.520 4.993 50 10 JJGE Cn1cc(I)c(C[C@H](CBr)c2ccccc2Br)n1 2319151492 HCBZBIIGYGTXFH-SECBINFHSA-N 483.973 4.508 50 10 JJGE O=S1(=O)CC[C@@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2337092592 SLZPURDSUXKNOX-ANLVUFKYSA-N 499.421 4.875 50 10 JJGE COc1c(Br)cc(C)c([C@H](Br)C2[C@@H]3COC[C@@H]23)c1Br 2339653289 HXQGQZFNMDFCII-RWYTXXIDSA-N 454.984 4.857 50 10 JJGE CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)CCCCBr)[C@H](C(F)(F)F)C1 2362896922 GMUCCBAEDXUCPU-KGLIPLIRSA-N 459.347 4.636 50 10 JJGE O=C(N[C@H]1C[C@@H](CBr)C12CCC2)c1ccc(Cl)c(I)c1 2379722386 YFRARWCTFLLTQG-GWCFXTLKSA-N 468.560 4.628 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 14025489 LBTWTEUOXVORPV-UHFFFAOYSA-N 483.790 4.902 50 10 JJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)c(Br)c1 14832185 AUBOIDPRITXFMW-ZDUSSCGKSA-N 497.817 4.838 50 10 JJGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1OC 16688084 MPMGATBZCPZFRL-HXUWFJFHSA-N 481.350 4.569 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1 38650418 HSCATNWYRUKMHE-DEOSSOPVSA-N 462.889 4.551 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1 38685881 AEYBYFPMPRRTID-MHZLTWQESA-N 470.525 4.905 50 10 JJGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1cccc(Cl)c1 58990556 PIZHZFXPDJJPIZ-WPWMEQJKSA-N 476.005 4.948 50 10 JJGE N=C1/C(=C/c2cccc(OCCBr)c2)C(=O)N=C2SC(C3CCCCC3)=NN12 101054099 MAXXEHGIJRQHFO-SKQNHENMSA-N 461.385 4.660 50 10 JJGE O=C1OC(=O)[C@@H]2[C@H]1[C@H](c1ccccc1)N(c1ccc(Cl)cc1Cl)C21C(=O)c2ccccc2C1=O 105573932 XKCXHDNMLSAONS-ACRUOGEOSA-N 492.314 4.689 50 10 JJGE COc1ccc(-c2csc(-c3ccc(CNC(=O)[C@H](C)Br)cc3)n2)cc1OC 170511876 QVLANOOKAJIIJA-ZDUSSCGKSA-N 461.381 4.894 50 10 JJGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)Nc4ccc(S(=O)(=O)O)cc4)cc3)sc2c1 216949049 QCJRNQFQBQLDDK-VKAVYKQESA-N 490.566 4.977 50 10 JJGE Fc1cc(F)cc([C@@H](Br)c2cc(I)cc3c2OCC3)c1 380225097 KAGHZDSQDJONFJ-CQSZACIVSA-N 451.048 4.989 50 10 JJGE CC[C@H]1[C@H](CBr)CCN1C(=O)c1cc(Br)sc1Br 385681244 NZRMJSCMDYYFTI-CBAPKCEASA-N 460.029 4.909 50 10 JJGE CC[C@@H]1[C@H](CBr)CCN1C(=O)c1cc(Br)sc1Br 385681245 NZRMJSCMDYYFTI-IONNQARKSA-N 460.029 4.909 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CCC(CCCl)CC1 400946675 FTLIDWYVWVPPED-UHFFFAOYSA-N 456.549 4.535 50 10 JJGE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNc2ccc(F)c(F)c2F)c1 728716751 DKHWHCRQAZIBIK-UHFFFAOYSA-N 495.910 4.896 50 10 JJGE Cc1ccc(N(CC(=O)NN=Cc2ccc(C)c(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084068570 BTIDDOZXPOREGW-UHFFFAOYSA-N 463.603 4.574 50 10 JJGE O=C(CCc1ccccc1O)NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 1084652601 DWQOKBVYFVSDQN-UHFFFAOYSA-N 468.340 4.699 50 10 JJGE C=C(C)[C@@H](NC(=O)NNC(=O)COc1ccccc1-c1ccccc1)c1ccc(F)c(F)c1 1226646994 NFLVBSXHEZERRP-XMMPIXPASA-N 451.473 4.658 50 10 JJGE COc1ccc(C=NNC(=O)COc2ccc(Br)cc2C(C)C)cc1Br 1772755894 UIXLQUFSGMSJJB-UHFFFAOYSA-N 484.188 4.873 50 10 JJGE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)c1 1858685823 VFKSGUQRNJWGPG-OAHLLOKOSA-N 468.441 4.763 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1OC(C)C 1865695354 BVAQTQYNCORKEB-JOCHJYFZSA-N 450.926 4.848 50 10 JJGE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704675 BOCAFERENHTPKI-XMMPIXPASA-N 486.572 4.938 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1cccc([N+](=O)[O-])c1 1865706492 XWDXTRCPCQBQPK-JOCHJYFZSA-N 467.460 4.864 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1 1866936963 RIBYYPCGERMYFI-SMIHKQSGSA-N 475.545 4.574 50 10 JJGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCNC(=O)[C@H]2c2ccc(F)cc2)n1 1868387927 CRLUGFWXSGQERL-HSZRJFAPSA-N 462.554 4.562 50 10 JJGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 1873793119 XREKBNFWTVVDNT-WMPMWDHYSA-N 459.974 4.918 50 10 JJGE C[C@@H]1CC[C@@](CBr)(NC(=O)c2cc(Br)cc(Br)c2)C1 1880939277 NPFLHGYGWKSHRY-YMTOWFKASA-N 454.000 4.895 50 10 JJGE Brc1cc(I)cc(OCCCCI)c1 1888183823 VQOLBKQLUZHZPM-UHFFFAOYSA-N 480.909 4.648 50 10 JJGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cccc(F)c1I 1914232730 UTMSVSSOVFGXFK-LBPRGKRZSA-N 476.127 4.856 50 10 JJGE CC(C)[C@@H](Br)[C@H](C)NC(=O)c1cc(I)ccc1Br 2041306240 DISUFSZZHMUOAQ-QPUJVOFHSA-N 488.989 4.592 50 10 JJGE CCCN1CC[C@@H]([C@H](Br)c2cc(Br)sc2Br)S1(=O)=O 2089535756 OAONNAQDGXDIAR-WCBMZHEXSA-N 496.084 4.523 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NC[C@@H](CBr)C2CCC2)C1(C)C 2106787944 LOWIAEBGJPCDOU-MOZQLWJVSA-N 451.471 4.589 50 10 JJGE C[C@H](CCCCCI)NC(=O)c1cccc(F)c1I 2117886542 NUJSHZUAXWEYTM-SNVBAGLBSA-N 489.110 4.544 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N(C)CC(C)(C)CBr)cc1Br 2150966880 CCUMKDMIWZYCHJ-UHFFFAOYSA-N 492.071 4.562 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CN(CC2(CBr)CCCC2)CC[C@H]1C(F)(F)F 2163059773 WHQSIMKAYRDWSP-HUUCEWRRSA-N 457.375 4.967 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@@](=O)(=NCC1(CBr)CCCCC1)C2 2163063926 RTPNMQVIVOTSDH-HRFSGMKKSA-N 463.482 4.973 50 10 JJGE O=C(NC[C@H]1CCCC[C@H](Br)C1)c1ccc(F)cc1I 2163746726 VHQKUPSNSGHXDY-QWRGUYRKSA-N 454.121 4.504 50 10 JJGE CN(C[C@@H](Cl)C1CCCC1)C(=O)c1cc(I)ccc1Br 2167648409 VQGBOGDYRXPKEB-CQSZACIVSA-N 470.576 4.923 50 10 JJGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@H]1C 2179816893 UUSQGPLTFWCMHF-ARFHVFGLSA-N 471.486 4.623 50 10 JJGE CN([C@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CCBr)s1 2179820133 USFBOXMRWBRAPI-PKOBYXMFSA-N 472.470 4.690 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2184578366 QEQHTTPFFYEIQU-KFKUMKOWSA-N 466.011 4.990 50 10 JJGE Brc1ccc([C@H](CI)O[C@H]2CCN3CCC[C@H]3C2)cc1 2199475295 NWGFEUSTPIZEFI-JYJNAYRXSA-N 450.158 4.569 50 10 JJGE Cc1cc(C(=O)NC[C@@H]2CCCC[C@@H]2CBr)ccc1I 2207108606 XMOVGIGZKPJICX-KGLIPLIRSA-N 450.158 4.531 50 10 JJGE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1CCCN(CCCCI)C1 2248251379 YBOFWGDSARIMDB-DLBZAZTESA-N 450.405 4.703 50 10 JJGE C[C@@]1(CNC(=O)c2cc(Br)sc2Br)CCC[C@@H]1Br 2258808694 FQTHOPNPUGABKY-UFBFGSQYSA-N 460.029 4.957 50 10 JJGE CN(C(=O)c1ccc(Cl)c(I)c1)[C@H]1CCCC[C@H]1Br 2268345581 GSKSJTIUUDMOML-MFKMUULPSA-N 456.549 4.723 50 10 JJGE CCOc1cccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)c1 2294193332 FWCAGSLOEZSLJN-UHFFFAOYSA-N 472.497 4.917 50 10 JJGE C[C@]1(CCBr)CCN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295311218 HVZDBSCHBLFKPF-HNNXBMFYSA-N 468.027 4.778 50 10 JJGE COC(=O)c1ccccc1NC(=O)C(C#N)=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 2295459669 LRALKWAUBZOFGS-UHFFFAOYSA-N 488.412 4.628 50 10 JJGE C[C@@H](Cl)COCc1cn(-c2c(Br)cc(Br)cc2Br)nn1 2295829569 YIDQNPDBHLLSBW-SSDOTTSWSA-N 488.405 4.699 50 10 JJGE Cc1cccc(C(=O)N[C@H](CCCl)COCc2ccccc2)c1I 2303706650 FVLWZKUOUXPPON-MRXNPFEDSA-N 457.739 4.544 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CC[C@@H](Br)[C@H]2CC[C@H]21 2310810719 WTBKURWPNVCOLF-FTLITQJKSA-N 458.013 4.661 50 10 JJGE CCCC1=NN(c2ccccc2)C(=O)C1=C(C)NNC(=O)C(c1ccccc1)c1ccccc1 2313681871 PJXODYPIYVTCCB-UHFFFAOYSA-N 452.558 4.916 50 10 JJGE COc1cc(C(=O)NCC(O)=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)cc(OC)c1OC 2331293975 ZDBGUIPKBGZXBB-UHFFFAOYSA-N 485.949 4.712 50 10 JJGE Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1 33930006 UFWTUHYWLFMFQS-LGMDPLHJSA-N 472.413 4.576 50 10 JJGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccccc3F)ccc21 38650513 GBRUOEXUXJISPY-PUAOIOHZSA-N 474.488 4.815 50 10 JJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1 38650614 YHVIXGXKKRNQQX-SANMLTNESA-N 474.488 4.817 50 10 JJGE O=C(NCCCCCCBr)c1cc(Br)ccc1I 232472505 KNLAEMWYQXMFOU-UHFFFAOYSA-N 488.989 4.739 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccccc3)n2-c2ccccc2)cc1 254488676 OSTHHTYVTAXEGN-UHFFFAOYSA-N 457.559 4.575 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc(C(C)C)cc2)ccc1OC(=O)c1ccc(C)cc1 254736529 CXCODHANEVPRAC-UHFFFAOYSA-N 460.530 4.875 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3)cc2OCC)cc1 254875895 FHPHIZFGOKJZDN-UHFFFAOYSA-N 476.529 4.622 50 10 JJGE C[C@@]1(CBr)CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 381618600 QWZRQZTXLGQPQI-LBPRGKRZSA-N 466.022 4.552 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@@H](c2ccccc2I)C1 382681629 ANCVKLMVURODSM-YPMHNXCESA-N 466.157 4.637 50 10 JJGE COc1cc([C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)ccc1Cl 382711741 ZIKZNEQEUADFMA-CHWSQXEVSA-N 451.732 4.734 50 10 JJGE ClCc1nc2cc(I)ccc2n1C[C@@H]1CCN1Cc1ccccc1 716224700 BBDOBRNEHJMJPN-INIZCTEOSA-N 451.739 4.654 50 10 JJGE CCN(CC)c1ccc(CN(C)C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1 917953696 CPLMNJPNKIXSFX-MOHJPFBDSA-N 466.589 4.876 50 10 JJGE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706460 XICFICUQSKDYQA-IBGZPJMESA-N 456.289 4.673 50 10 JJGE Cc1nnc([C@@H](CC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c2ccccc2)o1 1867025841 ADKWCEVIPSBXMM-UKILVPOCSA-N 497.580 4.969 50 10 JJGE CCC[C@@H](NC(=O)Cc1ccc(C)c(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867230446 KNDXBHFVBLRNLQ-LJQANCHMSA-N 460.397 4.797 50 10 JJGE C[C@@H]1CC[C@](CBr)(NC(=O)c2ccc(Br)cc2Br)C1 1880938537 IZVQPHFKNRFWPI-OTYXRUKQSA-N 454.000 4.895 50 10 JJGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@H]1C[C@@H](Br)C1 1888778764 KVQFNJOMPZWUMW-MFEFFIJZSA-N 485.422 4.936 50 10 JJGE Cc1ccnc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)c1Br 1927092157 RHWCRTMHDVECQR-INIZCTEOSA-N 452.190 4.968 50 10 JJGE CC[C@@H](C)[C@H](Br)CNC(=O)c1ccc(I)c(Br)c1 2029970734 JJDBJOIOTSDDAT-LDYMZIIASA-N 488.989 4.593 50 10 JJGE CCn1cc(Br)c([C@@H](Br)c2cc(Br)c(OC)s2)n1 2060856723 VHWQIZWPHHILRU-VIFPVBQESA-N 459.001 4.982 50 10 JJGE Fc1nc(-n2nc(CCl)c(I)c2C(F)(F)F)ccc1C(F)(F)F 2078889886 BXYFWUADLVXYSZ-UHFFFAOYSA-N 473.517 4.787 50 10 JJGE CO[C@](C)(COCc1ccccc1)Cn1c(CCCl)nc2cncc(Br)c21 2151785098 VKQGTDNVLINURQ-FQEVSTJZSA-N 452.780 4.597 50 10 JJGE Cc1nc2c(cc1Br)nc(CCl)n2-c1ccc(I)cc1 2153123751 NOSKRQXLSQYINU-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@H](Br)C2(CCCC2)C1 2174377790 XPZYHKYMPADMDD-LBPRGKRZSA-N 466.011 4.991 50 10 JJGE O=C(N[C@@H](CBr)CC1CCOCC1)c1csc(Br)c1Br 2195493791 MFLZDVCVTWNGAA-SECBINFHSA-N 490.055 4.583 50 10 JJGE CS(=O)(=O)C1CC([C@@H](Br)c2cc(Br)c(Br)cc2F)C1 2269879650 LUSMOPIZHXWWDZ-LBVLNNNDSA-N 479.003 4.610 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1CCC[C@@H](Br)C1 2277935429 GOIFKPBJVNKGJI-MFKMUULPSA-N 454.000 4.576 50 10 JJGE N#CC(=Cc1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)N1CCOCC1 2294171927 KDZJXUBCPNFYDY-UHFFFAOYSA-N 477.358 4.947 50 10 JJGE N#CC(C(=O)NCc1ccccc1)=C1NC(=NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 2296532770 YUFMDELMNIMHNX-UHFFFAOYSA-N 475.335 4.735 50 10 JJGE C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 2328794973 QVRSOEZIURPBTM-AWEZNQCLSA-N 466.365 4.936 50 10 JJGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1cccc(Br)c1Br 2330904168 WDJAKVHOIUDLHS-LDDIKCJXSA-N 451.984 4.503 50 10 JJGE CC[C@@H]1[C@H](CBr)CCN1C(=O)c1ccc(Cl)cc1I 2340058670 PTMUMAPIMQSKPU-TVQRCGJNSA-N 456.549 4.580 50 10 JJGE O=C(c1cccc(N2C(=O)CCC2=O)c1)N(/N=C/c1cccs1)c1nc2ccc(F)cc2s1 9148896 CQUBDPZSGNHGKQ-DHRITJCHSA-N 478.530 4.831 50 10 JJGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccc(F)cc1)c1nc3cc(Cl)c(Cl)cc3nc12 33364185 WKNXBXQAAJGIHY-RPWUZVMVSA-N 487.362 4.866 50 10 JJGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)c1 38684922 YSETVENEJIYNLJ-CPJLOUKISA-N 474.488 4.815 50 10 JJGE Cc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1cccc(Br)c1 58890483 XPSYHNZCZWAOTF-OOEUXUOGSA-N 454.368 4.821 50 10 JJGE COc1ccc([C@@H](C(=O)NC2CCCCC2)N(CCc2ccc(C)cc2)C(=O)CCl)cc1 97914332 MDZFMBJCACGTPF-VWLOTQADSA-N 457.014 4.804 50 10 JJGE COc1ccc(OC)c([C@H](C(=O)NC2CCC(C)CC2)N(CCc2ccccc2)C(=O)CCl)c1 97914769 RGAUYQIWGYKBLB-YBFPRZSNSA-N 487.040 4.750 50 10 JJGE C[C@@H](NC(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C)c1ccc(Cl)c(Cl)c1 108786202 IEEGQSSFZTXQLB-CQSZACIVSA-N 457.361 4.841 50 10 JJGE C[C@H](NC(=O)/C(C#N)=C\Nc1ccc(I)cc1)c1ccc2c(c1)CCCC2 217203794 QNFARCBURQKQMK-NOMGLIDZSA-N 471.342 4.867 50 10 JJGE CCCS(=O)(=O)CCC(CBr)(CBr)c1ccccc1Br 233257888 OEMJNEIXAXZPQW-UHFFFAOYSA-N 491.083 4.692 50 10 JJGE O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1cccc2ccccc12 252609328 HRTVHALJQGMNAL-UHFFFAOYSA-N 484.021 4.967 50 10 JJGE COc1ccc(OC)c(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C/C(C)=C/c2ccccc2)c1 254568165 YMTRVZUKTUDCSG-KDMISMTCSA-N 469.541 4.680 50 10 JJGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2cccc(C)c2)cc1 254766726 QEPDTOZUUGXNAB-UHFFFAOYSA-N 465.594 4.921 50 10 JJGE CC(=NNC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1ccc([N+](=O)[O-])cc1 254799455 XHQNIFHRZMAWPZ-UHFFFAOYSA-N 473.605 4.680 50 10 JJGE COc1cc(C(C)=NNC(=O)c2cc(-c3cccc(OCc4ccccc4)c3)[nH]n2)ccc1O 254827081 HRKNKUIPXCYDTN-UHFFFAOYSA-N 456.502 4.524 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc3ccccc3c2)ccc1OC(=O)c1ccccc1 254853161 DBBLMVPEYJCQAB-UHFFFAOYSA-N 454.482 4.597 50 10 JJGE CCOC1CC(C[C@H](Br)c2cc(I)cc3c2OCC3)C1 380287765 QOQQWWLEDKGKLK-KHXKVGHRSA-N 451.142 4.867 50 10 JJGE COc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1C 382729260 SWCIOBLJGPBGHV-MOPGFXCFSA-N 465.331 4.791 50 10 JJGE CN(C[C@@H]1CCC[C@@H]1Br)C(=O)c1cc(Br)c(Br)s1 689315589 TWMHDTIVRMVDEO-YUMQZZPRSA-N 460.029 4.909 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C2CCC1(CBr)CC2 723027054 JTBCEPOJIDXZIC-UHFFFAOYSA-N 458.013 4.805 50 10 JJGE COC(=O)c1ccc(F)c(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1 844825150 HPLQOYKTYMMVSX-GZTJUZNOSA-N 477.883 4.589 50 10 JJGE COc1cc(C=NNC(=O)CC#N)cc(Br)c1OCc1cccc2ccccc12 1084414318 FZZLTKRZBGZNOA-UHFFFAOYSA-N 452.308 4.554 50 10 JJGE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(Br)cc1Cl 1556866307 CDVHXSIJBUYFOQ-CYBMUJFWSA-N 453.164 4.582 50 10 JJGE CCCCCN1C(=O)C(=NNC(=O)COc2ccccc2Cl)c2cc(Br)ccc21 1772752419 JJJSASWBJVTMMB-UHFFFAOYSA-N 478.774 4.539 50 10 JJGE COc1cc(C(=O)NNc2ccc(OCCOc3ccc(Cl)cc3)cc2)cc(OC)c1OC 1858080723 PMFKHEZRSFCOLK-UHFFFAOYSA-N 472.925 4.581 50 10 JJGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689647 VGZVFNBHRSJHHD-LJQANCHMSA-N 481.350 4.520 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865698407 SNNYIYHXKWQTGT-OAQYLSRUSA-N 493.361 4.577 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)c(OC)c1 1865708075 NKPLUYIXESJKMS-XMMPIXPASA-N 482.515 4.973 50 10 JJGE CCc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1 1865759175 LZGQISRRMKFIHR-UHFFFAOYSA-N 458.345 4.766 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OC)c1OCc1cccc(C)c1 1873794542 NSHYUSVKPSQWMD-RTMZZENCSA-N 483.609 4.972 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1c(O)ccc2cc(Br)ccc12 1873794716 WUHJICZYTHKHLW-ORKFEICHSA-N 478.387 4.697 50 10 JJGE CN(C[C@@H](Cl)COCc1ccccc1)S(=O)(=O)c1c(Cl)cccc1Br 1916332776 KPDCQHSODYTEEX-CQSZACIVSA-N 467.212 4.547 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CC(F)(F)C[C@H]1CBr 2041123233 ABPDHEIXWYDLSL-YFKPBYRVSA-N 467.955 4.518 50 10 JJGE O=C(c1csc(Br)c1Br)N1CC(F)(F)C[C@H]1CBr 2041126071 AFMHCOQWQANYKA-YFKPBYRVSA-N 467.955 4.518 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNc1cc(Br)ccc1[N+](=O)[O-] 2061267546 FPTJURKFSPVHRV-UHFFFAOYSA-N 452.396 4.675 50 10 JJGE COc1cc(Br)c(C)cc1[C@H](Br)c1nn(C)cc1Br 2089723690 VXAJVUYPPXMCON-LBPRGKRZSA-N 452.972 4.746 50 10 JJGE CCn1cc([C@H](Br)c2cc(Br)c3c(c2)CCO3)nc1Br 2146627759 RMNKZKYTSIKVNS-GFCCVEGCSA-N 464.983 4.847 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@H]2C[C@@H](Br)CC[C@H]2C1 2150493658 MGEOHIFBDJWOOB-AXFHLTTASA-N 466.011 4.847 50 10 JJGE C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)CC[C@H]1CCBr 2172480487 WTNXVTOEXOHRRK-DTWKUNHWSA-N 465.660 4.596 50 10 JJGE CN(C(=O)c1ccc(I)c(Cl)c1)[C@@H](CCBr)C(F)(F)F 2178515889 PXIQXTYOUYTDGB-JTQLQIEISA-N 484.481 4.733 50 10 JJGE CC[C@@H]1CN(S(=O)(=O)c2ccc(CBr)c(Cl)c2)CCN1Cc1ccccc1 2179782051 ZXNCXRDOSIBEQZ-GOSISDBHSA-N 471.848 4.520 50 10 JJGE O=C(NC[C@@]1(CBr)C[C@H]1C(F)(F)F)c1csc(Br)c1Br 2192586550 KUROSBOUCJSFIP-LDWIPMOCSA-N 499.972 4.966 50 10 JJGE O=C(c1ccc(Br)cc1I)N1[C@H]2CCC[C@@H](Cl)[C@H]1CC2 2207265292 PFPKVKMVPFRXLW-ZKYQVNSYSA-N 468.560 4.818 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CI)O[C@@H]1CCCC[C@H]1C(F)(F)F 2217091929 SOERIMYHQKARKY-JMSVASOKSA-N 465.294 4.843 50 10 JJGE CCN(C(=O)c1cc(Br)cc(Br)c1)[C@H]1CCC[C@H]1Br 2224419904 JIUDDIQISDXWPP-OLZOCXBDSA-N 454.000 4.990 50 10 JJGE Cc1ccc(C(=O)NC[C@@H](CBr)CC(C)(C)C)cc1I 2232829512 XBCODHWLDBSHSG-GFCCVEGCSA-N 452.174 4.777 50 10 JJGE O=S1(=O)CCCC[C@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288348724 IICTVEQKGQCBPM-WCBMZHEXSA-N 496.993 4.893 50 10 JJGE Cc1cc(C=C(C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 2313540718 QFKQHFZUIHFOEX-UHFFFAOYSA-N 475.574 4.887 50 10 JJGE NNC(=O)C=Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 2314019617 SGNFVMWTMIWWGL-UHFFFAOYSA-N 450.547 4.991 50 10 JJGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)NCc2ccco2)cc1C 2314592858 CVXGLMSUSYTFMT-XMMPIXPASA-N 471.582 4.948 50 10 JJGE C[C@H]1c2ccc(CNC(=O)C(C#N)=Cc3ccc(Br)cc3)n2CCN1C(=O)OC(C)(C)C 2329658664 IHLVIUSPRFOVRO-INIZCTEOSA-N 499.409 4.786 50 10 JJGE C[C@@H]1c2ccc(CNC(=O)C(C#N)=Cc3ccc(Br)cc3)n2CCN1C(=O)OC(C)(C)C 2329658667 IHLVIUSPRFOVRO-MRXNPFEDSA-N 499.409 4.786 50 10 JJGE Clc1ccc(C[C@H](CBr)Cc2ncc(I)cn2)cc1 2353309501 MHWMBCUPKXDKEU-NSHDSACASA-N 451.533 4.531 50 10 JJGE C[C@@H]1CCCN(c2ccc(/C=C(/C#N)c3nn(-c4ccccc4)c(N)c3C#N)cc2[N+](=O)[O-])C1 6177286 MFSRCSDTQYRLEL-UEXNTNOUSA-N 453.506 4.535 50 10 JJGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 14030589 FNXJKGDGSJYAJN-UHFFFAOYSA-N 498.432 4.523 50 10 JJGE CCCOc1ccc(C(=O)NNC(=O)COc2cc(C)ccc2C(C)C)cc1Br 14647347 HFZQNGYXBCPWFK-UHFFFAOYSA-N 463.372 4.510 50 10 JJGE O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1cc(Cl)cc(Cl)c1O 59462376 JCFINTWSXONYQQ-KTZMUZOWSA-N 465.215 4.578 50 10 JJGE CCc1cccc(CC)c1NC(=S)N[C@@H](NC(=O)C(Cl)Cl)C(Cl)(Cl)Cl 101118027 OASBEGXUBIBWAJ-CYBMUJFWSA-N 465.661 4.714 50 10 JJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C1=O 101335898 UAGBAHIWHZWYCM-KOEQRZSOSA-N 480.568 4.867 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)c1OC 205648587 DTQIATICIVTHID-RDQNCKLBSA-N 468.509 4.849 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccccc1 254376542 ZXUIFHPPIQDMGI-UHFFFAOYSA-N 460.530 4.741 50 10 JJGE C=CCOc1ccc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1Br 254383474 YIMCQTHBZCTJPA-UHFFFAOYSA-N 490.357 4.632 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N=CN3CCCC3)Oc3c2c(C)nn3-c2ccccc2)cc1OC 254522493 NFQKPLYQBUHHFO-RUZDIDTESA-N 469.545 4.582 50 10 JJGE CCOc1cc(C=NNC(=O)CNc2ccc(C)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254751551 APKBLTOHSUJXAZ-UHFFFAOYSA-N 493.476 4.565 50 10 JJGE CC(C)c1ccc(OCCNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1 918588453 AIJDREMJBCUSIW-QJOMJCCJSA-N 453.546 4.689 50 10 JJGE C=CCn1c(SCC(=O)N/N=C2\C[C@H]3CC[C@@]2(C)C3(C)C)nnc1-c1ccccc1OC 1086828961 GRIHOPLUPJGIDK-FQCFZQQLSA-N 453.612 4.550 50 10 JJGE C/C(=C/C(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1)c1ccccc1Cl 1442533739 OOYOBRFRXKPMFL-IBOHTEHESA-N 459.977 4.518 50 10 JJGE C#CC[C@]1(C(=O)N2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)CCCN1C(=O)OC(C)(C)C 1460764289 PBICBVHGBQULFG-YADARESESA-N 450.696 4.792 50 10 JJGE C/C(=C\c1cccc(Cl)c1)C(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 1464569383 ZDCGXBHTJSGIBY-KOFSXRQESA-N 459.977 4.518 50 10 JJGE CC(=O)N1CC[C@@H](NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)c2ccccc21 1525998967 VTDYGYVGLYAAQM-KQQLFIIESA-N 456.521 4.754 50 10 JJGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772744195 RWWKFANGPZOXHR-UHFFFAOYSA-N 479.920 4.735 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)c1OC 1865700749 CRSJZAQOBSDCMN-QGZVFWFLSA-N 490.869 4.839 50 10 JJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865708221 QYBCRSKSNYRVPB-HXUWFJFHSA-N 471.344 4.977 50 10 JJGE N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1ccc(I)cc1F 1866130593 CCJQLZHVUFVNEF-IZZDOVSWSA-N 471.067 4.738 50 10 JJGE O=C(N[C@@H](CSC[C@H]1C[C@@H](Br)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1877476357 PCGBNASGCKLYOX-ZSDSOXJFSA-N 490.419 4.885 50 10 JJGE BrCc1cc(Br)c(OC[C@H]2C[C@@]23CCOC3)c(Br)c1 1894788579 JHKYJYLAHKZFMZ-QMTHXVAHSA-N 454.984 4.912 50 10 JJGE C[C@@H](CCCBr)CNc1ncc(I)cc1Br 1988530797 KUWBWWOFMJECHC-QMMMGPOBSA-N 461.967 4.672 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H]2C[C@H]1CC[C@H]2Br 2028278696 XXPMRIQGGRYVQP-ZXFLCMHBSA-N 458.013 4.661 50 10 JJGE O=C1c2ccccc2C(=O)N1CCc1nccn1-c1c(CCl)ccc(Br)c1Cl 2036849687 RIVDZOCLHDZRLJ-UHFFFAOYSA-N 479.161 4.866 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CCC[C@@](F)(CBr)C1 2039794902 NVJJIODHPZBELF-LLVKDONJSA-N 463.992 4.612 50 10 JJGE CC1(C)CN(C(=O)c2cccc(Br)c2Br)CC[C@H]1Br 2092339937 KKOKWEJGRYJILP-LLVKDONJSA-N 454.000 4.847 50 10 JJGE CO[C@@]1(CBr)CCCN(Cc2c(Br)cccc2Br)C1 2094088014 GPARAFLXUONFNW-CQSZACIVSA-N 456.016 4.588 50 10 JJGE COc1cc(Br)c([C@@H](Cl)c2cc(I)sn2)cc1OC 2120030347 BVMGPZGFHWPGOQ-GFCCVEGCSA-N 474.545 4.856 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1scc(Br)c1Br 2139715049 QJBFVQKWMBJWMQ-QHOPCYEYSA-N 472.040 4.955 50 10 JJGE CN(C(=O)c1cc(I)ccc1F)[C@H]1CCCCC[C@@H]1Br 2172536843 NXVFEXWKFGHVGO-JSGCOSHPSA-N 454.121 4.599 50 10 JJGE O=C1CCCc2cc([C@H](Br)c3cc(I)sn3)ccc2N1 2176538069 KURUAJKMOWFUHO-AWEZNQCLSA-N 463.138 4.507 50 10 JJGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)C2CCCC2)c(CCBr)c1 2179834522 JRHYVKIKUMMNNC-UHFFFAOYSA-N 452.414 4.766 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(CCCCCI)C1 2214705374 RCGHJVQRZXLLFW-IAGOWNOFSA-N 450.405 4.703 50 10 JJGE CC[C@@H](C)[C@H](CI)NC(=O)c1ccc(Cl)c(I)c1 2256391972 SANHCEQQQHOPJC-PELKAZGASA-N 491.538 4.524 50 10 JJGE CC(C)CN(C[C@H](C)Br)c1ncc(C(F)(F)F)cc1I 2287954924 JRXKXRWFXMNEAQ-VIFPVBQESA-N 465.095 4.951 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)sc(C)c1C 2296818072 FTOFQLKWELNSCU-UHFFFAOYSA-N 464.503 4.786 50 10 JJGE COc1ccc(OC)c(C=CC(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)c1 2321178212 AKQHHOMFWXPJJU-UHFFFAOYSA-N 486.355 4.855 50 10 JJGE C[C@@H](Cl)[C@H](NCc1ccc(I)c(Br)c1)C(F)(F)F 2325211178 GLCQQDBBIMZYQE-LDWIPMOCSA-N 456.471 4.702 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)c(OC)c1 2331386877 WULOVUQQBWFKNY-UHFFFAOYSA-N 454.420 4.594 50 10 JJGE CCCO[C@@H]1[C@@H](Br)C[C@H]1OCc1cc(I)ccc1Cl 2352249794 YRMGSQUNCISMTH-IACUBPJLSA-N 459.549 4.792 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@H]2C[C@@H](Br)CC[C@H]21 2354028100 BLTONQWRXOLXBV-OUJBWJOFSA-N 466.011 4.990 50 10 JJGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)CCC(=O)Nc1ccc(C)cc1C 10683057 KALCTRXJGUAPSR-GCJKJVERSA-N 453.583 4.541 50 10 JJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccccc3Cl)cc2)cc1 12492538 CEUREECCWHMYRF-UHFFFAOYSA-N 479.964 4.730 50 10 JJGE CC(C)N1CCC(=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)CC1 14017232 QMSXGGSTDXNBIB-UHFFFAOYSA-N 497.231 4.720 50 10 JJGE CC1(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)c1ccccc1F)c1nc3cc(Cl)c(Cl)cc3nc12 101106547 KGTVBYMZSOSKQP-MYODQAERSA-N 473.335 4.692 50 10 JJGE ClCCc1nc2cc(I)ccc2n1C1[C@H]2CN(Cc3ccccc3)C[C@H]12 398438070 HHMNMMVWYULPAC-IRXDYDNUSA-N 477.777 4.725 50 10 JJGE C[C@]1(CBr)CCCN(C(=O)c2cc(Cl)ccc2I)C1 688135340 HBLOLPXJVCIAGH-CQSZACIVSA-N 456.549 4.582 50 10 JJGE O=C(NN=Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1Br 1084148368 ZNVJIMUDFBULJU-UHFFFAOYSA-N 454.280 4.700 50 10 JJGE CCOc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1 1084305942 KRKPMWTYJAOVDU-UHFFFAOYSA-N 473.360 4.888 50 10 JJGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2O)cc1 1865696904 TXMQXFVJUGTNND-MRXNPFEDSA-N 491.267 4.886 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865713109 QZIKPBAOMWQSTR-MRXNPFEDSA-N 475.814 4.730 50 10 JJGE COCCCN1[C@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)C)n2)C[C@H]1C 1868231379 FIGZLPWKHVIBAI-RTBURBONSA-N 454.644 4.852 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@H](Br)CC2(CC2)C1 1926004188 OXGSASFLNANTDL-SECBINFHSA-N 451.984 4.601 50 10 JJGE CC[C@@H](C)[C@H](CI)NC(=O)c1scc(Br)c1Br 2023028067 IDTGXNODSKQMSK-SVRRBLITSA-N 495.018 4.853 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@@H](Br)[C@@H](C2CC2)C1 2030211785 BYNMTDXKGFQMMX-HTQZYQBOSA-N 458.013 4.519 50 10 JJGE O=C(CBr)c1ccc(I)c(Br)c1OC(F)(F)F 2054836231 JKXMBIIZHHVPTM-UHFFFAOYSA-N 487.835 4.530 50 10 JJGE O=C(CBr)c1cc(OC(F)(F)F)c(C(F)F)cc1I 2060383840 IAVXDAJCNHURMY-UHFFFAOYSA-N 458.946 4.705 50 10 JJGE C[C@@H]1C[C@@H](CBr)CCN1C(=O)c1cc(Cl)ccc1I 2115842998 JTTLIUOGIZQYHB-ZJUUUORDSA-N 456.549 4.580 50 10 JJGE C[C@H]1Cc2cc([C@H](Br)c3cnn(C)c3Br)cc(Br)c2O1 2146627966 LXTLKWRUPZXCHY-MADCSZMMSA-N 464.983 4.753 50 10 JJGE O=C(NC[C@@]1(CCl)CC12CCC2)c1cc(Br)ccc1I 2154184125 ZFPAKOKPMVWHHU-HNNXBMFYSA-N 468.560 4.583 50 10 JJGE O=C(c1cc(Br)c(Cl)s1)N1CC[C@](CBr)(C(F)(F)F)C1 2172569321 LRJSOXXQSUGRBD-SNVBAGLBSA-N 455.521 4.954 50 10 JJGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N1CCC[C@H](OCc2ccccc2)C1 2186383272 ZXNNXEIOJXTOLY-IBGZPJMESA-N 472.832 4.913 50 10 JJGE CC(C)(C)OC(=O)Nc1cccc([S@](C)(=O)=NCCCCI)c1 2243589002 JDLKSRBXJOXUMF-QHCPKHFHSA-N 452.358 4.706 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1[C@H]2CC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2249340137 BWUUUKBBCWJGIZ-FZDBZEDMSA-N 475.721 4.564 50 10 JJGE C[C@@H](Br)CN(C(=O)c1cc(Cl)ccc1I)C1CCC1 2272450228 FXEGKXVIBIBUON-SECBINFHSA-N 456.549 4.723 50 10 JJGE COc1cc(Cl)c([C@H](Br)c2cc(I)sn2)c(OC)c1 2277600541 FBUHDBVZVUKOGC-GFCCVEGCSA-N 474.545 4.903 50 10 JJGE CC[C@H](CCCBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277929567 VRZWYJJPVDNRQX-CYBMUJFWSA-N 456.016 4.824 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(OCc2ccccc2F)cc1 2314616875 LRBMAOCCDABQSE-UHFFFAOYSA-N 496.494 4.926 50 10 JJGE CCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)cc1OCC 2314754182 MOQUMXINGPNWQO-UHFFFAOYSA-N 486.524 4.919 50 10 JJGE CC(C)(CI)CN1C[C@@H](CCNC(=O)OC(C)(C)C)c2ccccc21 2326672936 OUFKOVKSUSMQCJ-OAHLLOKOSA-N 458.384 4.966 50 10 JJGE FC(F)(CI)C(F)(F)CNCc1cccc(Cl)c1Br 2336536642 NIOHFJZJRQLMLL-UHFFFAOYSA-N 474.461 4.898 50 10 JJGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1c(F)cc(F)cc1F 2338723108 TVXVMKQZMITYAF-QMMMGPOBSA-N 462.889 4.847 50 10 JJGE C[C@@H]1C[C@H](CBr)CCN1C(=O)c1ccc(Cl)cc1I 2340052039 KJHRJXYAFYUWNW-NXEZZACHSA-N 456.549 4.580 50 10 JJGE CCc1ccc(OCC(=O)NNC(=O)[C@@H](CC)Oc2ccccc2[C@@H](C)CC)c(Br)c1 10683671 NBJUIJQUXQGGSI-OXJNMPFZSA-N 491.426 4.909 50 10 JJGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1c[nH]c2ccccc12 12483141 YOFRBHOHSRZAOA-LSFURLLWSA-N 465.145 4.530 50 10 JJGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=S)NC(=O)c1sc2ccccc2c1Cl 13982103 GWCFVWKZSGXLLK-UHFFFAOYSA-N 496.013 4.936 50 10 JJGE N#C/C(C(N)=O)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1 16758801 VAEKGTIIXLFZRV-NISQSXRWSA-N 452.750 4.558 50 10 JJGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)c1 38678676 SROGEXUHPBRWGU-DEOSSOPVSA-N 491.341 4.960 50 10 JJGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2)c1cccc(C)c1 40813069 BAXGALSHPITWOS-SZXQPVLSSA-N 474.517 4.942 50 10 JJGE COC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2cc(C)c(Cl)c(C)c2)c(OC)c1 40948463 OPUNQPAEDWBXPA-LDADJPATSA-N 457.910 4.810 50 10 JJGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N/N=C/c1cccc(Cl)c1Cl 58989702 QCMTWIQPDWINAB-LGJNPRDNSA-N 483.384 4.879 50 10 JJGE N#Cc1ccccc1OCC(=O)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 59161168 HFIUZXGPFJMFCH-PJJLUWSFSA-N 486.531 4.594 50 10 JJGE O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccccc1OCc1ccc(Br)cc1 96095917 SKWZBSRGYDCXNP-WYMPLXKRSA-N 453.292 4.521 50 10 JJGE COCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)c2cc(C)n(Cc3ccccc3)c2C)c1C 97654774 VJRKWLIPNQIWSF-MYYYXRDXSA-N 473.573 4.551 50 10 JJGE COc1ccc([C@@H](C(=O)NC2CCCCC2)N(CCc2ccc(C)cc2)C(=O)CCl)cc1OC 97914574 BUKMEQIIRSKVFZ-SANMLTNESA-N 487.040 4.812 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H](Br)C1)c1cc(Cl)ccc1I 227768336 SZFDKSQOODWWMJ-NXEZZACHSA-N 456.549 4.628 50 10 JJGE C[C@@H]1CCC[C@](CCl)(NC(=O)c2cc(Br)ccc2I)C1 235340300 ADRLXQAFZRHZNB-BMIGLBTASA-N 470.576 4.971 50 10 JJGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2c(O)ccc3ccccc23)cc1 254387508 SVUUZLUQKHNIPT-FQZLMYBLSA-N 478.552 4.533 50 10 JJGE C[C@H](Br)C[C@H]1CCCN1C(=O)c1ccc(Br)cc1Br 311979650 LJXVTDOEHPJBMT-GXSJLCMTSA-N 454.000 4.990 50 10 JJGE CCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C(=O)OC)cc3)o2)cc1 585139686 KMBRVKVTFWJUMR-HMMYKYKNSA-N 458.470 4.846 50 10 JJGE CC1(CCl)CCN(C(=O)c2ccc(I)c(Br)c2)CC1 721613246 KPVCCJAJHLFICX-UHFFFAOYSA-N 456.549 4.535 50 10 JJGE O=C(NCC(F)(F)F)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238500 UIOVIFIPPPVNEN-AWEZNQCLSA-N 458.811 4.759 50 10 JJGE CN(C)[C@H](CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)c1ccc(F)cc1 918653101 DZYPNIVPPCERBV-FIYNTEMGSA-N 490.970 4.582 50 10 JJGE C[C@@H](NC(=O)C(=O)NN=Cc1c(OCc2ccccc2)ccc2ccccc12)c1ccccc1 1084004890 ZZJPIOZTLPUEAA-HXUWFJFHSA-N 451.526 4.746 50 10 JJGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccccc1C#N 1084360315 SSTHSOIAEGNPHM-AREMUKBSSA-N 453.542 4.830 50 10 JJGE Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(N3CCCC3)o2)cc1 1084431067 ZTVZWQAHFAEUFL-UHFFFAOYSA-N 455.356 4.814 50 10 JJGE C=C(CBr)CN1Cc2ccccc2OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1620614984 IGIKWTFFPMGEAF-UHFFFAOYSA-N 451.405 4.602 50 10 JJGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CCC)cc1OC 1865696233 CTUXZVYFLCPRQG-KRWDZBQOSA-N 450.461 4.718 50 10 JJGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)cc1OC 1865697012 NFRZHKAAOKMHKU-JOCHJYFZSA-N 460.534 4.501 50 10 JJGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccccn2)C(C#N)=C(N)O3)cc1 1865700479 VEJWTHPIDXRLBO-OAQYLSRUSA-N 455.905 4.814 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1865709196 QXOBXQQBCJESQP-JOCHJYFZSA-N 466.472 4.654 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 1873794649 SNQMQSOSIYYSCR-HUQXMHCUSA-N 457.546 4.794 50 10 JJGE O=C(c1scc(Br)c1Br)N1CC[C@H](Br)C12CCC2 1914398290 IPWNWXICOCTLAX-QMMMGPOBSA-N 458.013 4.805 50 10 JJGE C[C@@H]1CN(C(=O)c2csc(Br)c2Br)CC[C@@H]1CBr 2046679953 QCADTTUFDYFMQD-HTQZYQBOSA-N 460.029 4.766 50 10 JJGE O=C(N[C@H]1CC[C@H](CCl)CC1)c1cc(Br)ccc1I 2118506867 JHDHDJPBGXXFCM-HOMQSWHASA-N 456.549 4.581 50 10 JJGE Fc1cc(Br)cc(N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)c1CBr 2170693436 ZLRWMABTJXRCFL-RTWAWAEBSA-N 498.234 4.963 50 10 JJGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)n(C(C)C)c1 2179859953 LDHBJXVBYPFFSP-UHFFFAOYSA-N 457.434 4.580 50 10 JJGE O=C(NC[C@]1(CCl)C[C@H]1C(F)(F)F)c1csc(Br)c1Br 2192581107 JQIDMQIMFCEANX-LHLIQPBNSA-N 455.521 4.810 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCc2ccccc2C(F)(F)F)C1 2220471562 IHIWOBPDURVKNO-KBPBESRZSA-N 471.257 4.645 50 10 JJGE COc1cc([C@H](Br)c2cc(I)sn2)c(OC)cc1C 2228528300 WCPCUCMHOCYVED-ZDUSSCGKSA-N 454.127 4.558 50 10 JJGE CC[C@@H](C)[C@@H](CBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277931197 WKBKYJPFMHWZRH-NOZJJQNGSA-N 456.016 4.680 50 10 JJGE N#CC(=Cc1ccc(OC(=O)COc2cc(Cl)ccc2Cl)cc1)C(=O)NCc1ccco1 2314754778 BJEFKZDHMJHKGN-UHFFFAOYSA-N 471.296 4.794 50 10 JJGE CC(=O)c1ccc(NC(=O)C(C#N)=CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2318461955 BAYAJEBCTXMLIW-UHFFFAOYSA-N 464.569 4.642 50 10 JJGE Cc1c([N+](=O)[O-])cc(C(O)=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1[N+](=O)[O-] 2331236543 DEEJFNASJAOFGV-UHFFFAOYSA-N 453.392 4.793 50 10 JJGE O=C(N[C@H]1CC[C@@H]2C[C@]12CBr)c1ccc(Br)cc1Br 2331773612 XKUPNFRNCKKMMO-CWONEXCFSA-N 451.984 4.505 50 10 JJGE CN1CCC[C@]1(C)CO[C@](C)(CI)c1ccccc1Br 2362025286 NBPKGQZEOYRBPT-HZPDHXFCSA-N 452.174 4.600 50 10 JJGE Cn1cc([C@H](Br)c2cc3c(cc2Br)OCCC3)nc1Br 2369617160 YHUUEVLKPSSJAL-CYBMUJFWSA-N 464.983 4.754 50 10 JJGE CCn1nc(Br)c(C[C@H](CBr)Cc2cccc(Br)c2)n1 2379912415 RVAKJVYEQSGKBW-LLVKDONJSA-N 466.015 4.619 50 10 JJGE Clc1ccc(I)cc1CN(CCCBr)C1CCOCC1 2381152017 UJAHWWFOOHPGBC-UHFFFAOYSA-N 472.592 4.711 50 10 JJGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)c1ccc(OCCc2ccccc2)cc1 14041614 MYIICOGOYRMKNV-UHFFFAOYSA-N 466.537 4.815 50 10 JJGE O=C(Cc1cccc2ccccc12)NNc1ncnc2c1cnn2-c1ccc(Cl)c(Cl)c1 26895096 CGPGIBAEPXBFPU-UHFFFAOYSA-N 463.328 4.961 50 10 JJGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccs1 38656566 UNDRGMUHURLNSB-QFIPXVFZSA-N 452.919 4.913 50 10 JJGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)c1 38684904 QEXMCWDINBCYRV-RUZDIDTESA-N 476.916 4.941 50 10 JJGE O=C(COc1cccc(Br)c1)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 40912293 KRHIFNAAXWBQIH-VULFUBBASA-N 462.347 4.981 50 10 JJGE CCCc1ccc(OCC(=O)N/N=C/c2cccc(Br)c2)c(Br)c1 40959978 YQDVNJPZKHLXFU-SRZZPIQSSA-N 454.162 4.693 50 10 JJGE O=C(O)C(CCl)(CCl)CN(/N=N/c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 103750158 RVZKRJLDUVQNBL-QZQOTICOSA-N 456.242 4.557 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC)C(=O)C(C#N)=C2C)cc1 214209622 NOMDKPWLYIIGQP-JLPGSUDCSA-N 466.541 4.940 50 10 JJGE CCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OCC 214389385 MUHUYDHACNJZDF-MTJSOVHGSA-N 488.540 4.785 50 10 JJGE C[C@@H](Br)C1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1 235123923 UFKYIHHPNQKXPJ-SECBINFHSA-N 454.000 4.847 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccccc3F)cc2OCC)cc1 254816265 DTYCGDRQLMHNPG-UHFFFAOYSA-N 464.493 4.996 50 10 JJGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N(CCCBr)C1CC1 404232557 WMFOVLCKXQGAHM-UHFFFAOYSA-N 466.022 4.694 50 10 JJGE BrCc1c(Br)cccc1N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 706660206 ZLXFHSMABADRQL-IAGOWNOFSA-N 450.218 4.912 50 10 JJGE FC(F)(F)C[C@H](CBr)NCc1cc(Cl)ccc1I 717829949 PDMYWHAETWMPSF-SECBINFHSA-N 456.471 4.750 50 10 JJGE O=C(COc1ccccc1-c1ccccc1)NNC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 1086999961 ZKWRYPPJXWYDJP-LEWJYISDSA-N 454.448 4.702 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1cc(Cl)ccc1O 1865690012 YZBUVXUDJHKJRB-INIZCTEOSA-N 464.806 4.666 50 10 JJGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865693031 QUKOSJPYUIFHOH-NRFANRHFSA-N 450.926 4.714 50 10 JJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705980 LCGXBXCHAGFREX-GOSISDBHSA-N 456.289 4.868 50 10 JJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1 1865708533 AQFRAANBDWRWHP-QGZVFWFLSA-N 488.853 4.608 50 10 JJGE CSCC[C@H](NC(=O)CCc1csc(-c2ccccn2)n1)C(=O)Nc1ccc(SC#N)cc1 1867057166 LXWZIFMHZYGWRA-IBGZPJMESA-N 497.671 4.587 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)Cc1ccc(Cl)c(Br)c1F 1905372011 QXNUWKXABWXIGN-JTQLQIEISA-N 475.539 4.844 50 10 JJGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 1916364274 KJBZRGQGEGECKK-CQSZACIVSA-N 467.212 4.594 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@@H](Br)CC2(CC2)C1 1926030090 NRPRMHHHPQAOPK-JTQLQIEISA-N 451.984 4.601 50 10 JJGE FC(F)(F)c1cccc(-n2nc(CBr)c(I)c2C(F)(F)F)n1 2078924298 WNXIMVYPHZRYNE-UHFFFAOYSA-N 499.978 4.804 50 10 JJGE CCCN1CC[C@H]([C@H](Br)c2csc(Br)c2Br)S1(=O)=O 2093944092 DMVRYECETPWGTI-RKDXNWHRSA-N 496.084 4.523 50 10 JJGE CC(C)(C)OC(=O)N[C@H](C[S@@](C)(=O)=NC[C@@H](CBr)CC1CC1)C(C)(C)C 2112869289 RODXEFCDCPVDID-KVUUWBKYSA-N 453.487 4.835 50 10 JJGE Cn1cc([C@H](Br)c2c(Br)cc(F)c(F)c2F)c(Br)n1 2116551461 ILXRYQQRHFFVRN-QMMMGPOBSA-N 462.889 4.847 50 10 JJGE C[C@@H](Br)CCCc1cn(-c2ccc(Cl)cc2I)nn1 2132765281 UOAWSLFBNOUIAU-SECBINFHSA-N 454.537 4.631 50 10 JJGE Cc1cc(C(=O)NCC[C@H]2CCCC[C@@H]2Br)ccc1I 2207112308 XQDNDIFKDFFMJO-OCCSQVGLSA-N 450.158 4.673 50 10 JJGE O=C(c1ccc(Br)cc1I)N1[C@H](CCl)C[C@H]2CCC[C@H]21 2207267255 FCEXXTLCAPRMTO-OLUVUFQESA-N 468.560 4.676 50 10 JJGE C[C@H]1CCCN(C(=O)c2ccc(Br)cc2I)[C@@H]1CCCl 2207272297 NCSMXZLXKTYWJO-IINYFYTJSA-N 470.576 4.923 50 10 JJGE O=C(NC[C@@]12CCC[C@@]1(CBr)C2)c1ccc(Br)cc1Br 2208039042 ILUMCHXWCCQLLM-GJZGRUSLSA-N 466.011 4.897 50 10 JJGE CCC(CBr)(CBr)NC(=O)c1sc(C)c(C)c1Br 2221834015 DHEABDRAUIEPTO-UHFFFAOYSA-N 462.045 4.796 50 10 JJGE O=S1(=O)CCC[C@H]([C@H](Br)c2cc(Br)c(Br)cc2F)C1 2225615343 GMXNCGXQYZODCM-MADCSZMMSA-N 479.003 4.612 50 10 JJGE CC[C@@H](C)[C@@H](CI)NC(=O)c1cc(F)c(Br)cc1Cl 2267804648 YFCRMJFNSQNMIS-JMCQJSRRSA-N 462.528 4.821 50 10 JJGE CC1CC(CBr)(CN2CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C2)C1 2280056838 LRGODRHDTUBPRG-NWPKHEMWSA-N 457.375 4.823 50 10 JJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2cccnc2)c(C)c1 2296705067 MABNAYXEVAZQRE-UHFFFAOYSA-N 463.541 4.865 50 10 JJGE FC(F)(CBr)[C@@H]1CCN(Cc2ccc(Cl)c(I)c2)C1 2337218092 DWLZKLSWVRUZPD-SNVBAGLBSA-N 464.519 4.797 50 10 JJGE Cc1c(C(=O)NCCC(C)C)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40822095 FGDLNSBWGVJIOS-WPWMEQJKSA-N 480.392 4.906 50 10 JJGE COc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)c1 40825778 OKWMHHOMXNCFCU-MWAVMZGNSA-N 468.513 4.868 50 10 JJGE O=C(N/N=C(/CSc1nc2ccccc2o1)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 59460587 YMKHPXHTFBUCRU-PLRJNAJWSA-N 450.451 4.802 50 10 JJGE O=S(=O)(NCCCCCCBr)c1c(Cl)cc(Br)cc1Cl 236034441 ZCRJHRGTVWYAPA-UHFFFAOYSA-N 468.038 4.990 50 10 JJGE COc1ccccc1N[C@@H](C)C(=O)NN=Cc1ccccc1OCc1ccc(Br)cc1 251536770 HUMWVRIJYCPJPW-KRWDZBQOSA-N 482.378 4.987 50 10 JJGE O=C(CCCCBr)Nc1ccc(I)cc1Br 300911246 FIZWGCLYSAXARL-UHFFFAOYSA-N 460.935 4.557 50 10 JJGE CC(C)(C)[C@@H](Br)CNC(=O)c1cc(I)ccc1Br 324595616 GQYWIYVDWBSRJW-NSHDSACASA-N 488.989 4.593 50 10 JJGE C[C@@]1(CBr)CCCCN1C(=O)c1cc(Br)ccc1Br 723012358 PSXWQSRDFDAPLV-AWEZNQCLSA-N 454.000 4.991 50 10 JJGE CC(C)C(=O)Nc1cccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1 914758930 BLGAZMVSWMDJGV-ZHZULCJRSA-N 452.518 4.604 50 10 JJGE N#C/C(=C\c1ccc(OCc2ccc3c(c2)OCO3)cc1)C(=O)NCCc1c[nH]c2ccccc12 1084358522 BUPAGAHGLMDOIZ-LPYMAVHISA-N 465.509 4.741 50 10 JJGE O=C(COc1ccc(Cl)cc1Cl)NN=Cc1ccc(OC(=O)Cc2ccccc2)cc1 1084653914 OWHNWNBKONVRAA-UHFFFAOYSA-N 457.313 4.671 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865713329 WPJCJBDIFAVTOA-MRXNPFEDSA-N 475.814 4.730 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)cc1OC 1872745304 HBJZBBHQXFYCBQ-HKWRFOASSA-N 468.447 4.902 50 10 JJGE CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)/C(C#N)=C/c1ccccc1 1873701214 YAVZEULINJQYBM-WLUIYZDRSA-N 491.588 4.517 50 10 JJGE CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@H]2C[C@@H](Br)C2)cc1Br 2020190611 LZAANMRIDARDRJ-KLPPZKSPSA-N 462.182 4.699 50 10 JJGE CSCC[C@H](Br)CCNC(=O)c1cc(Br)c(Br)s1 2029925787 TZRIPPWIUGWTFD-SSDOTTSWSA-N 480.085 4.910 50 10 JJGE CC1(C)C[C@H](CBr)CN1C(=O)c1scc(Br)c1Br 2064383931 YZNHOSJLLKTKPO-SSDOTTSWSA-N 460.029 4.909 50 10 JJGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2c1ncc(I)cc1Br 2069529804 UDXXAXSTVOLUAZ-UGKPPGOTSA-N 485.989 4.589 50 10 JJGE CC(C)(C)[C@@H](CBr)CNC(=O)c1cc(Br)cc(Br)c1 2090200099 XQGJGBJLFHYYOE-JTQLQIEISA-N 456.016 4.999 50 10 JJGE CS(=O)(=O)c1csc([C@H](Br)c2cc(Cl)ccc2I)c1 2093075060 SOKZRAPKDPJSQU-GFCCVEGCSA-N 491.597 4.894 50 10 JJGE CC(C)(C)[C@]1(CBr)CCN(C(=O)c2sccc2I)C1 2104654753 UIIIPAWOSPIILD-AWEZNQCLSA-N 456.187 4.626 50 10 JJGE O=C(N[C@H]1CC[C@H](CBr)CC1)c1ccc(I)c(Cl)c1 2118467018 CAUHFHGHKOQQNG-HOMQSWHASA-N 456.549 4.628 50 10 JJGE CCCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(CBr)cs1 2179816980 VGDIHJJEVKXHOI-UHFFFAOYSA-N 471.486 4.708 50 10 JJGE COc1nccc2c1nc(CCCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2288669268 BFVOBDXIZQNSOO-UHFFFAOYSA-N 477.008 4.693 50 10 JJGE CCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1 2296798420 RHOGACKSMNYABG-UHFFFAOYSA-N 488.481 4.978 50 10 JJGE N#CC(=Cc1cccc(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 2297504957 XRQOPDYJOMMHFY-UHFFFAOYSA-N 451.074 4.665 50 10 JJGE CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NNC(=O)C(c1ccccc1)c1ccccc1 2313681740 MGEYDXKPSIQZMC-UHFFFAOYSA-N 482.584 4.925 50 10 JJGE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2)c1 2314533529 RNJXVPMUGMAUPH-UHFFFAOYSA-N 456.889 4.994 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OC)c1OCc1ccccc1 2328821140 ONYGWMNMDFWOEA-AVRDEDQJSA-N 469.582 4.664 50 10 JJGE COc1ccc(CC(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)c(OC)c1 2331411902 OVEPIBPCHXSGPM-UHFFFAOYSA-N 468.531 4.888 50 10 JJGE COc1cc(C=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)ccc1OCCN1CCOCC1 2331448961 VTJCNNOQNHSCTQ-UHFFFAOYSA-N 491.613 4.911 50 10 JJGE Cc1cc(Br)c(CBr)c(N(C)CCn2cc(Br)cn2)c1 2361518875 GEQXCXZDHBGBAE-UHFFFAOYSA-N 466.015 4.748 50 10 JJGE O=C(NC[C@H]1CC[C@H](CBr)CC1)c1ccc(Cl)cc1I 2365591967 JMJKNMAZYIFPPL-XYPYZODXSA-N 470.576 4.876 50 10 JJGE CC(C)(CBr)[C@H]1CCCN1C(=O)c1ccc(Cl)cc1I 2365596860 BXSPAGDKDVCAEB-CYBMUJFWSA-N 470.576 4.970 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(F)(F)F)CCN1C[C@]1(CBr)CC1(F)F 2379983398 DUPLXGJUOBHIOU-SLEUVZQESA-N 465.301 4.574 50 10 JJGE COc1ccc(CBr)c(OCc2cc(I)ccc2Cl)n1 2380354347 XWCVLCNLOZWYEV-UHFFFAOYSA-N 468.516 4.822 50 10 JJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1 38650619 NUQDPFOAYHYISZ-HHHXNRCGSA-N 486.524 4.687 50 10 JJGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-])[C@H](Br)C2=O 39753045 HIISHVHGHPLXIJ-JLZZUVOBSA-N 464.143 4.999 50 10 JJGE COc1ccc(C(=O)NNC(=O)C(C)(C)CCCOc2cc(C)ccc2C)cc1Br 66201430 DDBGFWCFKRXWCD-UHFFFAOYSA-N 477.399 4.721 50 10 JJGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccc(N)c(Cl)c1 217251207 CEUVYFHYDIQNIP-QOCHGBHMSA-N 471.992 4.675 50 10 JJGE CC(=NNC(=O)c1ccc(Br)o1)c1cccc(NC(=O)/C=C\c2ccccc2)c1 254404917 ZOKHCNAGZPKTAN-LHZFBKPSSA-N 452.308 4.848 50 10 JJGE O=C(NC[C@@H]1CCC[C@H](CBr)C1)c1ccc(I)c(Cl)c1 380155652 YFVPJGTZOKTIDJ-WDEREUQCSA-N 470.576 4.876 50 10 JJGE COc1ccccc1/C=C\C=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1 585656644 LBWRXFBODMFKNZ-PIFJBOSISA-N 484.581 4.610 50 10 JJGE C[C@H]1CCCN(C(=O)c2cc(Br)ccc2I)[C@H]1CCl 688669112 WLWLHNTVGACIEA-ZANVPECISA-N 456.549 4.533 50 10 JJGE O=C(CCOc1ccccc1)NNC(=O)c1oc2ccccc2c1COc1ccccc1Cl 726531666 VEJORDVAXHRPML-UHFFFAOYSA-N 464.905 4.895 50 10 JJGE Cc1ccsc1C=NNC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 1084198033 ZISLBTPXNDEOHE-UHFFFAOYSA-N 482.414 4.709 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCC)c(Br)c2)cc1 1084291467 AZAXFQCSNXSHGD-IBGZPJMESA-N 483.790 4.864 50 10 JJGE CN(C)C(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 1084534769 GQDWJOXNXADZOP-VGOFMYFVSA-N 464.703 4.585 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](CBr)[C@H](c2ccc(Br)cc2[N+](=O)[O-])C1 1614689563 BMYXWZZMDUZYBI-GXFFZTMASA-N 464.154 4.703 50 10 JJGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865684184 VSXZRMAIZMWAMD-NRFANRHFSA-N 455.905 4.814 50 10 JJGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1c(F)cccc1Cl 1865693286 MQMSDZSXTYAPBX-OAQYLSRUSA-N 468.916 4.658 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)c1 1865712365 WNRQJBGVESJYEO-QGZVFWFLSA-N 460.843 4.830 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865712509 AHUSWBYGGFRULU-OAHLLOKOSA-N 461.787 4.671 50 10 JJGE N#CC(C(=O)COC(=O)C=Cc1cn(-c2ccccc2)nc1-c1cccs1)=C1Nc2ccccc2N1 2042439780 BDOJFJOMLYPSPP-UHFFFAOYSA-N 493.548 4.999 50 10 JJGE C[C@H]1CC[C@@H](CBr)N(C(=O)c2c(Br)cccc2Br)C1 2110612708 PBRVWVSANOIBAY-UWVGGRQHSA-N 454.000 4.847 50 10 JJGE Cc1cc(Br)c(-n2cc(CC[C@H](C)Br)nn2)c(Br)c1 2132754269 LRMUHMMQIBCPCW-VIFPVBQESA-N 451.988 4.817 50 10 JJGE CC(C)(C)OC(=O)Nc1ccc([S@@](C)(=O)=NC(=O)[C@H](Br)C2CCCC2)cc1 2167034369 WONXZBWLQIQNPB-CHAGWJKLSA-N 459.406 4.971 50 10 JJGE O=C(NC[C@]12CCC[C@@]1(CCl)C2)c1cc(I)ccc1Br 2208037924 AKYYSCWDUUCTEL-LSDHHAIUSA-N 468.560 4.583 50 10 JJGE C[C@H](Br)[C@H]1CCCCN1C(=O)c1ccc(Cl)c(I)c1 2268352265 ZGCHUVFXEYTTRP-TVQRCGJNSA-N 456.549 4.723 50 10 JJGE CC[C@@H]1[C@@H](Br)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2277933843 ZJZXBGKWLPHBRG-QWHCGFSZSA-N 454.000 4.529 50 10 JJGE C=CC[C@]1(CBr)CCN(C(=O)c2ccc(Cl)c(I)c2)C1 2287766158 WPNXADYRUZSKMK-OAHLLOKOSA-N 468.560 4.748 50 10 JJGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(CC)cc1 2314593885 VMUHZOLUXSTMFU-OAQYLSRUSA-N 485.531 4.996 50 10 JJGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2COCCO2)c1Br 2315448975 JBQJVWCRGQSNNB-APPZFPTMSA-N 467.354 4.856 50 10 JJGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2)c1 2328833122 DGMVTTGNKOOBAQ-NRFANRHFSA-N 459.974 4.918 50 10 JJGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)CNS(=O)(=O)c3ccc(C)cc3)n2)c1 2331377062 DBFKHWPSTTWNRG-UHFFFAOYSA-N 499.614 4.687 50 10 JJGE COc1ccc([C@@H](Br)[C@@H]2C[C@H]2C2CCOCC2)cc1I 2359465413 LSCYXWUVQLLMRB-WOSRLPQWSA-N 451.142 4.799 50 10 JJGE C[C@@H]1CC2CC(CO[C@@H](CI)c3cccc(Br)c3)(C2)O1 2368113500 MSWCUYSLFRULJD-IABDWYQCSA-N 451.142 4.899 50 10 JJGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1sc2ccccc2c1Cl 14031735 RASHAGAKZLYWAP-CYBMUJFWSA-N 484.002 4.811 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1OC 38659502 YCUGXMYKEHJAHQ-HHHXNRCGSA-N 486.524 4.605 50 10 JJGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1 38687053 HEJKBQYDCRJHAV-UIOOFZCWSA-N 468.509 4.774 50 10 JJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3C)nc3ccccn3c2=O)cc1 39858884 BWYHOZFWHCZKHW-SILNSSARSA-N 494.507 4.518 50 10 JJGE COc1ccc([C@H](Br)c2cccc(I)c2)c(OC)c1OC 40289980 ZHDAGDRMSSNHBO-CQSZACIVSA-N 463.109 4.801 50 10 JJGE CCc1ccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40587360 UCXSPOFNIXBKON-UHFFFAOYSA-N 477.308 4.520 50 10 JJGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813386 CYDJHQBGPXMQKP-MTDXEUNCSA-N 479.920 4.735 50 10 JJGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)ccc1OCc1ccccc1 58892465 MEFIPBWAXWOVPT-PPEIKGMUSA-N 467.363 4.992 50 10 JJGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCCC[C@@H]1CBr 147392813 PLCKEIHNMYFUJA-SECBINFHSA-N 466.022 4.694 50 10 JJGE O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1cc(-c2ccccc2)nc(N2CCCCC2)n1 169927454 CIKIVJCUVDSHIS-LQKURTRISA-N 453.468 4.917 50 10 JJGE CC(=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1ccc(O)cc1 254578254 ACYREZIWAVTGAL-UHFFFAOYSA-N 457.559 4.581 50 10 JJGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2CC)cc1OC 254841849 WGVCQGHSSTWPPD-UHFFFAOYSA-N 495.649 4.912 50 10 JJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccccc2C)cc1 254857902 HBHFPFQETWCOIL-UHFFFAOYSA-N 468.509 4.905 50 10 JJGE O=c1[nH]c2cc(Br)c([C@H](Cl)c3sccc3I)cc2[nH]1 311823111 CVQGPKHMALFISB-JTQLQIEISA-N 469.529 4.613 50 10 JJGE O=c1c2ccccc2nc(CCl)n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705615455 GMJJDXIBHZSFOF-UHFFFAOYSA-N 459.977 4.607 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1c(F)cccc1Cl 1084119177 FVXNSWAOSIFMNB-UWKDKTGGSA-N 458.917 4.659 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](CBr)C1 1614629478 JWWGMACKMAOXCQ-YOEHRIQHSA-N 453.720 4.995 50 10 JJGE C#C[C@@H](NC(=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccc(F)cc1 1624784310 GXOHQMNTDNPWEZ-AREMUKBSSA-N 459.637 4.583 50 10 JJGE CCCCC1CCC(C(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)CC1 1860770851 ZQCOZBYDLTZQGT-UHFFFAOYSA-N 480.634 4.577 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1865680614 PYZALUDWNQLKQD-QFIPXVFZSA-N 470.916 4.881 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)cc1OCC 1865688887 DHIKESXBPHRTEX-XMMPIXPASA-N 458.562 4.818 50 10 JJGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 1865708949 JZECSTWJFBUSLO-QHCPKHFHSA-N 456.546 4.506 50 10 JJGE O=S1(=O)CC[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924571848 VDGNJRIDMGNZBD-AWFVSMACSA-N 473.433 4.503 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@]2(CC[C@](C)(CI)O2)C(F)(F)CC1 2020326786 MJQVOGUURWZSSF-CVEARBPZSA-N 459.315 4.786 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Br)sc2Br)[C@H](C)C[C@@H]1Br 2032202463 PIWJQOTURIJSGM-BHNWBGBOSA-N 460.029 4.907 50 10 JJGE CS(=O)(=O)C1([C@@H](Br)c2ccc(Br)cc2Br)CCC1 2083332668 JQKYIBJRWSGPFP-NSHDSACASA-N 461.013 4.615 50 10 JJGE CSCC[C@H](Br)CCNC(=O)c1ccc(Br)cc1Br 2090385094 NGSFLPJDWAUHKN-SECBINFHSA-N 474.056 4.848 50 10 JJGE O=C(c1c(Br)cccc1Br)N1[C@H]2CC[C@@H]1C[C@@H](Br)C2 2098693651 GOAABZKEPSNIFE-OWUUHHOZSA-N 451.984 4.742 50 10 JJGE C[C@]1(CBr)CC(F)(F)CN1Cc1cc(Cl)ccc1I 2102803656 JYZXOSCZBUQQCN-GFCCVEGCSA-N 464.519 4.939 50 10 JJGE CN(C(=O)c1c(Br)cccc1Br)C1CCC(Br)CC1 2103906714 DDNZSXAKBLXRSL-UHFFFAOYSA-N 454.000 4.990 50 10 JJGE C[C@H](NC(=O)c1ccc(I)c(Cl)c1)[C@@H]1CCC[C@@H]1Br 2111557104 DYCAGVMOSBHAOO-LSJOCFKGSA-N 456.549 4.627 50 10 JJGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)N1CCCC[C@H]1CBr 2123231522 FSYFGBBHNOAMSO-AEFFLSMTSA-N 457.459 4.806 50 10 JJGE O=C(NCC1(CCl)CCCC1)c1ccc(Br)cc1I 2142284595 FDPWGHVSOHMNEY-UHFFFAOYSA-N 456.549 4.583 50 10 JJGE Fc1cc(Br)cc(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)c1CCl 2170696416 DKUZVBLSGNLFRK-NHCUHLMSSA-N 453.783 4.807 50 10 JJGE C[C@@](CI)(OCCCN1CCCC1)c1ccccc1Br 2175876329 HVLUGPUCYIYMOY-INIZCTEOSA-N 452.174 4.602 50 10 JJGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(C)c(F)c(CBr)c1 2179863696 QFHCJWKQXZUZAD-UHFFFAOYSA-N 458.393 4.645 50 10 JJGE Cc1c(CBr)cccc1S(=O)(=O)N1CC[C@]1(C)CCOCc1ccccc1 2197751415 FUSWKZHOTSFRHY-OAQYLSRUSA-N 452.414 4.650 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@H](C(F)(F)CBr)C1 2197771635 XQZMZTLDYFYTKT-QMMMGPOBSA-N 475.953 4.704 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCC[C@@]1(C)CNC(=O)OC(C)(C)C 2244481447 FXDQVYYUFRKTOG-KKSFZXQISA-N 463.710 4.566 50 10 JJGE CC(C)[C@@H](Br)CCNC(=O)Cc1cc(Br)cc(Br)c1 2277930857 YUUBBLGUSQNLFX-ZDUSSCGKSA-N 456.016 4.680 50 10 JJGE CC[C@@H]1[C@H](Br)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2277933841 ZJZXBGKWLPHBRG-CHWSQXEVSA-N 454.000 4.529 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1[C@H]2CC[C@H]1[C@H](CBr)C2 2295306797 AYWQCWGUOSDDMJ-BPNCWPANSA-N 466.011 4.529 50 10 JJGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)cc1 2296720879 MRSYZPNLCNVOOX-UHFFFAOYSA-N 484.487 4.879 50 10 JJGE CCOc1cc(C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314619116 ZXIJSJGBAXOXRU-UHFFFAOYSA-N 474.557 4.602 50 10 JJGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 2314735824 FUDBOXIFXXUCAC-UHFFFAOYSA-N 476.558 4.607 50 10 JJGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)C=Cc2cc(Br)c(OC)c(OC)c2)c1 2314770638 OBYGRHPLYHCBKB-UHFFFAOYSA-N 486.318 4.555 50 10 JJGE CN(Cc1c(Br)cccc1Br)C[C@H](Br)C(F)(F)F 2318203154 OAZFDDZFVASZJX-JTQLQIEISA-N 453.922 4.969 50 10 JJGE COc1cc(C=C(C#N)c2nc3ccccc3n2C)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2331019583 AVEOCQTXAPHENV-UHFFFAOYSA-N 454.442 4.773 50 10 JJGE COc1ccc([C@H](Br)c2c(Br)nc(C)n2C)c(Br)c1 2337278145 CHSJHAYFHKMHTD-NSHDSACASA-N 452.972 4.746 50 10 JJGE COc1cc(Br)c([C@@H](Br)c2c(Br)ncn2C)cc1C 2337286081 VRNQEUXJDURXKH-LLVKDONJSA-N 452.972 4.746 50 10 JJGE C[C@H]1[C@H](C)N(C(=O)c2ccc(I)c(Cl)c2)CC[C@H]1Br 2344520854 PVYJDIRLHMXPEV-ATZCPNFKSA-N 456.549 4.579 50 10 JJGE CC(C)[C@H](Br)C(C)(C)CNC(=O)c1cc(I)ccc1F 2365995774 QEPPXNYCMZNXBG-ZDUSSCGKSA-N 456.137 4.606 50 10 JJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCC(C)C)cc2)cc1 14029202 ZZJWQLTWRKRBRW-UHFFFAOYSA-N 471.623 4.630 50 10 JJGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)Cc1cccc2ccccc12 14649849 XDLMMZJLTGZSHV-UHFFFAOYSA-N 455.352 4.785 50 10 JJGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)C1=O 38607619 QRVLXPYJWIBKLW-HZHRSRAPSA-N 464.525 4.635 50 10 JJGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)c1 38684385 FJUVJJJBYNOOTN-SANMLTNESA-N 474.488 4.817 50 10 JJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC=C)C(=O)C(C#N)=C2C)cc1 101303371 URGKCLCBRDHAME-KOEQRZSOSA-N 476.536 4.882 50 10 JJGE O=C(N/N=C\c1cccc(Cl)c1Cl)c1ccc(Nc2nc3ccccc3c(=O)[nH]2)cc1 169927938 JDWVEVRKRVQNML-ROTLSHHCSA-N 452.301 4.737 50 10 JJGE COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)NC[C@H]2CCC[C@@H](CN=C=O)C2)cc1 170287996 AQHSMFBSSAUZOV-PKTZIBPZSA-N 451.567 4.558 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1OC 205649371 HZWMCFDIKOJWGA-JFAWTQTESA-N 498.535 4.939 50 10 JJGE O=C(Oc1ccc(C=NNC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1)c1ccccc1 252623508 OTDXSKDPVRVBMS-UHFFFAOYSA-N 458.905 4.568 50 10 JJGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/NC(=O)CCCSc1ccccn1 253575912 VEHBMDMFIKVNAA-ZXVVBBHZSA-N 462.623 4.589 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2cccc(-n3cccn3)c2)c(-c2ccc(Cl)cc2)n1 915866310 CLHQVLSCHRUEJO-RGEXLXHISA-N 467.920 4.849 50 10 JJGE C[C@@H](CCc1ccc2c(c1)OCO2)OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 920168727 BBCWNMKFEAMQCU-UQRWVXEISA-N 468.513 4.664 50 10 JJGE CC(=O)c1ccc(C(=O)NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1O 1540613764 HQWPQAAHPJCFNZ-UHFFFAOYSA-N 459.889 4.538 50 10 JJGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1C(=NNC(=O)c1ccncc1)CCC2 1772745673 GUJZEPMWNPQQFD-UHFFFAOYSA-N 456.424 4.725 50 10 JJGE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702414 VGVQNQIDDMYBPW-GOSISDBHSA-N 459.706 4.954 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(C(=O)O)cc1 1865708956 KCCZYPHOWKRGJR-INIZCTEOSA-N 492.816 4.659 50 10 JJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1 1865709184 QKQACIIXHHIVOJ-HSZRJFAPSA-N 462.509 4.853 50 10 JJGE O=C(COc1ccc(C(=O)NCc2ccccc2)cc1)N/N=C/c1cccc(OCc2ccccc2)c1 1873496211 JCWJMRCSAMNECF-UZWMFBFFSA-N 493.563 4.725 50 10 JJGE O=S1(=O)CC[C@@H]1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 1899880806 BPLSIWJRKMNVQJ-IAGOWNOFSA-N 460.187 4.651 50 10 JJGE CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(Br)c(CCl)c2)CO1 1915478464 AKGVJTXQTTWUFS-QGZVFWFLSA-N 472.832 4.946 50 10 JJGE O=S1(=O)CCC[C@H]([C@H](Br)c2sc(Br)cc2Br)C1 1922887102 UXUPQLPXLYKZTD-RCOVLWMOSA-N 467.042 4.534 50 10 JJGE O=C(N[C@H](CCl)CC1CCCC1)c1cc(I)ccc1Br 1926734884 GPXCUFBINDFXOX-LBPRGKRZSA-N 470.576 4.971 50 10 JJGE COCCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 2009621453 GGHVXMFIIWXSAA-UHFFFAOYSA-N 497.274 4.633 50 10 JJGE Cc1c(Br)c(COc2cccc(Br)c2CBr)nn1C 2093829752 SAUZQFDDPAPWEW-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE COCC1(COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)CCCCC1 2094486095 DVARNCIZPJXCTJ-UHFFFAOYSA-N 481.415 4.805 50 10 JJGE CC1(C)C[C@H](CCl)N(C(=O)c2cc(I)ccc2Br)C1 2094744326 POROUBLCDVXNHK-SNVBAGLBSA-N 456.549 4.533 50 10 JJGE BrCc1ccc(N2CC[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c(Br)c1 2129051258 GGMULXKBTGQRSU-RTWAWAEBSA-N 480.244 4.824 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@H](Br)C(F)(F)CC1 2150019693 UNWGNRYCECSFJN-NSHDSACASA-N 475.953 4.846 50 10 JJGE C[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2Cl)[C@@H](C)CN1Cc1ccccc1 2179792616 IOFAKEPQTLNGCH-HOTGVXAUSA-N 471.848 4.518 50 10 JJGE CC1(C)CCCN(S(=O)(=O)c2cc(Cl)c(Br)s2)[C@@H]1CBr 2185810692 FBRRKNCSLIOPEH-SECBINFHSA-N 465.660 4.738 50 10 JJGE O=C(N[C@H](CCl)[C@H]1CC=CCC1)c1cc(I)ccc1Br 2196158763 AXVKBDVPAOTAAB-IINYFYTJSA-N 468.560 4.747 50 10 JJGE CC1(C)CN(C(=O)c2cc(Cl)ccc2I)C[C@@H]1CCBr 2238463088 LENIBLDQRIEQGE-JTQLQIEISA-N 470.576 4.828 50 10 JJGE Cc1ccc(I)c(C(=O)N2CCCC[C@H]2CCCBr)c1 2240924752 MTQLPLSSEXHJJL-ZDUSSCGKSA-N 450.158 4.769 50 10 JJGE CC(C)(C)OC(=O)NCc1ccc(Cl)cc1NS(=O)(=O)CCC(CCl)CCl 2284000421 QRBBELKHTPVDDC-UHFFFAOYSA-N 459.823 4.590 50 10 JJGE O=C(NN=Cc1cccc(Cl)c1Cl)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293689658 CDHKGLVSKAWDMI-UHFFFAOYSA-N 482.323 4.643 50 10 JJGE O=C(NC(=CN1CCOCC1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 2297497907 GCGJZAYCYAEVNI-UHFFFAOYSA-O 493.567 4.542 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccccc2Cl)cc1 2313741170 SRCSOGGUOTXTLM-UHFFFAOYSA-N 459.999 4.648 50 10 JJGE CNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1 2314415020 UVKDZZRUROUDIC-UHFFFAOYSA-N 452.489 4.910 50 10 JJGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(OC)cc3)C2=O)cc1 2314593443 MYBJPTNCODWXFG-XMMPIXPASA-N 487.581 4.593 50 10 JJGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)C(C)=C(C#N)C1=O 2314618818 UVYWKISOOSJFDD-UHFFFAOYSA-N 480.568 4.785 50 10 JJGE CCS(=O)(=O)C[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2317423340 JHJNWZXENCOVKE-MRVPVSSYSA-N 466.992 4.530 50 10 JJGE CC(C)[C@@H]1C[C@H](Br)CN1C(=O)c1cc(Br)c(Br)s1 2321512872 XIXHUVLKTYXJDQ-CBAPKCEASA-N 460.029 4.907 50 10 JJGE COc1cc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1ccc(Cl)cc1Cl 2328794894 GOYVJZXTVOHHIG-AWEZNQCLSA-N 496.391 4.944 50 10 JJGE COc1cc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OCc1cccc(Cl)c1 2328799860 GAXOROHOYBUYKK-QFIPXVFZSA-N 490.000 4.927 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1C[C@H](S(C)(=O)=O)C1 2365228574 QRWCOKVDFPRZFH-LAEOZQHASA-N 493.030 4.918 50 10 JJGE CC[C@H](C)Oc1ccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 10292271 GLRVRIYWFQTRIE-HNNXBMFYSA-N 463.372 4.590 50 10 JJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccccc3OCCC(C)C)cc2)c1 14033693 OKZFOMQAXBWNGR-UHFFFAOYSA-N 459.546 4.747 50 10 JJGE Cc1ccc(OCC(=O)N/N=C/c2cccc(OCc3cccc(Br)c3)c2)cc1 20367947 CPMSCNOBDRPSJY-AFUMVMLFSA-N 453.336 4.866 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(Cl)cc2Cl)c1[N+](=O)[O-])c1ccc(Br)cc1 40650203 FJCNCRRMOZHEPQ-UHFFFAOYSA-N 498.124 4.955 50 10 JJGE N#CC(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)cc2Br)cc1 40987097 LOPDNLUPLXQLAM-UHFFFAOYSA-N 462.097 4.627 50 10 JJGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 101234657 AJFFADKKHPYPOB-QCUKBLKESA-N 470.407 4.879 50 10 JJGE CCC(CC)(CBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 136599563 WKKXZDPAVIBNHW-UHFFFAOYSA-N 492.071 4.752 50 10 JJGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\NCCc1cccc(Br)c1 217241247 ZZJQPSXPESAPOC-VLGSPTGOSA-N 470.367 4.584 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3sccc3C)n2-c2ccccc2)cc1 254396444 RVAGIYHXHBNCKZ-UHFFFAOYSA-N 463.588 4.555 50 10 JJGE COc1cc(/C=C2/CN(c3ccc(C)c(Cl)c3)C(=O)NC2=O)ccc1OCCBr 254566709 LNLPLVJTCOZLFA-DHDCSXOGSA-N 479.758 4.571 50 10 JJGE Fc1cc2c(cc1I)nc(CCCl)n2[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 398346214 GSDGYOLQVKYAPI-PBFBIOBFSA-N 495.767 4.864 50 10 JJGE C[C@H](SCc1ccccc1)C(=O)NN=C1C(=O)N(C/C=C/c2ccccc2)c2ccccc21 1084218657 SUCVEKIDCWIGKB-CZQKUJTPSA-N 455.583 4.889 50 10 JJGE Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(I)c2O)c1 1084583737 JYLPBQHSFOREER-SDQBBNPISA-N 483.103 4.613 50 10 JJGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746089 OZNXRBAVDGNQGX-UHFFFAOYSA-N 466.881 4.872 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1OC 1865694990 HGNZYXKVIISVFJ-IBGZPJMESA-N 488.441 4.715 50 10 JJGE CCCc1nn(CC)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697789 BXZOPXSHNZSOSA-SFHVURJKSA-N 475.387 4.632 50 10 JJGE CCC[C@H](NC(=O)Cc1nc(-c2ccccc2C)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866644642 ZVCDKZRVFDARKR-NRFANRHFSA-N 462.575 4.998 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1 1866938037 FTLHDQHZRVUQGL-HJOGWXRNSA-N 459.546 4.869 50 10 JJGE C[C@H](NC(=O)c1cc(Br)c(Br)s1)c1nnc(CBr)s1 1877557465 CXLAUMPCLJJZOF-BYPYZUCNSA-N 490.040 4.511 50 10 JJGE CC1(C)[C@@H](Br)C[C@@H]1Oc1cc(Br)cc(I)c1 1901016740 QYGPEHJXINGTSY-QWRGUYRKSA-N 459.947 4.995 50 10 JJGE CCn1cc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1CCl 1946825944 CTCMHYYJOVAVNW-UHFFFAOYSA-N 460.043 4.570 50 10 JJGE O=C(NCC1CCC(Br)CC1)c1c(Br)cccc1Br 2094088336 JUSDBODHHHIHMB-UHFFFAOYSA-N 454.000 4.895 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2Br)CC[C@@H]1CBr 2109032266 MKZDCHSRBCGUGX-NXEZZACHSA-N 454.000 4.705 50 10 JJGE CN(C[C@@H](Br)C1CCCCC1)C(=O)c1csc(I)c1 2111353477 LISXNHJVOXCDJB-GFCCVEGCSA-N 456.187 4.769 50 10 JJGE CCCn1cc(S(=O)(=O)N(Cc2ccccc2)CC(F)(F)F)cc1CBr 2123271550 RYPBCKPRGCDPTL-UHFFFAOYSA-N 453.324 4.546 50 10 JJGE CC(C)[C@H]1[C@H](Br)CCN1C(=O)c1c(Br)cccc1Br 2126091339 AJPKOWWUYIDHKI-YPMHNXCESA-N 454.000 4.846 50 10 JJGE CC1CC(CCl)(N(C)C(=O)c2ccc(Br)cc2I)C1 2142286388 ZZDGZAQHYYFUEK-UHFFFAOYSA-N 456.549 4.533 50 10 JJGE O=S(=O)(CCC(CCl)CCl)Nc1ccc(Cl)c(I)c1Cl 2160950033 UVVZOHKZFGDWOV-UHFFFAOYSA-N 491.005 4.824 50 10 JJGE O=C(NCC1CC2(CC(Cl)C2)C1)c1cc(I)ccc1Br 2164507333 KULXUFXHJLILPF-UHFFFAOYSA-N 468.560 4.581 50 10 JJGE Fc1cc(Br)cc(N2CC[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1CCl 2185506548 BQMQRDIYEXRRAF-NHCUHLMSSA-N 453.783 4.807 50 10 JJGE BrCC(CBr)(CC1COCCOC1)c1ccccc1Br 2187990652 FXGATKGXPUTANF-UHFFFAOYSA-N 471.027 4.530 50 10 JJGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCCC[C@@H]1CCCBr 2206666058 HNSOYKWBZXPQIE-SECBINFHSA-N 465.660 4.882 50 10 JJGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)Cc1ccc(Br)cc1 2213761108 QGSNBUHTQDCOKG-QGZVFWFLSA-N 475.246 4.955 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H](Br)CCC12CC2 2220270966 WOBJNAZXQWXMTD-ZETCQYMHSA-N 458.013 4.805 50 10 JJGE CCC[C@H](Br)c1cn(-c2ccc(Br)cc2I)nn1 2223625435 DPNDSFDZTMPHES-VIFPVBQESA-N 484.961 4.871 50 10 JJGE Cc1ccc(C(=O)N(C)[C@H]2CCCCC[C@@H]2Br)cc1I 2232832661 FLFGEWWWYRAPGV-ZFWWWQNUSA-N 450.158 4.768 50 10 JJGE Cc1sc([C@@H](Br)c2cnn(C)c2I)c(Br)c1C 2246389793 WSOHFQLLFKVHIW-VIFPVBQESA-N 490.002 4.950 50 10 JJGE CCn1c(SCC(=O)NN=CC=Cc2ccccc2OC)nnc1-c1ccc(Cl)cc1 2293746725 OYEOISOAJXLSKZ-UHFFFAOYSA-N 455.971 4.535 50 10 JJGE CCOCCCN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)cc2)C(C)=C(C#N)C1=O 2314617999 FOFYQXTVTJVQPV-UHFFFAOYSA-N 464.949 4.938 50 10 JJGE FC(F)(CI)C(F)(F)CNCc1ccc(Br)cc1Cl 2336534446 ORXBEMKBWJKSDU-UHFFFAOYSA-N 474.461 4.898 50 10 JJGE O=C(N[C@H]1CC[C@H](CBr)CC1)c1ccc(Cl)cc1I 2340056315 WQVZVOOOBVBGBF-HOMQSWHASA-N 456.549 4.628 50 10 JJGE COc1nc(OCc2ccc(I)c(Br)c2)c(CCl)s1 2350057601 IHLJSNJQQQMLSU-UHFFFAOYSA-N 474.545 4.837 50 10 JJGE C[C@]12C[C@H](C1)[C@H](CO[C@H](CI)c1ccc(Br)cc1)CO2 2366743747 GVYMCKKJKVUMGJ-XOUADPBQSA-N 451.142 4.757 50 10 JJGE C[C@@H]1[C@@H](Br)CCN(C(=O)Cc2cc(Br)cc(Br)c2)[C@@H]1C 2370659808 SETDQJNHGKPXMP-RBZYPMLTSA-N 468.027 4.775 50 10 JJGE O=C(CCCC(=O)OCCCc1ccccc1)NNC(=O)c1sc2ccccc2c1Cl 14016821 FVJQPMLBGHOBTR-UHFFFAOYSA-N 458.967 4.662 50 10 JJGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 33851635 CGJYXLIMDXYXDK-QPQMVVSWSA-N 457.530 4.568 50 10 JJGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)n1 40823308 QODVFSKIBZBACL-KNBZMSCYSA-N 494.367 4.533 50 10 JJGE Cc1cc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc(C)c1Cl 40929625 UPIKPGDINLVKRK-XDHOZWIPSA-N 464.905 4.758 50 10 JJGE CCCCCOc1ccccc1C(=O)N/N=C1\C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 59154040 VEPQXDZXSYJHIS-FVDSYPCUSA-N 486.528 4.845 50 10 JJGE O=c1[nH]c2ccc([C@@H](Br)c3ccc(I)c(Cl)c3)cc2o1 232343308 MVFWYSLKVUAINV-ZDUSSCGKSA-N 464.484 4.863 50 10 JJGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)o2)cc1 254607942 YGVHVYJIEGZYQQ-UHFFFAOYSA-N 493.519 4.742 50 10 JJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2cccc(OC)c2)cc1 254825314 WLDZMJUPTBSRQY-UHFFFAOYSA-N 454.482 4.840 50 10 JJGE O=C(N[C@H]1CCC[C@@H](CBr)C1)c1cc(Cl)ccc1I 311582434 IKJZCYBZYLNGOP-KOLCDFICSA-N 456.549 4.628 50 10 JJGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cnn(C)c1Br 379142478 BIIVJFZCYGMBOQ-GFCCVEGCSA-N 452.972 4.746 50 10 JJGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1 616604596 XALWYJZJSCVPBJ-HSZRJFAPSA-N 460.716 4.586 50 10 JJGE CC1(C)CC[C@@H](CCl)N(C(=O)c2cc(Br)ccc2I)C1 701596342 PSZDUBSPZCRWAZ-NSHDSACASA-N 470.576 4.923 50 10 JJGE C[C@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@@]1(C)CBr 703736559 VJMSVMFMXABGON-LKFCYVNXSA-N 454.000 4.705 50 10 JJGE C[C@@H](Cl)c1nc2cc(I)ccc2n1Cc1cc(Br)no1 718883196 CQZKCGPAMMJUPZ-SSDOTTSWSA-N 466.504 4.740 50 10 JJGE Cc1ccc(N(CC(=O)NN=Cc2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1Cl 1084196036 TWGGLVHFZRXUKA-UHFFFAOYSA-N 476.385 4.647 50 10 JJGE CCOC(=O)c1cccc(-n2c(C)cc(C=NNC(=O)CC[C@H](O)c3ccc(OCC)cc3)c2C)c1 1084230535 PICWJKZERDOSQQ-SANMLTNESA-N 491.588 4.633 50 10 JJGE Cc1cc([N+](=O)[O-])ccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 1614641304 JJEGNONYEFAUGS-VQIMIIECSA-N 480.302 4.690 50 10 JJGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1cccnc1)CCC2 1772747283 NVXAELNJORYHIC-UHFFFAOYSA-N 458.301 4.979 50 10 JJGE COc1cc(C=NNC(=O)COc2cccc3ccccc23)ccc1OCCc1ccccc1 1772753751 HBIZWCVDXFVVBA-UHFFFAOYSA-N 454.526 4.999 50 10 JJGE N#CSc1ccc(NC(=O)Nc2ncccc2OCC(=O)N2CCCc3ccccc32)cc1 1858832141 VHCMVCGQYRLSGA-UHFFFAOYSA-N 459.531 4.657 50 10 JJGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc1OC 1865695952 ATXLIOLVOLRLOQ-DEOSSOPVSA-N 462.525 4.785 50 10 JJGE CC[C@](C)(NC(=O)Cc1nc(-c2cccc(F)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866657678 DAYUVATXHPPYQB-DEOSSOPVSA-N 466.538 4.828 50 10 JJGE COc1ccccc1NCCC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866888690 WRGMXJWSOMVMNM-HSZRJFAPSA-N 492.576 4.576 50 10 JJGE O=S1(=O)CCC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923038722 KIDIBKVBFWXXSH-UJURSFKZSA-N 487.460 4.940 50 10 JJGE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCCSSCCNC(=O)OC(C)(C)C 1985349517 AFCLJBHXSJLWSB-SJORKVTESA-N 463.710 4.518 50 10 JJGE BrCC(CBr)(Cc1nncs1)c1ccc(Br)cc1 2066502589 BTQMMSIGSDILOY-UHFFFAOYSA-N 455.013 4.571 50 10 JJGE C[C@@H]1CN(C(=O)c2cccc(Br)c2Br)C[C@@]1(C)CBr 2092332799 JTCYLGNFGZWSCR-YMTOWFKASA-N 454.000 4.705 50 10 JJGE COc1cc(Cl)c([C@@H](Cl)c2cnn(C)c2I)cc1Br 2137636713 HPJYQUDAEJUCNS-LLVKDONJSA-N 475.939 4.777 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@H](CBr)C(F)(F)C1 2148752748 PPGFYLKSFOBGBW-MRVPVSSYSA-N 475.953 4.704 50 10 JJGE O=C(NCC[C@H]1CCCC[C@H]1Cl)c1ccc(I)c(Br)c1 2179629166 JUUAASWIJFQIAW-ZWNOBZJWSA-N 470.576 4.971 50 10 JJGE Cc1csc(CBr)c1S(=O)(=O)N(C)[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2179819348 KXJJRKDSHOVAGH-QFBILLFUSA-N 472.470 4.956 50 10 JJGE CCc1ccc(S(=O)(=O)N(C)[C@@H]2CC[C@@H]2OCc2ccccc2)cc1CBr 2179862581 YJGCYUHXYJJCTF-RTWAWAEBSA-N 452.414 4.512 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CCC[C@H](CCCCl)C1 2234187017 UKTCNMSIPCXORE-NSHDSACASA-N 470.576 4.925 50 10 JJGE CCCn1c(C)cc(C=C(C#N)C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1C 2297356619 PCJIYPBYPDWSQC-HNNXBMFYSA-N 458.902 4.554 50 10 JJGE CCCCN(CC)c1ccc([N+](=O)[O-])cc1C=NNC(=O)CNc1ccc(C)cc1Br 2297635478 OEQYZZZPYHQBMA-UHFFFAOYSA-N 490.402 4.854 50 10 JJGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c(C)c1 2313543532 IKCWJEJWIIEMFF-UHFFFAOYSA-N 457.486 4.653 50 10 JJGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C(C)C)c(C)c2)c(OCC)c1 2314735875 HSMIZTBGGXTZLF-UHFFFAOYSA-N 451.519 4.972 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(C)cc2)c(OC)c1 2314785979 YILCEKGOFWCQAH-UHFFFAOYSA-N 450.535 4.592 50 10 JJGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)CCCN3C(=O)c4ccccc4C3=O)c2)cc1OC 2320510779 CCUMJZQQQHYPKU-UHFFFAOYSA-N 496.519 4.750 50 10 JJGE O=S1(=O)C[C@@H]2CCC[C@]2([C@H](Br)c2sc(Cl)cc2I)C1 2338557249 UPDRKSMORIJMJH-BPTDKIDVSA-N 495.629 4.657 50 10 JJGE CC(C)[C@@H](Cl)C(C)(C)NC(=O)c1cc(I)ccc1Br 2340398808 NPHKAWOVPQPXRR-GFCCVEGCSA-N 458.565 4.826 50 10 JJGE C[C@@H]1Cc2cc([C@@H](Br)c3c(Br)ncn3C)cc(Br)c2O1 2362494069 MDXDXIBJIBGOJL-RDDDGLTNSA-N 464.983 4.753 50 10 JJGE CN(C[C@H]1C[C@@H](Br)C1)[C@](C)(C(=O)O)c1cc(Br)c(Br)s1 2378154971 MZIKGLKYFMHVGQ-DAROEXNTSA-N 490.055 4.678 50 10 JJGE O=C(CSCc1ccc(Cl)cc1)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 636736 AZCDZRAYTSMSSH-UHFFFAOYSA-N 467.978 4.741 50 10 JJGE aggregator CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1 38650653 FWQPGWYCDDTVGR-HHHXNRCGSA-N 470.525 4.986 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1 38685813 WSSCDTSMHKNLNL-RUZDIDTESA-N 476.916 4.941 50 10 JJGE O=C(NNC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1)c1ccc(F)cc1 39852358 IQVDBKWCIRKQSZ-UHFFFAOYSA-N 474.439 4.834 50 10 JJGE Cc1cc(N2C(=O)N=C(O)/C(=C\c3ccc(N(C)CCCl)cc3)C2=O)ccc1Br 59859673 JNFVXFUZDQOBPC-SFQUDFHCSA-N 476.758 4.939 50 10 JJGE COc1cc(/C=C(/C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC(F)F 96669413 BCOHIWPYKYFXDA-XGICHPGQSA-N 464.273 4.950 50 10 JJGE C[C@@H](Br)C(=O)Nc1c(Br)cc(Br)cc1Br 235076982 NGECVHWBAKDKMF-SCSAIBSYSA-N 464.777 4.696 50 10 JJGE COc1cc(C(C)=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)ccc1O 254573517 QYGFSVWJNWRWSA-UHFFFAOYSA-N 487.585 4.589 50 10 JJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc(OC)c(OC)c2)cc1 254797599 KIXCUNNOGXCRNI-UHFFFAOYSA-N 484.508 4.849 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccccc2Br)C1 382692994 UUIOJVBBLMXDFL-WCQYABFASA-N 466.157 4.835 50 10 JJGE Nc1cccc(Cl)c1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382704620 DZLABESXDHOPNH-HUUCEWRRSA-N 470.738 4.709 50 10 JJGE C[C@@H]1C[C@@H](CBr)CN(C(=O)c2cc(Br)cc(Br)c2)C1 398811523 PNDCSYNRFJLAFC-ZJUUUORDSA-N 454.000 4.705 50 10 JJGE C[C@@H]1C[C@@H](Br)CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 401605921 FOKZMRNPTXABFM-VXNVDRBHSA-N 466.022 4.550 50 10 JJGE C[C@@]1(CCl)CCCCN1C(=O)c1cc(I)ccc1Br 723003556 NWMGVUJDSURCDC-AWEZNQCLSA-N 456.549 4.677 50 10 JJGE CSc1ccc(NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1 853447300 DVOKASVLDHYVMU-CTBJKRMSSA-N 485.569 4.663 50 10 JJGE Cc1cc(C)nc(S[C@@H](C)C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)n1 1084467454 RRXIXUIKOQEXOK-KRWDZBQOSA-N 454.983 4.957 50 10 JJGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743683 IPDZSVITCMIICZ-UHFFFAOYSA-N 461.949 4.910 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)cc(Br)c1OC 1772753663 ASNFYGZZSSUGOZ-UHFFFAOYSA-N 469.335 4.662 50 10 JJGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865691979 GSRNUEOIKDBOGX-QFIPXVFZSA-N 464.953 4.773 50 10 JJGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1 1865693704 QFRMUKMNPYQLOA-GOSISDBHSA-N 470.451 4.576 50 10 JJGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 1865706568 ZPTNFMCQPLDCMT-JOCHJYFZSA-N 465.469 4.674 50 10 JJGE C[C@@H](Br)[C@H](NC(=O)c1c(Br)cccc1Br)C(F)(F)F 1882652172 NSTLCEMGWUWJQI-ANLVUFKYSA-N 467.905 4.656 50 10 JJGE O=S1(=O)CC([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 1899875559 XUHJLXQEXDOCEN-KRWDZBQOSA-N 460.187 4.509 50 10 JJGE COc1cc(C)c([C@@H](Br)c2c(Br)cnn2C)cc1Br 1901694861 AEURBOZJKXZFSH-GFCCVEGCSA-N 452.972 4.746 50 10 JJGE Brc1cc(CO[C@@H]2CCC[C@@H]2Br)ccc1I 1904374643 VHAGJKCIAZBIND-JOYOIKCWSA-N 459.947 4.886 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C 2010828960 OHYBSTGAWVBIEO-ZACQAIPSSA-N 475.721 4.516 50 10 JJGE COc1ccc(C=CC(=O)OCc2csc(N(N=Cc3ccc(C)cc3)C(C)=O)n2)cc1OC 2040419436 DAAMQQFLXPAWLE-UHFFFAOYSA-N 479.558 4.612 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC2(CC2)C[C@H]1CBr 2099155289 QUJQZPYKESDBPT-LBPRGKRZSA-N 451.984 4.601 50 10 JJGE COc1ccc([C@@H](Br)c2nn(C)c(Br)c2C)c(Br)c1 2111927126 UTKJFXOWVCRBCW-LLVKDONJSA-N 452.972 4.746 50 10 JJGE BrCc1ccc(N2CC[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c(Br)c1 2129051255 GGMULXKBTGQRSU-NHCUHLMSSA-N 480.244 4.824 50 10 JJGE CCN(c1ncc(I)cc1Br)[C@H]1CCC[C@@H]1Br 2212907588 ZRCQTTQDFISRPQ-ONGXEEELSA-N 473.978 4.591 50 10 JJGE C[C@H]1[C@@H](Br)C[C@@H](C)CN1C(=O)c1cc(Cl)ccc1I 2227595837 XJRGLPAOLTVRHI-PTRXPTGYSA-N 456.549 4.579 50 10 JJGE Cc1ccc(C(=O)N2CC[C@@H](Br)[C@H]2C(C)(C)C)cc1I 2232839193 QXXUMXGTSXJLGT-OCCSQVGLSA-N 450.158 4.624 50 10 JJGE CC(C)(C)[C@@H](CBr)NCc1ccc(I)c(Br)c1 2306223628 HQTKWIDWNMQVGQ-GFCCVEGCSA-N 475.006 4.953 50 10 JJGE Cc1ccc(CN(C)C[C@@H](Br)COCc2ccccc2)c(O)c1Br 2307477796 PYQOLRTYXOCNLP-QGZVFWFLSA-N 457.206 4.875 50 10 JJGE COc1cc(C=C(C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc(I)cc1 2313567168 COEBQUOWRSPASH-UHFFFAOYSA-N 496.732 4.527 50 10 JJGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(F)cc4)cs3)CC2=O)cc1 2331343540 AKLLMAMUPCAWNL-QGZVFWFLSA-N 477.517 4.972 50 10 JJGE CC(C)Cn1c(CBr)nnc1-c1ccc(Cl)cc1I 2340029587 OUMZIOPFFLWHGV-UHFFFAOYSA-N 454.537 4.754 50 10 JJGE COc1cc(C=NNC(=O)c2cccs2)ccc1OCc1ccc(I)cc1 8860808 UUCAROUZNDNAIQ-UHFFFAOYSA-N 492.338 4.704 50 10 JJGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)C)c1 9231622 UPAPPJGOVUDZPW-UHFFFAOYSA-N 477.399 4.610 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCC(C)C)c2)cc1 10283924 MIZYMKGPBJHUAR-UHFFFAOYSA-N 471.623 4.630 50 10 JJGE CCc1ccc(OCC(=O)NNC(=O)c2sc3ccccc3c2Cl)c(Br)c1 13977629 RWXWZVVEWOEQTB-UHFFFAOYSA-N 467.772 4.720 50 10 JJGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c1 35446765 IHXDUEFPEFGDJB-INRNSKLFSA-N 470.573 4.920 50 10 JJGE O=C(NNc1ncnc(Oc2cccc3ccccc23)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40583527 AMVCIDJEPATFJH-UHFFFAOYSA-N 480.824 4.649 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)CCC3)c(C)c1 40812987 ZSOOKMCMNGDNPP-NHFJDJAPSA-N 460.490 4.836 50 10 JJGE COc1cccc(C(=O)N/N=C/c2ccc(Sc3nc4ccccc4c(=O)n3-c3ccccc3)o2)c1 59392331 ZJSBGEHUTQOKET-OGLMXYFKSA-N 496.548 4.902 50 10 JJGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(OC)cc1 101241692 JYUVREGOIZUGFU-MCIDSYJDSA-N 488.396 4.730 50 10 JJGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C1=O 214225166 LXPHKHZXIYQGAU-HAHDFKILSA-N 494.551 4.703 50 10 JJGE O=C(NN=Cc1cc(Cl)ccc1OCc1ccc(Br)cc1)c1cc(O)ccc1O 254523715 SHHJJDMYRYRLEJ-UHFFFAOYSA-N 475.726 4.857 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(F)cc3)cc2OCC)cc1 254855301 MPRGUNXGCQAMJF-UHFFFAOYSA-N 464.493 4.996 50 10 JJGE O=C(NC[C@H]1CCC[C@@H](CCl)C1)c1cc(Br)ccc1I 312245928 DOAADDFPCJTGQO-MNOVXSKESA-N 470.576 4.829 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(Cl)nc2)[C@@H](CI)C1 382721716 NSSHRMYNKDEEOE-JKSUJKDBSA-N 456.711 4.522 50 10 JJGE BrCc1ccc(N2CC[C@@]3(CN(Cc4ccccc4)CCO3)C2)cc1Br 717593676 PFBOKDXUMLWFDG-OAQYLSRUSA-N 480.244 4.825 50 10 JJGE CCOc1ccccc1[C@@H](CC)NC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 726267885 GUCAYXCATAUDOI-JOCHJYFZSA-N 465.525 4.899 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c(-c2ccc(Cl)cc2)n1 842532885 HRBDUGCHVQWQMO-QAHUDSGCSA-N 499.018 4.977 50 10 JJGE N#C/C(=C\c1ccc(O)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084010373 OBIAOGUXPYCZNE-UXBLZVDNSA-N 459.070 4.849 50 10 JJGE O=C(CSc1nc2ccccc2[nH]1)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 1084458231 ODWNPKAPTNTSER-UHFFFAOYSA-N 491.576 4.876 50 10 JJGE C=C(CBr)CN[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OCC)cc1 1171882545 WSZLLFKMHITYLZ-PMACEKPBSA-N 453.421 4.719 50 10 JJGE COc1ccc(CC(=O)Oc2ccc(/C=C(\C#N)c3ccc(OC)c(OC)c3)cc2OC)cc1OC 1615065966 BOVIAADEWPJHJI-CIAFOILYSA-N 489.524 4.942 50 10 JJGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccccc1C(=O)O)C(C#N)=C(N)O2 1865704020 KYSDSMUMHBRSBQ-HSZRJFAPSA-N 450.498 4.894 50 10 JJGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@H](C)C2CCCC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867017197 JUKAQELXCMBIKU-OSPHWJPCSA-N 479.602 4.677 50 10 JJGE COc1c(Br)c(/C(O)=C(\C#N)c2nc(C)cs2)c(Br)c(OC)c1OC 1872757584 MTRSFYBQAKUYDT-WQLSENKSSA-N 490.173 4.952 50 10 JJGE COc1cc(-n2nc(CCl)c(I)c2C(F)(F)F)nc(C(F)(F)F)c1 2078888809 FTJSTAWPZNSBET-UHFFFAOYSA-N 485.553 4.657 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCc2cccc3ccccc23)C1 2084569104 RYEYBDHUMIPVMT-ZWKOTPCHSA-N 453.320 4.779 50 10 JJGE CCC[C@H](Br)CCNC(=O)c1ccc(Br)cc1I 2086146421 ZMDHQTLJASPAOC-VIFPVBQESA-N 488.989 4.737 50 10 JJGE C[C@H](NC(=O)c1ccc(I)c(Br)c1)[C@H]1CCC[C@H]1Cl 2111546656 MHIRIECHVZFSDO-MKPLZMMCSA-N 456.549 4.580 50 10 JJGE O=C(NC[C@H](Br)CC(F)(F)F)c1c(Br)cccc1Br 2119065550 DVGPWTWZJLIKPJ-ZCFIWIBFSA-N 467.905 4.657 50 10 JJGE O=C(N[C@@H]1CCC[C@H](CCl)C1)c1ccc(Br)cc1I 2142284840 IJZMQNNNKQMAGY-GXSJLCMTSA-N 456.549 4.581 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC2(CC[C@H]1CBr)CC2 2154165217 ALVKTMYBLHBOTQ-NSHDSACASA-N 466.011 4.991 50 10 JJGE CC1(C)C[C@](C)(CCl)CN1C(=O)c1cc(I)ccc1Br 2199537507 CFWPSBSKLDFIRA-OAHLLOKOSA-N 470.576 4.923 50 10 JJGE Fc1cnc2c(c1)nc(CCl)n2-c1ccc(Br)cc1I 2240008124 WKNQDJJGFHDCLA-UHFFFAOYSA-N 466.479 4.666 50 10 JJGE C=CCOc1ccc(C=C(C#N)C(=O)Nc2ccc(CC)cc2)cc1I 2294147033 ZRWDCQMELIUMRF-UHFFFAOYSA-N 458.299 4.964 50 10 JJGE CC(C)(CI)CN1CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC1 2306818755 NOVCOXYJMLFDNH-UHFFFAOYSA-N 452.421 4.711 50 10 JJGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1ccccc1Br 2325409361 FDRZEBFDVCFJBQ-UHFFFAOYSA-N 482.119 4.820 50 10 JJGE Cc1ccc(-c2csc3ncn(CC(=O)NN=Cc4cccc(Cl)c4Cl)c(=O)c23)cc1 2325904597 DWAJYISCZMPXJQ-UHFFFAOYSA-N 471.369 4.891 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN=Cc1ccc(OCc2c(F)cccc2Cl)cc1 2328829491 QSFZDZCVJNZAFN-NRFANRHFSA-N 475.948 4.908 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@H]2C[C@H](Br)CC[C@H]21 2353991239 OXWKIUIKEFHXLF-OPQQBVKSSA-N 466.011 4.990 50 10 JJGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)Nc1ccc(Cl)cc1CCl 2364205411 LCJWGVQILNTOCP-UHFFFAOYSA-N 469.390 4.677 50 10 JJGE O=C(c1csc(I)c1)N1CC[C@H](C2CCC(Br)CC2)C1 2381280773 KPNZFYZTIHWOLC-AKJDGMEZSA-N 468.198 4.769 50 10 JJGE CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N/N=C/C(Cl)=C\c2ccccc2)cc1 6146283 CRXQFUIMKMKYAK-NESOBDLWSA-N 483.977 4.882 50 10 JJGE O=C(c1ccc(N2C(=O)CCC2=O)cc1)N(/N=C/c1ccccc1)c1nc2ccc(F)cc2s1 9148733 VHIRAEGHGGFQBY-JFLMPSFJSA-N 472.501 4.770 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1OC 38658335 LOCJJWZQPGWPFM-QHCPKHFHSA-N 462.889 4.795 50 10 JJGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1 38677256 OJWTXMVKFMFLSO-CPJLOUKISA-N 458.489 4.979 50 10 JJGE CC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2ccc(C(=O)O)cc2)c(Br)c1 40951464 LREDOQKPMDNIMN-ZVHZXABRSA-N 461.356 4.754 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C)cc2C)c(OC)c1 40990680 KDATWRVHOSLGKW-CJLVFECKSA-N 464.562 4.900 50 10 JJGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccccc1Cl 58889663 PHBMWYJBAILLIL-VPZZRGLESA-N 452.938 4.892 50 10 JJGE O=C(NN=C1C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21)c1ccccc1 254485088 DOFHQABCXZDTCR-UHFFFAOYSA-N 474.564 4.827 50 10 JJGE CCOc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)c1O 254625956 GIUNKSQMKWKHEP-UHFFFAOYSA-N 487.585 4.589 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(Br)c(F)c2)[C@@H](CI)C1 382711952 ZIRHDQYQKOLICR-NWDGAFQWSA-N 484.147 4.974 50 10 JJGE Cc1cccc(C(=O)NC[C@H]2CCC[C@H](CBr)C2)c1I 383666553 SALIAPGUKDLUCL-STQMWFEESA-N 450.158 4.531 50 10 JJGE N#CSc1ccc(NC(=O)Nc2cccc(C(=O)NCCc3nc4ccccc4[nH]3)c2)cc1 586732469 BDWDGGFADIMVKP-UHFFFAOYSA-N 456.531 4.753 50 10 JJGE Cc1c(Br)cncc1-n1c(CCl)nc2cc(I)ccc21 722724136 JGBNTKYLFNTKDB-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1C#N 725412939 LVAIALKXQKEBHC-QHCPKHFHSA-N 477.948 4.763 50 10 JJGE O=C(O)c1ccc(-c2ccc(C=NNC(=O)c3cc4cc(Br)ccc4o3)o2)cc1 1082936825 ZKJCNWCTUXXVKJ-UHFFFAOYSA-N 453.248 4.917 50 10 JJGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1C 1084626725 HABQSNSHMYAMQP-UHFFFAOYSA-N 469.994 4.687 50 10 JJGE CC(=O)c1ccc(OCCCC(=O)NNC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)cc1 1624158435 ZPVVNUOBQLIWRD-IBGZPJMESA-N 456.608 4.722 50 10 JJGE C#CCC1(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)CCOCC1 1626209431 IICDAONIMMLFDE-CPNJWEJPSA-N 456.373 4.997 50 10 JJGE CCCCN1C(=O)C(=NNC(=O)CCCOc2ccc(Cl)cc2Cl)c2cc(OC)ccc21 1772720192 FNYBVLLXTPHWAO-UHFFFAOYSA-N 478.376 4.828 50 10 JJGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)c1C 1772747642 RNQBQZOYUPBNEN-UHFFFAOYSA-N 474.517 4.765 50 10 JJGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)cc1OCC 1865687094 JHHNTWYYVIUCNU-KRWDZBQOSA-N 450.461 4.718 50 10 JJGE N#C/C(=C\c1cccc(Br)c1)C(=O)NCCc1cccc(Br)c1F 1866130652 FYGPUNRUNWJDQJ-NTEUORMPSA-N 452.121 4.617 50 10 JJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C[C@H]2CC(=O)c3ccccc32)cc1 1867234120 DDBCJVNUGIGPOH-HOYKHHGWSA-N 487.556 4.825 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1 1872745788 CNPGACVLHDNKDL-PYCFMQQDSA-N 464.503 4.513 50 10 JJGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)cs1 1915768056 GUGLLPVPMWLMOX-UHFFFAOYSA-N 467.248 4.875 50 10 JJGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1ccc(Br)c(F)c1 1916383103 CPPIUISDMDGROI-HNNXBMFYSA-N 459.153 4.641 50 10 JJGE C[C@@](CBr)(NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C1CC1 2146581215 AHXBSEIXKUBDKG-LBPRGKRZSA-N 466.022 4.598 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1[C@H](CBr)C[C@H]2CCC[C@@H]21 2164656993 SIHUUGUANRHXKT-IIMNLJJBSA-N 466.011 4.990 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NCc2ccc(CBr)cc2)C1(C)C 2182855391 PTUGHVOBYKHPEP-CBZJRKILSA-N 459.450 4.873 50 10 JJGE Cc1ccc(I)c(C(=O)N2CCC[C@@H](CCCBr)C2)c1 2240926504 VJHDKBKEMQRZGQ-CYBMUJFWSA-N 450.158 4.627 50 10 JJGE COc1ccc([C@@H](Br)C(F)(F)C2(OC)CCC2)cc1I 2284997274 FMELXZCSJLGOQS-GFCCVEGCSA-N 461.084 4.940 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1[C@H]2CC[C@H]1[C@@H](CBr)C2 2295306798 AYWQCWGUOSDDMJ-SWHYSGLUSA-N 466.011 4.529 50 10 JJGE CCOCCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)C(C)=C(C#N)C1=O 2314618000 FOMBUZGDCVMDDF-UHFFFAOYSA-N 464.949 4.938 50 10 JJGE COc1cc(C=C(C#N)c2ccccc2F)ccc1OC(=O)CCCN1C(=O)c2ccccc2C1=O 2320506588 MRJVDVWSNOJBGZ-UHFFFAOYSA-N 484.483 4.880 50 10 JJGE CC(=O)c1cccc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 2324603041 ZKWSHNLBTCKTMF-UHFFFAOYSA-N 464.569 4.642 50 10 JJGE COc1cc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)cc(OC)c1OCc1ccccc1 2328835306 LHLPYYDVSSDZLE-UHFFFAOYSA-N 499.608 4.818 50 10 JJGE CC1(C)CC(CBr)(CN2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)C1 2371132903 IFYMSFHULWUCHR-UONOGXRCSA-N 457.375 4.823 50 10 JJGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc([C@@H](C)CC)cc1 14652797 ZQNTYUQQJANKCG-HNNXBMFYSA-N 463.372 4.591 50 10 JJGE CCC1=C(C(=O)OC)[C@H](c2cccc(NC(=O)C(C)(C)CCl)c2)N2CCCSC2=N1 16613780 JBOKPDGDYMSVDR-SFHVURJKSA-N 450.004 4.577 50 10 JJGE COc1ccc(CCNC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)nc2-c2ccccc2)cc1OC 32752660 HXLPASAFYJYPBO-XIEYBQDHSA-N 492.579 4.881 50 10 JJGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(C)c3)ccc21 38681528 XDTSGHAJUMJVDZ-HHHXNRCGSA-N 470.525 4.986 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)nc1 40813493 AYNYPXXQEGVVIA-JVWAILMASA-N 481.896 4.576 50 10 JJGE Cn1c(=O)n(C)c2cc([C@H](Cl)c3cc(Br)c(Br)s3)ccc21 128559754 MBCCTDXWQYPRSF-LBPRGKRZSA-N 450.583 4.792 50 10 JJGE CCOc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccccc1 254315830 CHUHYIKRSUVHLR-UHFFFAOYSA-N 494.547 4.691 50 10 JJGE COc1cc(C=NNC(=O)c2ccc3c(c2)CN(c2cccc(C(F)(F)F)c2)C3)ccc1O 254383933 DKTGUWSNQRGHTF-UHFFFAOYSA-N 455.436 4.704 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3cccs3)n2-c2ccc(OC)cc2)cc1 254746025 RWYXNJYWHRQHTL-UHFFFAOYSA-N 493.614 4.646 50 10 JJGE BrCc1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1Br 705935750 VLVVANKVMQCSIH-HDICACEKSA-N 450.218 4.912 50 10 JJGE COc1cc(C=NNC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCc1c(Cl)cccc1Cl 1084320874 DUWXVVQSBZSCKI-UHFFFAOYSA-N 490.318 4.809 50 10 JJGE O=C(COc1ccc(Br)cc1)NN=Cc1cn(Cc2ccccc2)c2ccccc12 1772753164 OVFSYVFTLKAVHY-UHFFFAOYSA-N 462.347 4.981 50 10 JJGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3C)cc1OC 1865693465 WANOBZGPEUEDQO-SFHVURJKSA-N 475.387 4.541 50 10 JJGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1Cl 1872756184 FOLUQYRCQSKVMV-SOFNNGJSSA-N 495.944 4.958 50 10 JJGE C[C@H](NC(=O)c1csc(Br)c1Br)c1nnc(CBr)s1 1877549844 URATUANOQSNGTM-BYPYZUCNSA-N 490.040 4.511 50 10 JJGE N#CC(=Cc1cccc(OCc2ccccc2)c1)c1nnc(N2CCOCC2)n1-c1ccccc1 2040448452 SKVCPLSAOQLFIO-UHFFFAOYSA-N 463.541 4.747 50 10 JJGE CC(C)[C@@H](Br)c1cn(-c2cc(I)ccc2Br)nn1 2057428866 HQNVDIWWAWLJOV-GFCCVEGCSA-N 484.961 4.726 50 10 JJGE C[C@@H](Br)C12CCC(CC1)N2c1ncc(I)cc1Br 2069533440 HUHJISWHNQBZHI-NCZMNARYSA-N 485.989 4.734 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NC[C@@H](CBr)C(C)(C)C)C1(C)C 2106788411 PKKSACBCBPNMSL-JZXAWVDUSA-N 453.487 4.835 50 10 JJGE CC1(C)C[C@@H](CCl)CN1C(=O)c1cc(I)ccc1Br 2127831385 YKBLKNNDEKKRAK-VIFPVBQESA-N 456.549 4.533 50 10 JJGE Br[C@@H](C[C@H]1CCCOCC1)c1cc(I)cc2c1OCC2 2145485209 WJXGYCMCDRZDGO-NHYWBVRUSA-N 451.142 4.869 50 10 JJGE C[C@H]1CN(c2ncc(C(F)(F)F)cc2I)CC[C@@H]1CBr 2165344544 PFFWVPIMVAJKBP-DTWKUNHWSA-N 463.079 4.562 50 10 JJGE C[C@H](CCCCCI)NS(=O)(=O)c1cc(Cl)ccc1Cl 2174525989 GEDCYRGJBKZURP-SNVBAGLBSA-N 450.169 4.656 50 10 JJGE Cc1cc(Br)sc1CN(C)S(=O)(=O)c1ccc(CBr)s1 2179823641 LTFKMJGGUZXHDP-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE CC(C)(C)OC(=O)N(CC(F)F)[C@@H]1CCCN(CCCCCI)C1 2214704488 FHKIUHYMKWQOGF-CQSZACIVSA-N 460.347 4.558 50 10 JJGE COCCN(C)C[C@H](Cl)Cc1sc(Br)c(Br)c1Br 2222447520 FIOGHZILBQHKSW-SSDOTTSWSA-N 484.479 4.764 50 10 JJGE C[C@@H]1C[C@@H](Cl)[C@@H](C)N(C(=O)c2ccc(I)c(Br)c2)C1 2227600915 ODYIMDWNGINSPS-KBVBSXBZSA-N 456.549 4.532 50 10 JJGE Cc1ccc(-n2c(CCl)nc3cc(Br)cnc32)c(I)c1 2240489846 ODCMZOBXWWSWRF-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE CS(=O)(=O)[C@H]1C[C@H]([C@H](Br)c2cc(Br)sc2Br)C1 2249068541 NGRBZNNGBKZJNX-WATHFIQWSA-N 467.042 4.532 50 10 JJGE CC(C)C[C@@H](Br)CNC(=O)Cc1cc(Br)cc(Br)c1 2277933649 WUKUMQMCOYUBQE-CYBMUJFWSA-N 456.016 4.680 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H](Br)CCC12CCC2 2283662285 JBKBQLMJRJWKTP-NSHDSACASA-N 468.560 4.867 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H](CBr)C1CCCC1 2295315877 RBCKSWNJZOJWFA-CQSZACIVSA-N 468.027 4.824 50 10 JJGE C[C@@H](NC(=O)C(C#N)=C1NC(=NC(=O)c2cccc(Br)c2)c2ccccc21)c1ccccc1 2296842935 DUBMQUWLICNPTH-MRXNPFEDSA-N 499.368 4.751 50 10 JJGE Cc1cccc(NC(=O)C(C#N)=Cc2c(Oc3cccc(C)c3)nc3c(C)cccn3c2=O)c1 2314531716 DJAGEYCJXMCPAR-UHFFFAOYSA-N 450.498 4.958 50 10 JJGE COc1cc(C=C(C#N)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 2318356303 NUHWSOCTMFREQQ-UHFFFAOYSA-N 496.972 4.882 50 10 JJGE Brc1cc(CN2CC[C@H](Br)C23CCC3)ccc1I 2325217808 IFQQYIPXKXNDCX-ZDUSSCGKSA-N 485.001 4.946 50 10 JJGE COc1ccccc1N1CCN(C=C(C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 2325384900 RHTKRMKUUZIJQB-UHFFFAOYSA-N 464.875 4.536 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](OCC2CCC(C(F)(F)F)CC2)[C@H](I)C1 2327996753 RJDOKAIYFCKEOD-PQAZSJQKSA-N 477.305 4.795 50 10 JJGE CC1(C[S@](C)(=O)=NC[C@@](C)(CBr)C(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2352084680 UOTUALITJVWRLM-BCHFMIIMSA-N 453.487 4.789 50 10 JJGE COC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 1904519 LSEIHLPIOWFQJJ-TZOKSIDISA-N 499.519 4.982 50 10 JJGE COc1cc(-c2cc(C(=O)NN=Cc3ccc(F)cc3)n[nH]2)ccc1OCc1ccc(C)cc1 2376381 WHJHBBNLTSAHMQ-UHFFFAOYSA-N 458.493 4.876 50 10 JJGE C=CCn1c(SCC(=O)N/N=C/c2ccc(O)cc2)nc2scc(-c3ccc(C)cc3)c2c1=O 8950469 PMVVKYVUHQZYBX-LGJNPRDNSA-N 490.610 4.567 50 10 JJGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1 38197982 UCYAGGZJJZUNRZ-QQTULTPQSA-N 478.017 4.886 50 10 JJGE COc1ccccc1C(=O)NNC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 39852363 MUTRXYWINIRMNV-UHFFFAOYSA-N 486.475 4.703 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(Cl)cc2Cl)c1[N+](=O)[O-])c1cccc(Cl)c1 40650212 BWPOAELUNKYHJS-UHFFFAOYSA-N 453.673 4.846 50 10 JJGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 102392663 LUEWXARNPMWZHP-OYKKKHCWSA-N 466.541 4.857 50 10 JJGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1 103983548 QGEXKDQVHNZTJS-ZROIWOOFSA-N 453.539 4.548 50 10 JJGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\NCc1cccc(Br)c1 217241215 NJYBQQRYNFUOJQ-ICFOKQHNSA-N 456.340 4.542 50 10 JJGE O=C(NN=Cc1cc(Br)ccc1O)/C(=C/c1ccccc1)NC(=O)c1ccccc1Cl 252621902 NJONNBOIFGQGPQ-QQAXUXLISA-N 498.764 4.729 50 10 JJGE CC[C@H](Br)[C@@H](CC)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 313115790 OEXOPEYSVBCQBD-GZMMTYOYSA-N 468.038 4.986 50 10 JJGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CNCCN1S(=O)(=O)c1ccccc1 616639457 NVNDZMXIUHVFSU-HSZRJFAPSA-N 460.716 4.586 50 10 JJGE COc1cc(C=NNC(=O)Cc2ccccc2)cc(Br)c1OCc1ccccc1 1084053409 OREAHBGQVFUMNO-UHFFFAOYSA-N 453.336 4.730 50 10 JJGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=Cc1cccc2ccccc12 1084326310 WAELXLRMUZKGSB-UHFFFAOYSA-N 470.602 4.780 50 10 JJGE Cc1ccc([N+](=O)[O-])c([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1 1614636560 JVKIGYNPZJFRSB-WMZOPIPTSA-N 480.302 4.690 50 10 JJGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)c1O 1865695796 HKKZQYLGWJLKIZ-GOSISDBHSA-N 487.741 4.529 50 10 JJGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc3c(c2)OCCO3)cc1 1865698502 VPXCMPKHWIWBDF-DEOSSOPVSA-N 478.508 4.537 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc(Cl)c1O 1865706669 CCJHEADBVSUONJ-LJQANCHMSA-N 450.926 4.792 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(C(=O)O)cc1 1865709055 MPDZXPXJAFJGKD-LJQANCHMSA-N 476.414 4.961 50 10 JJGE Cc1ccc(OCc2nc(CC(=O)NC(C)(C)C(=O)Nc3ccc(SC#N)cc3)cs2)cc1 1866584121 OHKZSXAGOCREAG-UHFFFAOYSA-N 480.615 4.680 50 10 JJGE CCN(C[C@](C)(CI)O[C@@H]1COC2(CCCCC2)C1)C(=O)OC(C)(C)C 1879028820 GPNZBDXMGNVYRI-LPHOPBHVSA-N 481.415 4.946 50 10 JJGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@H]1C[C@H](Br)C1 1888845511 KVQFNJOMPZWUMW-SEPYTNNBSA-N 485.422 4.936 50 10 JJGE CN(C1CC(OCc2ccccc2)C1)S(=O)(=O)c1cc(CCl)sc1Br 2038805527 ZRQYPTXYIYZMFG-UHFFFAOYSA-N 464.834 4.618 50 10 JJGE O=C(CBr)c1ccc(Br)c(I)c1C(F)(F)F 2054936135 BOUUSDZZWXOAMU-UHFFFAOYSA-N 471.836 4.650 50 10 JJGE C=CC[C@](C)(CBr)CNC(=O)c1cc(Br)c(Br)s1 2082050492 SDMYXVMPXJHMNT-GFCCVEGCSA-N 460.029 4.980 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NC[C@@H](CBr)CC2CC2)C1(C)C 2112868653 LTLVNTMEHHTFHA-YQHYCNIYSA-N 451.471 4.589 50 10 JJGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)N1CCC[C@@H](CBr)C1 2123242816 BGCONDHMHBNEID-AEFFLSMTSA-N 457.459 4.663 50 10 JJGE ClC[C@H]1CCC2(CCC2)CN1c1ncc(I)cc1Br 2133381414 HJARDSMQWAFEBK-LLVKDONJSA-N 455.565 4.827 50 10 JJGE CC(C)CN1C[C@H](Cc2ccc(I)c(Cl)c2)[C@@H](Br)C1 2142936566 JSBMMJYVKBWVGN-STQMWFEESA-N 456.593 4.838 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2[C@H](Br)CCC[C@H]2C1 2150958248 LBQDGWZXQHORNH-ZWKOPEQDSA-N 466.011 4.847 50 10 JJGE CN(C(=O)c1ccc(I)c(Br)c1)C1(CCl)CC(C)(C)C1 2164568510 MGWKYYSATMZLQR-UHFFFAOYSA-N 470.576 4.923 50 10 JJGE C[C@@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)c(Cl)c1 2197757579 UMMSHOXOOMWUTO-FQEVSTJZSA-N 472.832 4.995 50 10 JJGE O=C(NC[C@]12CCC[C@]1(CCl)C2)c1ccc(Br)cc1I 2208036417 NDHJHKWGFVZKKW-HUUCEWRRSA-N 468.560 4.583 50 10 JJGE CN(C(=O)c1scc(Br)c1Br)[C@H](CBr)CC1CC1 2219026465 BLHVWUNWMXDXNY-QMMMGPOBSA-N 460.029 4.909 50 10 JJGE C[C@H](Cl)c1nc2cc(Br)cnc2n1C[C@H]1CC1(Br)Br 2224803879 IKIIEKXBTUZHJU-NKWVEPMBSA-N 472.406 5.000 50 10 JJGE Cc1ccc(C(=O)N2CCC[C@H]2C(C)(C)CBr)cc1I 2232825255 FQRHQCWBXVZLMS-AWEZNQCLSA-N 450.158 4.625 50 10 JJGE COc1ccc([C@@H](Br)c2ccc(F)cc2OC)cc1I 2285017133 YXSUCKWLRLOJTB-OAHLLOKOSA-N 451.073 4.932 50 10 JJGE CCCCCCNC(=O)C(C#N)=C1NC(=NC(=O)c2cccc(Br)c2)c2ccccc21 2296843003 YDSDCWMMDOSLEJ-UHFFFAOYSA-N 479.378 4.570 50 10 JJGE C[C@@H]1OCC[C@@]1(CBr)Cc1ccc(I)c(Br)c1 2306232454 VANDJJXLGDBXTD-ZANVPECISA-N 473.974 4.786 50 10 JJGE CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc1OC 2313518107 JKOREBUJNJOJFJ-UHFFFAOYSA-N 476.314 4.861 50 10 JJGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3ccccc3Cl)c(Oc3ccccc3)nc12 2314534049 WYFJYPRSCYYBRG-UHFFFAOYSA-N 456.889 4.994 50 10 JJGE N#CC(=C(O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccccc2Cl)cs1 2331271491 QGXYMGBPIVIVGM-UHFFFAOYSA-N 480.889 4.851 50 10 JJGE Cc1ccc(C(=O)NNC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1Br 12490362 NSZDDRQJRQGTAC-UHFFFAOYSA-N 498.215 4.792 50 10 JJGE C/C(=N\NC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccc(N)cc1 12491490 FRGHHHVTZBRWIB-WYMPLXKRSA-N 491.183 4.866 50 10 JJGE O=C(NNC(=O)c1ccccc1F)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 39852361 ROCIZRNULWKBEA-UHFFFAOYSA-N 474.439 4.834 50 10 JJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C(C)(C)C)cc2)c(OCC)c1 40867295 QBUFAAZWXSWGPW-XMHGGMMESA-N 451.519 4.837 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3cccc(C)c3)c(OC)c2)cc1 58893245 KKNXJBMNIUJDTQ-CIGKTAFOSA-N 476.573 4.945 50 10 JJGE COc1cc(Cl)c(/C=N/NC(=O)COc2ccc3ccccc3c2Br)cc1OC 66202178 UOCYRSCFTFHOSE-BHGWPJFGSA-N 477.742 4.802 50 10 JJGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 101336341 XZBMZTAIUDLTPN-HZHRSRAPSA-N 462.521 4.812 50 10 JJGE COc1cc(C=NNC(=O)c2cc3ccccc3cc2O)ccc1OC(=O)/C=C/c1ccccc1 254482047 BQALRXCDERLKDI-CTIMDEJBSA-N 466.493 4.937 50 10 JJGE C[C@H](Cl)C[C@@H]1CCCN1C(=O)c1cc(I)ccc1Br 312011471 RVJAYKSMRGGTPP-ONGXEEELSA-N 456.549 4.676 50 10 JJGE FC(F)(F)c1cnc(N2CCC(CCBr)CC2)c(I)c1 686107788 AREBFZTXPLLGGN-UHFFFAOYSA-N 463.079 4.706 50 10 JJGE C[C@H]1CN(C(=O)c2scc(Br)c2Br)C[C@@H](C)[C@@H]1Br 705447417 ITIHMBNRKVLWRW-QMSLJYSESA-N 460.029 4.765 50 10 JJGE O=C(Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)NNc1ccc(F)c(F)c1F 728715383 AJIJSCWEHOBXPD-UHFFFAOYSA-N 478.268 4.805 50 10 JJGE CC(=O)CCc1ccc(OCc2cccc(C(=O)NNc3ccnc(C(F)(F)F)c3)c2)cc1 1586708327 CMVMIRMRHCYYFW-UHFFFAOYSA-N 457.452 4.958 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CCl)[C@H](c2cc(Br)cc([N+](=O)[O-])c2)C1 1614642108 LQJNFLNFBRGSBF-YJBOKZPZSA-N 453.720 4.948 50 10 JJGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705848 HCRNUJHEKORYIK-FQEVSTJZSA-N 465.897 4.613 50 10 JJGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1865706299 SOEJOLNHMPEZLK-MRXNPFEDSA-N 491.813 4.679 50 10 JJGE CC(C)(C)OC(=O)N[C@H](CBr)C1CC(NC(=O)OC(C)(C)C)(C(F)(F)F)C1 1889178062 FSBLBPLCMJHJDI-NOEPWBJOSA-N 461.319 4.510 50 10 JJGE CN(Cc1cc(Br)cc2c1OCC2)C[C@@H](Br)COCc1ccccc1 1916371240 REAFRJCGNZKCKO-LJQANCHMSA-N 469.217 4.796 50 10 JJGE CC1(C)C[C@@H](Br)CN(C(=O)c2cc(Br)ccc2Br)C1 1923164408 VOHHEKHNXRAMMP-SNVBAGLBSA-N 454.000 4.847 50 10 JJGE CC(C)(C)OC(=O)NCCCN(CCOCCBr)c1cccc(Br)c1 2044692901 FKEMIBAIIAJCPJ-UHFFFAOYSA-N 480.241 4.582 50 10 JJGE Cc1cc(C)c(O)c(-n2nc(CBr)c(I)c2C(F)(F)F)c1 2079258576 LAUNASRESOOPHZ-UHFFFAOYSA-N 475.046 4.713 50 10 JJGE CC(C)[C@@H](Br)[C@@H](C)NC(=O)c1ccc(Br)cc1I 2086150072 WMHXGWURWSQJLD-PRHODGIISA-N 488.989 4.592 50 10 JJGE CCCN1CC[C@H]([C@@H](Br)c2cc(Br)c(Br)s2)S1(=O)=O 2089534985 IXFKHGVELBVKOR-ZJUUUORDSA-N 496.084 4.523 50 10 JJGE O=C(NC[C@@H](CBr)C(F)(F)F)c1cc(Br)ccc1Br 2105269626 JDHUJXIBOIMCJU-ZCFIWIBFSA-N 467.905 4.515 50 10 JJGE O=S(=O)(c1cc(CBr)ccc1Cl)N(Cc1ccccc1)C[C@@H]1CCCO1 2123199422 RZSUSBKOHKSGHC-KRWDZBQOSA-N 458.805 4.605 50 10 JJGE Cc1c([C@H](Br)[C@@H](C)c2ccncc2Br)c(Br)nn1C 2131590394 OSRDCXDECPMISP-JVXZTZIISA-N 451.988 4.888 50 10 JJGE C[C@@H](Br)CCCc1cn(-c2cc(I)ccc2Cl)nn1 2132764164 PGOBVSHHWXKYIB-SECBINFHSA-N 454.537 4.631 50 10 JJGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)cc(C)c1C 2179862167 SFOIKHHSZSHSEV-UHFFFAOYSA-N 454.430 4.816 50 10 JJGE COC[C@]1([C@H](Br)c2cc(Br)c(Br)cc2F)CCCO1 2225617596 UWFOEMXIWQRCRW-OLZOCXBDSA-N 460.963 4.982 50 10 JJGE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCCSSCCNC(=O)OC(C)(C)C 2247948854 CTQBQEXGQFLVGA-QZTJIDSGSA-N 477.737 4.764 50 10 JJGE COc1cccc(C2(c3cccc(OC)c3)C[C@H]2C(=O)NN=Cc2ccc(Br)cc2)c1 2297509671 VAGGBUVYDBECHR-QHCPKHFHSA-N 479.374 4.923 50 10 JJGE COc1cc(Br)ccc1C(=O)N[C@H](CCBr)COCc1ccccc1 2320359874 BVVNHYWOZNUIFD-MRXNPFEDSA-N 471.189 4.558 50 10 JJGE COc1ccc(C)cc1NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324603032 YJETXZJSYPWKBI-UHFFFAOYSA-N 466.585 4.757 50 10 JJGE CC(C)(C)OC(=O)NCCCCCC(=O)NN=Cc1ccc(OCc2ccccc2F)cc1 2328835191 BXWJYQAUHOBBSP-UHFFFAOYSA-N 457.546 4.940 50 10 JJGE CC(=O)Oc1ccc(C[C@H](NC(=O)C(C)=Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 2330458792 FAHSKJBEVYWTAJ-SANMLTNESA-N 499.592 4.955 50 10 JJGE Cc1ccc(-n2ccnc2CCCN2C(=O)c3ccccc3C2=O)c(CBr)c1Cl 2335573684 YXORPEKZSNMRNV-UHFFFAOYSA-N 472.770 4.958 50 10 JJGE Cn1nc(Br)c(Br)c1[C@@H](Br)Cc1ccc(F)cc1F 2338862938 CPDCGDHECJTJQT-QMMMGPOBSA-N 458.926 4.902 50 10 JJGE CC12CC(C1)[C@@H](CO[C@H](CI)c1ccc(Br)cc1)CO2 2365844750 GVYMCKKJKVUMGJ-GOPBEWJXSA-N 451.142 4.757 50 10 JJGE BrCCCN1CCCN(Cc2cc(Br)ccc2Br)CC1 2366619977 MAQJARGXLUAKTE-UHFFFAOYSA-N 469.059 4.504 50 10 JJGE Cc1cccc(C[C@H]2S/C(=C(\C#N)C(=O)NCc3ccccc3)N(c3ccc(F)cc3)C2=O)c1 1888740 IRQGJOUBBMAHKZ-GUNDDFSMSA-N 471.557 4.877 50 10 JJGE Cc1ccccc1C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 12490965 YXMBFLFBYQVDAD-UHFFFAOYSA-N 492.167 4.513 50 10 JJGE O=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 12503481 LTPIXQUUXTXXIN-VHEBQXMUSA-N 465.578 4.707 50 10 JJGE CCCOc1ccccc1C(=O)NNC(=O)COc1ccc([C@H](C)CC)cc1Br 14832347 AYLLEBGVUFJHJQ-OAHLLOKOSA-N 463.372 4.591 50 10 JJGE N#C/C(=C/c1cccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)c1)c1ccccc1F 31902846 LLGVSVQPERQLKP-CYVLTUHYSA-N 454.457 4.872 50 10 JJGE N#C/C(=C/c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)c1nc2ccccc2s1 33699332 UENMAAZVKYTARE-SDXDJHTJSA-N 477.567 4.641 50 10 JJGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc21 38650103 ZDNQPSDEWICKTB-JOCHJYFZSA-N 477.860 4.694 50 10 JJGE O=C(NNc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-])c1ccccc1Cl 40588064 KFWUJZDIMJXKEA-UHFFFAOYSA-N 453.673 4.846 50 10 JJGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Sc1ccc(Cl)cc1 40723081 BLBXTJWZVAFIOJ-UHFFFAOYSA-N 470.769 4.692 50 10 JJGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1cccc(F)c1 58888136 HMEQNWGTDSTMBT-MPTKSEEOSA-N 450.510 4.767 50 10 JJGE O=C(N/N=C1/C(=O)N(CCOc2ccccc2)c2ccccc21)c1ccc(Cl)cc1Cl 59152812 QQGRWTZBIINBGI-YYADALCUSA-N 454.313 4.553 50 10 JJGE CCCCOc1cccc(/C=N\NC(=O)c2ccc(Nc3nc4ccccc4c(=O)[nH]3)cc2)c1 169927908 BJFFNIISIKWMSW-PKAZHMFMSA-N 455.518 4.610 50 10 JJGE CC(C)(C)[C@@H](CCCl)NC(=O)c1cc(Br)ccc1I 231145767 HNCACJHFVVSNFJ-GFCCVEGCSA-N 458.565 4.827 50 10 JJGE CCCOc1ccccc1C=NNC(=O)COc1c(Br)cc(C)cc1Br 252618465 LHKTWNLWYVNHTD-UHFFFAOYSA-N 484.188 4.838 50 10 JJGE C[C@H](Br)CC(C)(C)CNS(=O)(=O)c1cc(Cl)c(Br)s1 393587942 XVNVPYHJNVJBLH-ZETCQYMHSA-N 453.649 4.642 50 10 JJGE ClCc1nc2cc(I)ccc2n1Cc1cncc(Br)c1 702995177 IIIIKVBNVITQLR-UHFFFAOYSA-N 462.516 4.586 50 10 JJGE C[C@@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(=O)N1CCc2ccccc21 782092546 HHIWDTYBGKOOAJ-ISPGYRLHSA-N 499.958 4.545 50 10 JJGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)CCc1nc(O)c2c3c(sc2n1)C[C@@H](C)CC3 843490479 ZJZLOQBDWBBDQM-ZDUSSCGKSA-N 453.520 4.697 50 10 JJGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)NN=C/C(Br)=C/c1ccccc1 1084485257 STUYVQXPHQDXMU-SRAXMOKHSA-N 451.246 4.593 50 10 JJGE C/C(=C/c1ccccc1Cl)C(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1 1544389046 WDNUSDHZDIIAEP-LXGMGKJTSA-N 459.977 4.518 50 10 JJGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(Cl)ccc2-c2ccc(C)o2)cc1 1624364751 QQOMTJPHTVYZLE-OAHLLOKOSA-N 455.898 4.731 50 10 JJGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865707829 HEDOFCFCUAJGFZ-XMMPIXPASA-N 452.514 4.823 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OC)c1OCc1ccccc1 1873794559 ONYGWMNMDFWOEA-QYASMSAHSA-N 469.582 4.664 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CN(Cc2ccccc2)C2(CCC2)C1 1985347630 WCXFTTPHZGMLKH-HXUWFJFHSA-N 451.702 4.679 50 10 JJGE O=C(O)CCC(=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1cccs1 2059845918 MGLNIWYHQAJDRS-UHFFFAOYSA-N 464.572 4.916 50 10 JJGE Cc1cc(Br)c(-n2cc(C(C)(C)CBr)nn2)c(Br)c1 2108762788 WPGDEQCELAJCCK-UHFFFAOYSA-N 451.988 4.773 50 10 JJGE CCCN1CCC[C@H]([C@H](Cl)c2scc(Br)c2Br)S1(=O)=O 2145766941 HOHTVYMAYYVFLA-KOLCDFICSA-N 465.660 4.757 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@@H](CBr)C(F)(F)C1 2146374775 FFHBJZWMJLJJLJ-QMMMGPOBSA-N 475.953 4.704 50 10 JJGE O=C(N[C@@H]1CCCC[C@H]1CCCl)c1ccc(I)c(Br)c1 2146725468 MUZPYSRINALXGU-IINYFYTJSA-N 470.576 4.971 50 10 JJGE CN(c1ncc(C(F)(F)F)cc1I)[C@H](CCBr)C(F)F 2178515263 KIUPPFSKUXLKRG-MRVPVSSYSA-N 473.021 4.560 50 10 JJGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)c(CCBr)c1 2179826438 SAVVTFLJSHNOHC-INIZCTEOSA-N 452.414 4.622 50 10 JJGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(C)C)c(CCBr)c1 2179835451 UCGFTQNUMRDCEC-QGZVFWFLSA-N 454.430 4.868 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@H](Cl)C2)c1ccc(I)c(Br)c1 2204574066 KORCGRGPDHSXNY-GTUGTTAGSA-N 468.560 4.580 50 10 JJGE Cc1cc(C(=O)NCC[C@H]2CCCC[C@H]2Br)ccc1I 2207112309 XQDNDIFKDFFMJO-TZMCWYRMSA-N 450.158 4.673 50 10 JJGE O=C(NC[C@@H]1CCC[C@H](CCl)C1)c1ccc(Br)cc1I 2207269180 POPOSYYRMKKPKH-WDEREUQCSA-N 470.576 4.829 50 10 JJGE C[C@H]1[C@H](Cl)C[C@@H](C)CN1C(=O)c1ccc(Br)cc1I 2227594484 MKBDTDSTXTWUBS-VDDIYKPWSA-N 456.549 4.532 50 10 JJGE C[C@H](NC(=O)c1ccc(Cl)c(I)c1)[C@H]1CCC[C@H]1Br 2268351146 FKRJITRRTULDOC-JMJZKYOTSA-N 456.549 4.627 50 10 JJGE COC(=O)c1cc(OC)c(OC)cc1NC=C(C#N)c1nc(-c2ccc(OC)cc2)cs1 2295945876 MRCZFVAFTNLLDO-UHFFFAOYSA-N 451.504 4.599 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OC 2313518404 AVIYFHCBRQXSHL-UHFFFAOYSA-N 462.287 4.553 50 10 JJGE CCc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)NC)cc1 2314592711 AELLNBQOPKHYOP-IBGZPJMESA-N 460.386 4.728 50 10 JJGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(OC)cc1 2314592944 DTWQWLYHMHFUSE-IBGZPJMESA-N 488.396 4.730 50 10 JJGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)c2cc(Br)c(Br)s2)c1 2314760089 FBPXUDSYPFPVLG-UHFFFAOYSA-N 485.153 4.962 50 10 JJGE Clc1ccc(CN2CCS[C@H](CCBr)C2)cc1I 2315552904 KVNXLKFWAJOWEN-LLVKDONJSA-N 460.606 4.647 50 10 JJGE Fc1cc(CBr)c(N2CC[C@H]3COC[C@@H](C2)N3Cc2ccccc2)cc1Cl 2362393218 AJSRHNSCJHYWHE-ZWKOTPCHSA-N 453.783 4.854 50 10 JJGE O=C(N[C@H]1C[C@@H](CBr)C12CCC2)c1ccc(Cl)cc1I 2379721385 VIYRFPZKCHYNKP-ZANVPECISA-N 468.560 4.628 50 10 JJGE CCn1nc(Br)c(COc2c(Br)cc(Cl)cc2CBr)n1 2379957965 LFHAZFMCIJUQAC-UHFFFAOYSA-N 488.405 4.950 50 10 JJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)OCC)cc3)o2)cc1 1515498 OLPXVLUDSNABPM-HKWRFOASSA-N 458.470 4.846 50 10 JJGE CCOCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cc2cccc(OC)c2o1 33515875 IJRGPMOAOYHQRG-HKWRFOASSA-N 470.529 4.744 50 10 JJGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 38654201 SONRTLFCVZHCMU-XMMPIXPASA-N 471.469 4.821 50 10 JJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1 38683641 BJMAHXBSLKAVIQ-HHHXNRCGSA-N 498.535 4.799 50 10 JJGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1 38686954 BWYMVIHJFYWORT-DEOSSOPVSA-N 450.450 4.539 50 10 JJGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)c1 38701181 PZXUHXIBEKXUAB-RUZDIDTESA-N 480.476 4.629 50 10 JJGE COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 39858564 JDTZZDJYLYIVIY-PEZBUJJGSA-N 472.888 4.694 50 10 JJGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1=O 101231012 IXBOJQAMVHKQGI-HYARGMPZSA-N 454.917 4.971 50 10 JJGE CC(C)C[C@@H](CBr)NC(=O)c1cc(I)ccc1Br 232588654 YDIREGINSXHQFV-JTQLQIEISA-N 488.989 4.593 50 10 JJGE CCCS(=O)(=O)CCC(CBr)(CBr)c1cccc(Br)c1 233257872 ZVPVPTUABZZTTE-UHFFFAOYSA-N 491.083 4.692 50 10 JJGE COc1ccc(C=NNC(=O)c2ccoc2C)cc1COc1ccc(C(=O)OCC(C)C)cc1 254402487 DLZMWROYLSNRDK-UHFFFAOYSA-N 464.518 4.752 50 10 JJGE O=C(NN=Cc1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1)c1ccccc1O 254492068 BBEMITVLPFRDBY-UHFFFAOYSA-N 482.521 4.599 50 10 JJGE Cc1cccc(C(=O)N2CCCC[C@@H]2C[C@@H](C)Br)c1I 312410424 RNQFQWNXTNPTGQ-CHWSQXEVSA-N 450.158 4.768 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CCC[C@H](CBr)CC1 386034815 CKAXXSPLROYWMD-QMMMGPOBSA-N 460.029 4.910 50 10 JJGE O=C(NC1(CCBr)CCCCC1)c1ccc(F)cc1I 687326928 XFYASLRJACRSHJ-UHFFFAOYSA-N 454.121 4.648 50 10 JJGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)cc1O)C(C#N)=C(N)O2 1865680971 BGXWGVINDMQRQV-HXUWFJFHSA-N 471.344 4.820 50 10 JJGE Cc1nc(C2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(C(C)(C)C)n3)CC2)nn1C 1868342289 QIHVMTUQJDWXEM-UHFFFAOYSA-N 462.627 4.912 50 10 JJGE COc1cccc(-c2csc(/C(C#N)=C(\O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c1 1872744298 LMBGPPLBWOTKMX-NNWMPZTLSA-N 459.527 4.932 50 10 JJGE O=C(Nc1ccc(Br)c(I)c1)[C@H](Br)C1CCCC1 2048124318 WFDJYVJCNNQWNN-GFCCVEGCSA-N 486.973 4.946 50 10 JJGE CC(C)[C@H]1[C@@H](Br)CCN1C(=O)c1cc(Br)c(Br)s1 2062179355 OVZGLPUUYCLBSW-XVKPBYJWSA-N 460.029 4.907 50 10 JJGE F[C@@H]1CCO[C@@H]1CC(CBr)(CBr)c1ccc(Br)cc1 2122534490 UIFCOURGYKEJSA-CHWSQXEVSA-N 458.991 4.994 50 10 JJGE CC1(C)[C@@H](NC(=O)c2cc(Br)ccc2Br)CC[C@H]1Br 2142134783 JUDPEJWXTYBEOH-NEPJUHHUSA-N 454.000 4.894 50 10 JJGE CC1(C)CCN(C(=O)c2ccc(I)c(Br)c2)C[C@H]1CCl 2148657517 CMUSIQVMPRFTBM-LLVKDONJSA-N 470.576 4.781 50 10 JJGE Fc1cc(Br)cc(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)c1CBr 2170693432 ZLRWMABTJXRCFL-LEWJYISDSA-N 498.234 4.963 50 10 JJGE CN(Cc1cn(C)nc1Br)c1cc(Br)cc(F)c1CBr 2173264606 NQWPEKLQTVFTAB-UHFFFAOYSA-N 469.978 4.616 50 10 JJGE CC[C@H](C)[C@H](CI)NC(=O)c1cc(F)c(Br)cc1Cl 2267804651 YFCRMJFNSQNMIS-MADCSZMMSA-N 462.528 4.821 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CCCCC[C@@H]1CBr 2268359594 UHJKXCWXXSGODX-LLVKDONJSA-N 456.549 4.724 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1 2314617307 VSJCGXKTXYTEHA-UHFFFAOYSA-N 478.504 4.787 50 10 JJGE N#CC(=Cc1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)c1ccccc1 2320507283 LSCQIULPLNQLOS-UHFFFAOYSA-N 458.539 4.754 50 10 JJGE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3ccc(Cl)cc3)sc2c1 2329654509 XAWNDYBFVAWYNU-UHFFFAOYSA-N 499.017 4.858 50 10 JJGE CC[C@@]1(C)[C@@H](Br)CCN1C(=O)c1cc(Cl)ccc1I 2336763276 ZCPIWFCREVVSDG-JSGCOSHPSA-N 456.549 4.723 50 10 JJGE Cn1nc(Br)c(Br)c1[C@@H](Br)Cc1cccc(F)c1F 2338690177 DLAAURLFWVOOFQ-ZETCQYMHSA-N 458.926 4.902 50 10 JJGE CC1(C)CC(CBr)(CN=[S@](C)(=O)CC2(C)CN(C(=O)OC(C)(C)C)C2)C1 2345008432 OMNVZFLCCBMCBY-AREMUKBSSA-N 451.471 4.543 50 10 JJGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cccc(OCCOc2ccccc2)c1 14040955 ATZCWPJFQRCCIH-HXUWFJFHSA-N 470.525 4.526 50 10 JJGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2cc(Cl)ccc2Cl)C1 118875401 BZQBPIFTPWPPIE-LLVKDONJSA-N 479.061 4.747 50 10 JJGE ClC/C=C\COc1c(I)cc(Cl)cc1I 393757470 INLZPHDFEXPZSE-UPHRSURJSA-N 468.887 4.723 50 10 JJGE C[C@@H]1CCCN(c2ncc(C(F)(F)F)cc2I)[C@@H]1CBr 686115643 VQYBLWNIZFNUPK-LDYMZIIASA-N 463.079 4.705 50 10 JJGE C[C@@H](CCl)[C@H]1CCCCN1C(=O)c1cc(I)ccc1Br 696711243 FYSJWXISCUPQOE-IINYFYTJSA-N 470.576 4.923 50 10 JJGE C[C@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)c1nc(O)c2ccccc2n1 782093891 BDIKKGCRZVUKQV-CQUHBBLWSA-N 498.930 4.977 50 10 JJGE Cc1ccc(C=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)o1 1084385056 KNVAAZJJOUZMAU-UHFFFAOYSA-N 473.602 4.977 50 10 JJGE C/C(=C\C(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1)c1cccc(Cl)c1 1136464072 GXIPYEABUIDGHN-GZTIXLHPSA-N 459.977 4.518 50 10 JJGE CC(=O)N1CC[C@H](NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3F)c2C)c2ccccc21 1518263174 RXHLSRAXFOFBEF-VOZFUJEASA-N 456.521 4.754 50 10 JJGE NS(=O)(=O)c1ccc(-n2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2CCl)cc1 1614818222 CTFILOAPACGYMA-UHFFFAOYSA-N 483.821 4.963 50 10 JJGE C=CCCSCCNC(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 1674227941 CJZKSXIRJADDOY-UHFFFAOYSA-N 450.029 4.886 50 10 JJGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc1OC 1865697658 YUJALFVEHUDDDY-DEOSSOPVSA-N 462.525 4.785 50 10 JJGE Cc1ccccc1COc1ccccc1/C=N/NC(=O)COc1ccc2c(C)cc(=O)oc2c1 1873792603 HRJSONQRJYDSCZ-RWPZCVJISA-N 456.498 4.518 50 10 JJGE ClCCN(Cc1ccccc1)c1ncc(I)cc1Br 1881120293 KSCWIOXCRWFCIE-UHFFFAOYSA-N 451.533 4.694 50 10 JJGE O=C(N[C@H]1CCC[C@@H]1CCBr)c1cc(Br)c(Br)s1 2030111100 KMGOJNIWTNBPHR-APPZFPTMSA-N 460.029 4.957 50 10 JJGE CC[C@H](Br)C(=O)N(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2044694294 SVGKOTDEMGOBPQ-HNNXBMFYSA-N 478.225 4.870 50 10 JJGE CN(CCOCc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2059291489 LLZRDTYPQCAQTK-UHFFFAOYSA-N 467.212 4.726 50 10 JJGE Brc1cc(I)cnc1N1C[C@H](Br)CCC12CCC2 2069529382 QSZPKCKKXFSADS-SECBINFHSA-N 485.989 4.735 50 10 JJGE C[C@@H](Br)[C@H](NC(=O)c1cc(Br)sc1Br)C(F)(F)F 2074717213 RHMAUUBBCQKMKW-CVYQJGLWSA-N 473.934 4.717 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CCCC[C@@H](CBr)C1 2092335161 ZLMKCIWNHHBKFY-JTQLQIEISA-N 454.000 4.849 50 10 JJGE COc1sccc1[C@@H](Br)c1cc(I)cc2c1OCC2 2095791718 WHENOGYIBVRFCM-GFCCVEGCSA-N 451.123 4.781 50 10 JJGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCS(=O)(=O)C2)c1Br 2136378110 BPOGPVOSQCQYRS-NOZJJQNGSA-N 475.040 4.699 50 10 JJGE CC1(C)[C@H](Cl)CC[C@H]1NC(=O)c1ccc(I)c(Br)c1 2142125128 DLTHVYMKKKQMRM-VXGBXAGGSA-N 456.549 4.580 50 10 JJGE Cc1cc(C(=O)N[C@H](CBr)c2ccsc2)ccc1I 2142143210 JYUSHCSHTYXQRE-CYBMUJFWSA-N 450.139 4.527 50 10 JJGE CCn1ncc(Br)c1[C@H](Cl)c1cc(I)cc2c1OCC2 2150668904 PNMMGBOZVCZKMA-GFCCVEGCSA-N 467.532 4.533 50 10 JJGE Cc1cc(CCl)cc(S(=O)(=O)N(C)C2CC(OCc3ccccc3)C2)c1Br 2156445567 CPXAQRUFFHRCSB-UHFFFAOYSA-N 472.832 4.865 50 10 JJGE O=C(c1csc(Br)c1Br)N1CC[C@@](CCl)(C(F)(F)F)C1 2167675246 NBTIEEWAOKSCKS-JTQLQIEISA-N 455.521 4.907 50 10 JJGE C[C@](CI)(OCCN1CCCCC1)c1ccccc1Br 2175838310 UEIOYGZFWSLHJG-MRXNPFEDSA-N 452.174 4.602 50 10 JJGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@@H]1C[C@@H](CCl)C2 2184581371 BAFNAUVGWLBLIO-WLLOZRIZSA-N 468.560 4.676 50 10 JJGE Cc1nn(C)c(Br)c1CN(C)c1ccc(CBr)c(Br)c1 2185787206 MYOHTNNUVJROSF-UHFFFAOYSA-N 466.015 4.785 50 10 JJGE O=C(c1ccc(Br)cc1I)N1C[C@@H](Cl)C2(CCCC2)C1 2207273724 WYQVLXQQCHRMEW-CYBMUJFWSA-N 468.560 4.677 50 10 JJGE CN(C[C@H]1C[C@H](Br)C1)C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2241637085 IYHBIRAUOANMCI-QAQDUYKDSA-N 485.422 4.936 50 10 JJGE Cn1nc(Br)c([C@@H](Cl)Cc2cc(Br)cc(Br)c2)n1 2263515996 VXNVLNVHTPXBSE-VIFPVBQESA-N 458.379 4.625 50 10 JJGE C[C@@H]1CCN(Cc2ccc(I)c(Br)c2)[C@@H]1CBr 2306219019 HPTUUHJWKVKQRE-NOZJJQNGSA-N 472.990 4.659 50 10 JJGE CCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)N[C@@H](C)CC)c(=O)oc3c2)cc1 2314751024 LVOPJQYGMATYCU-KRWDZBQOSA-N 474.513 4.623 50 10 JJGE N#CC(=CNc1ccc(F)c(F)c1F)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609642 GCESLFOUGVOOON-UHFFFAOYSA-N 476.502 4.857 50 10 JJGE CCOC(=O)c1ccc(CNC=C(C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 2325384997 QLUBDWWDZZXUBQ-UHFFFAOYSA-N 451.832 4.671 50 10 JJGE COc1ccc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc1OCc1ccc(Cl)cc1Cl 2328795151 RVEJTFNWHDRJGR-AWEZNQCLSA-N 496.391 4.944 50 10 JJGE Cn1nc(Br)c(Br)c1[C@H](Br)Cc1ccc(F)c(F)c1 2338864738 XUILPGDPJJCFRH-SSDOTTSWSA-N 458.926 4.902 50 10 JJGE O=C(NC[C@@H]1CCCC[C@@H]1Br)c1ccc(Cl)cc1I 2340054908 PQRVKCHYBPMIHJ-CABZTGNLSA-N 456.549 4.628 50 10 JJGE O=C(N[C@H](CBr)C1CCCC1)c1ccc(Cl)cc1I 2340057850 OJEAKURCSWGURZ-CYBMUJFWSA-N 456.549 4.628 50 10 JJGE C[C@H]1CC[C@@H](CBr)CN1C(=O)c1ccc(Cl)cc1I 2340060621 FCMTYCBQFZHMKM-UWVGGRQHSA-N 456.549 4.580 50 10 JJGE CN1CCC[C@@]1(C)CO[C@](C)(CI)c1ccccc1Br 2362025287 NBPKGQZEOYRBPT-JKSUJKDBSA-N 452.174 4.600 50 10 JJGE Cc1cc(Br)ccc1OCC(=O)N/N=C/c1cccc(OCc2ccccc2)c1 12493581 LXZNLYLAKQZEKY-AFUMVMLFSA-N 453.336 4.866 50 10 JJGE COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccccc3C#N)c3ccccc23)cc1 33340070 GDFSSUJPPMCUGL-HMAPJEAMSA-N 460.493 4.894 50 10 JJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1 38650634 UGKZHCGNDRBURS-DEOSSOPVSA-N 471.469 4.821 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC)c(OC)c2)cc1 38659536 RBTCXBCZQMCFTE-AREMUKBSSA-N 486.524 4.930 50 10 JJGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(=O)OC)cc2)cc1 38683649 PGBNMKOXQQDHEI-MRDQGFSESA-N 498.535 4.627 50 10 JJGE O=C(NNc1ncnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40607732 UOSUTMXRXOGFEW-UHFFFAOYSA-N 481.277 4.508 50 10 JJGE CCCCc1ccc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2N)cc1 40680170 NPLSQPDMJBRJMW-UHFFFAOYSA-N 455.360 4.664 50 10 JJGE O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc(Br)cc1 59166934 XYDYZVZJEOHTNF-WSDLNYQXSA-N 485.250 4.822 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)cc2/C=C(/C#N)C(=O)NCc2ccco2)cc1OC 96438804 GUXSFENKPCQLPX-NDENLUEZSA-N 486.503 4.571 50 10 JJGE CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1 97610511 DOIWVXPOGQNOFB-PYCMYLLGSA-N 460.328 4.614 50 10 JJGE O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2)nc(N2CCCCC2)n1 169927408 OKPGIKZNDOFVEB-LQKURTRISA-N 453.468 4.917 50 10 JJGE COCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C1=O 214283565 SEIQVZOLLYLIRG-IWIPYMOSSA-N 480.568 4.703 50 10 JJGE CN(C(=O)c1cc(Cl)ccc1I)[C@@H]1CCCC[C@H]1Br 234334739 HVXCIDRZBRZKJL-DGCLKSJQSA-N 456.549 4.723 50 10 JJGE Cc1ccc(S(=O)(=O)n2cc(C=NNC(=O)c3ccccc3-n3cccc3)c3ccccc32)cc1 254816085 LIFJVOHGGBTJSM-UHFFFAOYSA-N 482.565 4.741 50 10 JJGE C[C@@H](Cl)C[C@H]1CCCN1C(=O)c1cc(Br)ccc1I 311986340 MVFUQYCVNORRCD-MWLCHTKSSA-N 456.549 4.676 50 10 JJGE Clc1ccc(I)c(CNCCCCCI)c1 405530582 MPIOEYMQRRNUHA-UHFFFAOYSA-N 463.528 4.640 50 10 JJGE CC[C@@H]1[C@@H](CCl)CCN1C(=O)c1ccc(I)c(Br)c1 721575724 BQDRHLKWHZZOAK-ZWNOBZJWSA-N 456.549 4.533 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)NNC(=O)c2cc(F)ccc2Br)c(C)n1-c1ccc(F)cc1 728545632 ACYQDBJKIDBEEH-MHWRWJLKSA-N 499.315 4.503 50 10 JJGE COc1ccc(COC(=O)NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 1083902609 BQEWOHJATBKSIE-UHFFFAOYSA-N 466.406 4.564 50 10 JJGE COc1ccc(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1COc1ccc(Cl)cc1 1084233353 LPTOVSOYXKXQGH-UHFFFAOYSA-N 484.936 4.717 50 10 JJGE CCOc1cc(C=NNC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1cccc(F)c1 1084415627 NHJIMYOUVXTUSW-UHFFFAOYSA-N 452.482 4.585 50 10 JJGE CC(=O)N1CCN(c2cccc(NC(=O)NN(Cc3ccccc3)c3ccccc3)c2C)C1=O 1678295273 SOSQGLRLNVRFNL-UHFFFAOYSA-N 457.534 4.527 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682735 WNOWGQNRGIXNFV-XMMPIXPASA-N 498.514 4.678 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706400 VWLLZUXKIILNKG-JOCHJYFZSA-N 465.469 4.674 50 10 JJGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865709768 GJRCHTVPQKJEAN-HSZRJFAPSA-N 479.496 4.983 50 10 JJGE COc1cc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCc1ccc(Cl)cc1 1873793517 OBSNRXPXSZHAOR-IYAOEYEUSA-N 487.984 4.777 50 10 JJGE C[C@@H]([C@H](Br)c1ccc(OCc2ccccc2)cc1Br)S(C)(=O)=O 1899858703 HOYFRRRGEBDWBY-SJCJKPOMSA-N 462.203 4.897 50 10 JJGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1c(Cl)cccc1CBr 1912993213 QYFMQOTYIAKXRX-UHFFFAOYSA-N 458.743 4.649 50 10 JJGE O=C(Nc1cc(Br)c(Br)c(Br)c1)[C@@H]1C[C@@H]1Br 1991403099 DNCLPRDJLQSTKM-RITPCOANSA-N 476.788 4.696 50 10 JJGE CSCC[C@H](Br)CCNC(=O)c1scc(Br)c1Br 2029920663 WEYVGFIWLIRCJJ-SSDOTTSWSA-N 480.085 4.910 50 10 JJGE O=C(CBr)c1ccc(I)c(C(F)(F)F)c1OC(F)(F)F 2055118474 PGVZHIBACRIFOY-UHFFFAOYSA-N 476.936 4.786 50 10 JJGE O=C(N[C@H](CBr)c1cscn1)c1scc(Br)c1Br 2055479397 MBGFNUZIBVXWAZ-ZCFIWIBFSA-N 475.025 4.596 50 10 JJGE O=C(CBr)c1cc(OC(F)(F)F)c(I)cc1C(F)F 2060384730 XOPSILNBICZKSK-UHFFFAOYSA-N 458.946 4.705 50 10 JJGE CC[C@H](C)[C@H](CBr)NC(=O)c1ccc(Br)cc1I 2086146827 FSVRBNZJUAXBOJ-UFBFGSQYSA-N 488.989 4.593 50 10 JJGE O=C(NCC[C@H]1CCC[C@H]1Cl)c1ccc(Br)cc1I 2142282527 FMMKRNZGHUKJAV-BXKDBHETSA-N 456.549 4.581 50 10 JJGE C[C@@H]1CCC[C@](CBr)(NC(=O)c2cc(I)ccc2F)C1 2169665790 XDCVSOCOGMVWQM-BMIGLBTASA-N 454.121 4.504 50 10 JJGE Cc1cc(Br)c(CBr)c(-n2cnc3c(Br)ncnc32)c1 2175917634 YVQKLGSNZDLWGN-UHFFFAOYSA-N 460.955 4.544 50 10 JJGE O=S(=O)(c1ccc(OCCCBr)cc1)N(Cc1ccccc1)CC1CCC1 2179827652 HQUJMSLRKXFASN-UHFFFAOYSA-N 452.414 4.841 50 10 JJGE C[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2179831050 RTQYIUDZADIGCC-AWEZNQCLSA-N 492.266 4.783 50 10 JJGE O=C(c1ccc(Br)c(C(F)(F)F)c1)N1CCC(I)CC1 2198573364 QMJGROFODQLWRV-UHFFFAOYSA-N 462.047 4.508 50 10 JJGE CC[C@H](Br)c1cn(-c2ccc(C(F)(F)F)cc2I)nn1 2204127900 LYNFKUBSGRCLMR-QMMMGPOBSA-N 460.035 4.737 50 10 JJGE CC(C)(C)OC(=O)N[C@@H](C[S@@](C)(=O)=NCCCCCI)C(C)(C)C 2214696552 MXDWCPKAAYSQNN-LFPIHBKWSA-N 474.449 4.629 50 10 JJGE Cc1cccc([C@@H](CI)OCCOCCOCCOCc2ccccc2)c1 2236089102 PARKXFZSHGBIIM-JOCHJYFZSA-N 484.374 4.738 50 10 JJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1 2314634720 CVSZFVJYBPPNFD-VWLOTQADSA-N 486.911 4.964 50 10 JJGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)C=Cc2ccc(OC)c(Br)c2)c1 2314753757 DQRQZPRCQNPZFG-UHFFFAOYSA-N 456.292 4.547 50 10 JJGE Clc1ccc(CN2CCSC[C@@H]2CCBr)c(I)c1 2318542052 VIMRXAQVOOJXAI-LBPRGKRZSA-N 460.606 4.647 50 10 JJGE CN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc(C=C(C#N)c3cccc(Cl)c3)cc2)cc1 2320506314 HAJYSHVGABOPDF-UHFFFAOYSA-N 466.946 4.874 50 10 JJGE COc1cc(-c2csc(C(C#N)=C(O)CCN3C(=O)c4ccccc4C3=O)n2)c(OC)cc1Cl 2331376899 HLNIAEQKCFLMKL-UHFFFAOYSA-N 495.944 4.960 50 10 JJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2ccc(Br)cc2Br)[C@@H]1C 2344520769 PIRWEOJGMCURFV-SBMIAAHKSA-N 454.000 4.846 50 10 JJGE ClC1CC2(C1)CC(CNCc1ccc(I)c(Br)c1)C2 2349861811 YJDIJHUHGFEDOO-UHFFFAOYSA-N 454.577 4.941 50 10 JJGE CC(C)COc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1 14668274 FYYXRXUEMHZWNV-UHFFFAOYSA-N 477.399 4.621 50 10 JJGE C[C@H](C(=O)Oc1ccc(/C=C(/C#N)c2cccc(Cl)c2)cc1)N1C(=O)c2ccccc2C1=O 31901532 HESQJRNCFHNPLV-YZYPPFLQSA-N 456.885 4.994 50 10 JJGE CCOc1cc(/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 38606445 ZXIJSJGBAXOXRU-HZHRSRAPSA-N 474.557 4.602 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1OC 38659432 AROKEFXHELVYDW-VWLOTQADSA-N 456.498 4.840 50 10 JJGE Cc1ccccc1C(=O)NNc1ncnc(NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 40650600 BBPVZQRRNPHTQX-UHFFFAOYSA-N 454.490 4.652 50 10 JJGE C#CCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 59159902 DSVNAUJKKHDYRB-MIDUAYCOSA-N 470.150 4.686 50 10 JJGE CCOC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 102974668 QNLCERLHROCBNL-ONZPZFSWSA-N 475.339 4.578 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CCC[C@H](CCBr)C1 232461030 CVSXICWZSXRPLO-MRVPVSSYSA-N 460.029 4.910 50 10 JJGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccs3)nnc2-c2ccc(C)cc2)cc1 254849800 XSUKFKYQKBVUMX-UHFFFAOYSA-N 463.588 4.555 50 10 JJGE CC(=NNC(=O)c1cccc(OC(F)(F)C(F)F)c1)c1ccc(NC(=O)C2CCC2)cc1 254869399 IIHDOQOYZIQDJC-UHFFFAOYSA-N 451.420 4.816 50 10 JJGE Cc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c(F)c1 382684291 GLKOWQFBRLNMCI-AEFFLSMTSA-N 453.295 4.921 50 10 JJGE C[C@H](CCBr)CCNC(=O)c1cc(Br)ccc1I 397718978 AFWDCMLEVUOLSP-SECBINFHSA-N 488.989 4.595 50 10 JJGE O=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1ccc(OCc2ccc(Br)cc2)cc1 1081086818 PTKVYORGZDBJKZ-UHFFFAOYSA-N 454.280 4.700 50 10 JJGE O=C(CSCc1ccccc1Cl)NN=C1C(=O)N(Cc2ccccc2F)c2ccccc21 1084210093 LVBKHKNSOWNZSN-UHFFFAOYSA-N 467.953 4.780 50 10 JJGE CC(CCc1ccccc1)=NNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 1084332287 OVUONZLZJLHBRI-UHFFFAOYSA-N 463.603 4.624 50 10 JJGE CCN(CC)c1ccc(C=NNC(=O)CCCSc2nc3ccccc3n2CC)c(O)c1 1084333679 XUTNAYBWUIJHTB-UHFFFAOYSA-N 453.612 4.631 50 10 JJGE CCCOc1ccc(C=NNC(=O)CCCOc2ccc(C)cc2Br)cc1OC 1772755982 WTNAHOUFEZFHSS-UHFFFAOYSA-N 463.372 4.864 50 10 JJGE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865686895 DPEGZUAREYWUIB-VWLOTQADSA-N 479.540 4.635 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1OC 1865694824 CQJRYNXFERETSD-IBGZPJMESA-N 488.441 4.715 50 10 JJGE Cc1cc(C(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)nn1-c1ccccc1 1866837257 ADIJUTVGSYCUQR-DEOSSOPVSA-N 467.554 4.864 50 10 JJGE CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1ccc(OCc2ccccc2F)cc1 1873795209 BXWJYQAUHOBBSP-OGLMXYFKSA-N 457.546 4.940 50 10 JJGE BrCc1cc(Br)c(I)c(Br)c1 2054856352 LVQSADRSWJOHMH-UHFFFAOYSA-N 454.725 4.711 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CC[C@]12C[C@@H](CBr)C2 2061802016 QJOVMBQXTLQSBX-HCJPZQEFSA-N 458.013 4.663 50 10 JJGE C[C@@H]1C[C@@H](CBr)CN(C(=O)c2c(Br)cccc2Br)C1 2094092769 JGOYZVUKPFAZOQ-ZJUUUORDSA-N 454.000 4.705 50 10 JJGE CC1(C)C[C@@H](CBr)N(C(=O)c2cccc(Br)c2Br)C1 2094753982 ZEEOFCLUGXIJGZ-VIFPVBQESA-N 454.000 4.847 50 10 JJGE O=C(NC[C@]1(CBr)CC12CCC2)c1cc(Br)sc1Br 2097904154 MWESOHODZGUQJI-CYBMUJFWSA-N 472.040 4.958 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1C[C@@H](Br)CC2(CCC2)C1 2151344535 FTUVXZYSWSZRKE-JTQLQIEISA-N 468.560 4.724 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CC2(CCC2)C[C@@H]1CCl 2151497724 HSJSDWPRBXJJAD-LLVKDONJSA-N 468.560 4.677 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@@H](C(F)(F)F)[C@@H](CCl)C1 2163345139 GECBYHAWTFZOPE-CAHLUQPWSA-N 455.521 4.762 50 10 JJGE CN(C(=O)c1cc(I)ccc1F)[C@H]1CCCCC[C@H]1Br 2172536844 NXVFEXWKFGHVGO-OCCSQVGLSA-N 454.121 4.599 50 10 JJGE BrCCCCCCCCCn1cnc2c(I)ncnc21 2177732394 VGLASVSFSLAHCW-UHFFFAOYSA-N 451.150 4.557 50 10 JJGE CN([C@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccccc1CBr 2179812174 PFTCRHJKZNBBJP-AZUAARDMSA-N 452.414 4.586 50 10 JJGE O=C(c1ccc2cc(Br)ccc2c1)N1C[C@H](Br)[C@H](Br)C1 2196129575 OGRGIXKDXOTIQX-OKILXGFUSA-N 461.979 4.585 50 10 JJGE CC(C)CN(C[C@@H](C)Br)C(=O)c1cc(Cl)ccc1I 2272427576 BUHKZPYJEHZJLV-SNVBAGLBSA-N 458.565 4.826 50 10 JJGE CN(c1ncc(I)cc1Br)[C@H](CCl)c1ccccc1 2279022816 AIYZDXSKBXCEBN-CYBMUJFWSA-N 451.533 4.865 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2C[C@H](Br)CC[C@H]2C1 2283660552 CMCJJFPQLJGCJY-QJPTWQEYSA-N 468.560 4.580 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H](Br)CC2(CCC2)C1 2283665578 WLPITCZLIZQXBX-NSHDSACASA-N 468.560 4.724 50 10 JJGE O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1ccc2c(c1)CCN2CCCCl 2296944898 QOMJMMXLLKTBER-UHFFFAOYSA-N 493.938 4.528 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 2314619744 DQTNCUVHDLDDCN-UHFFFAOYSA-N 457.417 4.786 50 10 JJGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cc(C)c(Cl)c(C)c2)c(OCC)c1 2314735804 DRZNEVDWMSMJGQ-UHFFFAOYSA-N 457.910 4.810 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 2314737234 STNBDBOZPZPNJL-UHFFFAOYSA-N 491.887 4.699 50 10 JJGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2cc(Br)ccc2OC)c(OC)c1 2314772575 KLSNVFWVMOSGMB-UHFFFAOYSA-N 499.361 4.518 50 10 JJGE COc1ccc(-c2ccc(C(=O)NN=Cc3cc(Cl)cc(Br)c3O)c(C)n2)cc1 2321218446 PFIUKCUSZAQTLV-UHFFFAOYSA-N 474.742 4.951 50 10 JJGE C[C@@H](Br)CN(C(=O)c1c(F)cccc1I)C1CCCC1 2368842135 OBEIEOLACMYBNW-SNVBAGLBSA-N 454.121 4.599 50 10 JJGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1cc(C)c(Cl)c(C)c1 14649715 YPUSODFKGVVUBI-UHFFFAOYSA-N 483.790 4.738 50 10 JJGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Cl)c1 38651151 TWFSRCNZACZIFJ-XMMPIXPASA-N 462.889 4.551 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(Cl)cc2Cl)c1[N+](=O)[O-])c1ccccc1Br 40650209 KBGURPAUMBVPNG-UHFFFAOYSA-N 498.124 4.955 50 10 JJGE O=C(Nc1ccccc1C(=O)N/N=C\c1c[nH]c2ccccc12)c1ccc(Br)cc1 73747842 QVCNXHMOYUXXJK-WGARJPEWSA-N 461.319 4.947 50 10 JJGE CNC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2c1CCCC2 102957812 WVYCFOZFYJXKKA-QINSGFPZSA-N 476.514 4.700 50 10 JJGE C[C@@H](NC(=O)/C(C#N)=C\NCCc1ccccc1Br)c1ccc2c(c1)CCCC2 217204755 CTGGLXCWPLFIGV-VULIGXMUSA-N 452.396 4.745 50 10 JJGE CC[C@](C)(CCBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 228584818 ZOSFWDFTKYFKSB-CYBMUJFWSA-N 492.071 4.752 50 10 JJGE CCOc1ccc(C=NNC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc1OC 254305596 KFXSTFYDHRVYQM-UHFFFAOYSA-N 488.660 4.789 50 10 JJGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2C)cc1 254738574 GYRPETJOGGIPMO-UHFFFAOYSA-N 465.594 4.921 50 10 JJGE Oc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc1Br 383435251 WXIOOPRSMNPICC-JKSUJKDBSA-N 472.164 4.805 50 10 JJGE CC1(C)CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C[C@H]1Br 387780065 JTOMETHDXSCYAA-SNVBAGLBSA-N 466.022 4.550 50 10 JJGE CC(C)[C@H]1CN(S(=O)(=O)c2cc(CCl)sc2Br)CCN1Cc1ccccc1 707657276 MDWHYHMELANOJB-QGZVFWFLSA-N 491.904 4.781 50 10 JJGE COc1cc(C=NNC(=O)c2cccs2)cc(I)c1OCc1ccccc1 1084059962 VBXQQCUYYBRAIG-UHFFFAOYSA-N 492.338 4.704 50 10 JJGE C#CCC1(O)CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)CC1 1153263025 WTZLUTBMUXNKBR-XMHGGMMESA-N 456.373 4.685 50 10 JJGE CCCCN1C(=O)C(=NNC(=O)COc2ccc3cc(Br)ccc3c2)c2cc(C)ccc21 1772719995 BTECICYCMLZKRY-UHFFFAOYSA-N 494.389 4.957 50 10 JJGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1C(=NNC(=O)c1ccco1)CCC2 1772747711 SQOPVWKKSWVGDJ-UHFFFAOYSA-N 456.296 4.666 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865687256 NEKVCNWWHOXYOM-DEOSSOPVSA-N 482.515 4.978 50 10 JJGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865708183 PYAJMVRGVXHGSS-QHCPKHFHSA-N 450.498 4.780 50 10 JJGE CC(C)[C@H](/C(O)=C(\C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1C(=O)c2ccccc2C1=O 1873941132 XSDSTGJZXCSLEG-HWCXCKHPSA-N 474.498 4.832 50 10 JJGE CC(C)(C)OC(=O)N[C@@H](CBr)Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 1885097105 ODWWONPMQXGULN-MRXNPFEDSA-N 455.393 4.815 50 10 JJGE CN(C[C@@H]1C[C@H]1Br)C(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 1910143715 PYYWEUSIBDGCIT-GXFFZTMASA-N 462.182 4.652 50 10 JJGE O=C(NCC[C@@H]1CCC[C@H]1Br)c1ccc(I)c(Cl)c1 1913722110 UJGUBZRLHGIARL-GXSJLCMTSA-N 456.549 4.628 50 10 JJGE Cn1cc(Br)c(C[C@@H](CBr)Cc2cccc(Br)c2)n1 2087325470 OGXXQPLKKFLJGN-NSHDSACASA-N 451.000 4.741 50 10 JJGE CSCC[C@H](Br)CCNC(=O)c1cccc(Br)c1Br 2092334279 GZJVMJZMZOTGSS-SECBINFHSA-N 474.056 4.848 50 10 JJGE CC(C)[C@H]1[C@H](Br)CCN1C(=O)c1cc(Br)ccc1Br 2126097409 FSNABYKPJHRVAJ-OLZOCXBDSA-N 454.000 4.846 50 10 JJGE O=C(N[C@@H]1CC[C@H]2C[C@]21CBr)c1cc(Br)ccc1Br 2132114909 HBGKQBNDRJQMAG-PELMWDNLSA-N 451.984 4.505 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@@H]2CCC[C@]2(CBr)C1 2159409066 PBDPVSTZYBIKSB-BONVTDFDSA-N 466.011 4.849 50 10 JJGE Fc1cc2nc(CCl)n(C[C@@H]3COCCN3Cc3ccccc3)c2cc1Br 2194649332 MEUMZNQVOJGWAA-OAHLLOKOSA-N 452.755 4.578 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@H]1CN(CCCCCI)CC1CC1 2214705114 NNNLDMMGKZLDGF-QGZVFWFLSA-N 450.405 4.703 50 10 JJGE BrC[C@@]12CCCO[C@H]1CN(Cc1cccc(Br)c1Br)C2 2239163360 PUAAPLNFDOMGHX-DZGCQCFKSA-N 468.027 4.588 50 10 JJGE CN(C(=O)Cc1cc(Br)cc(Br)c1)[C@@H]1CCC[C@@H]1Br 2277936489 XMBZHLXNFVMURR-QWHCGFSZSA-N 454.000 4.529 50 10 JJGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc(OCC)c(OCC)c(OCC)c2)c(OCC)c1 2293190754 WZHAEEMNSSDPNW-UHFFFAOYSA-N 497.544 4.971 50 10 JJGE CC1(C)CN(C(=O)c2ccc(Cl)cc2I)CC[C@@H]1Br 2340056078 WBDKVLGUZBPPIV-LBPRGKRZSA-N 456.549 4.580 50 10 JJGE CC1(C)[C@H]2CO[C@]1(CO[C@@H](CI)c1cccc(Br)c1)C2 2359842085 XHNMCRUNFIQBKW-INWMFGNUSA-N 451.142 4.757 50 10 JJGE CC(C)(C)[C@@](C)(CBr)CN1CCC[C@H](N(CC(F)F)C(=O)C(F)(F)F)C1 2380200272 SGFAZCIDLRYWRL-LRDDRELGSA-N 451.318 4.554 50 10 JJGE Cn1cc(C(=O)NN[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c2ccccc21 15501135 JLBAIMMMUINOHX-QFIPXVFZSA-N 466.463 4.812 50 10 JJGE O=[N+]([O-])c1ccc(OC[C@H](Br)[C@H](Br)c2cccc([N+](=O)[O-])c2)cc1 33353118 NQBPCVDHXBOJGT-LSDHHAIUSA-N 460.078 4.782 50 10 JJGE CCCCCCOc1ccc(/C=C2/C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1OC 38606587 VISFEEDHVFDUEB-LTGZKZEYSA-N 454.567 4.673 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1OCC 38679014 AHUIVRKDOVQIEH-SANMLTNESA-N 486.524 4.930 50 10 JJGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1 39858549 OGVXOVXEABEZGN-VKAVYKQESA-N 456.889 4.994 50 10 JJGE O=C(NNc1ncnc(Nc2cccc(Cl)c2Cl)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40646716 LVTVOWMHDBOYPA-UHFFFAOYSA-N 498.670 4.754 50 10 JJGE Cc1ccc(N(CC(=O)NN=Cc2ccccc2C(F)(F)F)S(=O)(=O)c2ccccc2)c(C)c1 254705817 DPSBKOIBEYVDTP-UHFFFAOYSA-N 489.519 4.668 50 10 JJGE Cc1ccccc1-n1c(SCC(=O)NN=Cc2ccc(C(F)(F)F)cc2)nc2ccccc2c1=O 254790288 BPKWKBKXUKDIBC-UHFFFAOYSA-N 496.514 4.955 50 10 JJGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=C(C(=O)c1ccccc1)c1ccccc1 254813176 DXOYYKQVNDAJRH-UHFFFAOYSA-N 459.505 4.558 50 10 JJGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=Cc1ccccc1F 254834928 NWISIUFYZVEWQM-UHFFFAOYSA-N 492.601 4.708 50 10 JJGE COc1ccc(OC)c(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2c(Cl)cccc2Cl)c1 254869844 LDCZZBUZYYCQMG-NRXAUUKCSA-N 498.366 4.932 50 10 JJGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CNCCN1S(=O)(=O)c1ccccc1 616604795 NVNDZMXIUHVFSU-QHCPKHFHSA-N 460.716 4.586 50 10 JJGE C[C@@H]1CCCN(C(=O)c2cc(Br)sc2Br)[C@H]1CBr 688621881 HYOJXBVHQAGNMQ-APPZFPTMSA-N 460.029 4.909 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2C[C@@H]2C(C)(C)C)CC1 705828852 SECPOPWUKNGGIS-GJZGRUSLSA-N 451.389 4.890 50 10 JJGE Cc1[nH]c2ccccc2c1C(=O)COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 761399434 UQMLJJHYKAACKP-XSFVSMFZSA-N 463.497 4.587 50 10 JJGE C=CCOc1c(Br)cc(C=NNC(=O)[C@@H](C)SCc2ccccc2)cc1OC 1084127506 IPCPDCBTSVPIBJ-OAHLLOKOSA-N 463.397 4.795 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2cc([N+](=O)[O-])ccc2Cl)C1 1614702769 VPALDCFXUDDOSD-RHSMWYFYSA-N 453.720 4.995 50 10 JJGE COc1cccc(O[C@H](C)C(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)c1 1772755854 HDPLGRDRCKNZNO-QGZVFWFLSA-N 483.362 4.954 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc2c(c1)OCCO2 1865697915 FMZNPPZOTCXPFF-QGZVFWFLSA-N 474.826 4.534 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccccc1C(=O)O)C(C#N)=C(N)O2 1865704108 NJISJADYUPQQCT-FQEVSTJZSA-N 466.900 4.593 50 10 JJGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706021 LUVODDDOHXETCN-LJQANCHMSA-N 470.316 4.927 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(OC)c1)C(C#N)=C(N)O2 1865706078 MYFWHRLWHCIGOV-NRFANRHFSA-N 468.916 4.609 50 10 JJGE CCOC(=O)c1sc(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)c(C(=O)OCC)c1C 1866129444 UEXNKDXSJFFVIC-GXDHUFHOSA-N 491.363 4.718 50 10 JJGE N#CSc1ccc(NC(=O)c2cc(O)c3cc(I)cc(F)c3n2)cc1 1866528834 CAAAZSZYGLQVSG-UHFFFAOYSA-N 465.247 4.510 50 10 JJGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H](CS(=O)(=O)c3ccccc3)C2)n1 1868480324 KVXHAPQFNVKEOM-IBGZPJMESA-N 479.631 4.792 50 10 JJGE Cc1sc(C(=O)N[C@@H](CCBr)COCc2ccccc2)cc1Br 1902792935 PVNKHMMNBGNBPG-AWEZNQCLSA-N 461.219 4.919 50 10 JJGE CC(C)[C@@H](CBr)N(Cc1ccccc1)c1ncncc1I 1915296374 SYOXFTNXYJXFBF-OAHLLOKOSA-N 460.157 4.507 50 10 JJGE O=C(N[C@H]1CC[C@@H](CBr)CC1)c1scc(Br)c1Br 2054702420 AMQPRTNUHUKYRC-OCAPTIKFSA-N 460.029 4.957 50 10 JJGE O=C(N[C@H]1CCC[C@H]1CCCl)c1cc(Br)ccc1I 2090559307 JHTIKFSRPQEEPZ-ZANVPECISA-N 456.549 4.581 50 10 JJGE CC(C)[C@H]1[C@@H](Cl)CCN1C(=O)c1ccc(Br)cc1I 2142279667 STGNNGLMCXTKDW-AAEUAGOBSA-N 456.549 4.532 50 10 JJGE CCCN1CCC[C@H]([C@@H](Cl)c2cc(Br)sc2Br)S1(=O)=O 2145775580 HGDBFEKCVHHWQQ-KOLCDFICSA-N 465.660 4.757 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@H]2[C@H](Br)CCC[C@H]2C1 2150960419 DSQFHWOWANWSAI-HBNTYKKESA-N 466.011 4.847 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1[C@H](CCl)C[C@@H]2CCC[C@H]21 2164649898 XCRAOLVVELCOSP-NURSFMCSSA-N 468.560 4.676 50 10 JJGE CC[C@@H](Br)[C@H]1CCCCN1C(=O)c1cc(I)ccc1F 2170618319 QBSANBLSVGBQRB-TZMCWYRMSA-N 454.121 4.599 50 10 JJGE CC(CBr)(CBr)NC(=O)c1cc(Br)cc(C(F)(F)F)c1 2172407513 HCJOMGRWDSZGMO-UHFFFAOYSA-N 481.932 4.746 50 10 JJGE O=C(N[C@H](CCl)[C@@H]1CC=CCC1)c1ccc(I)c(Br)c1 2196139902 HSOLJYDAMPGECB-QMTHXVAHSA-N 468.560 4.747 50 10 JJGE Cc1c(Br)cnc2c1nc(CCCl)n2C[C@H]1CC1(Br)Br 2233041478 UAINNMSYXBCDPO-MRVPVSSYSA-N 486.433 4.790 50 10 JJGE CC1(C)C[C@@H](Br)CCN1C(=O)c1ccc(Cl)c(I)c1 2268350266 BQCHUASDORQAEW-JTQLQIEISA-N 456.549 4.723 50 10 JJGE Brc1ccccc1[C@@H](CI)OC1(C2CCCC2)COC1 2288591377 VWHWNFKCIXIYJX-OAHLLOKOSA-N 451.142 4.901 50 10 JJGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OC)c(Br)c2)c(OC)c1 2314729242 ZTKPXSLJFRMWEA-UHFFFAOYSA-N 486.318 4.555 50 10 JJGE CCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)cc1 2314741028 SRSIATLZKZBTPV-UHFFFAOYSA-N 472.497 4.529 50 10 JJGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)c1 2331325417 XWEMSZFCHLGBKF-UHFFFAOYSA-N 468.447 4.902 50 10 JJGE ClC[C@]1(CNCc2ccc(I)c(Br)c2)CC12CCC2 2349851548 DKSHVVVUJDXWDR-HNNXBMFYSA-N 454.577 4.943 50 10 JJGE Cn1ncc([C@H](Br)c2cc3c(cc2Br)OCCC3)c1Br 2369641556 ZYKNZDAQZASIDM-CYBMUJFWSA-N 464.983 4.754 50 10 JJGE Cc1ccc(N(C(=O)NC(=O)Nc2ccc(C=C(C#N)C#N)cc2)S(=O)(=O)c2ccccc2)cc1 3178620 WVOZLEQXMIEEOS-UHFFFAOYSA-N 485.525 4.563 50 10 JJGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 10683117 AEJIKJZLWFQTAL-IERDGZPVSA-N 474.001 4.886 50 10 JJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(OCCOc2ccccc2)cc1 14039491 ZHMZYXOXCRNPNY-MRXNPFEDSA-N 489.355 4.680 50 10 JJGE CC(C)Oc1ccc(C(=O)NNC(=O)c2ccccc2OCc2ccccc2)cc1Br 14658964 UQDHSTVSEUNARE-UHFFFAOYSA-N 483.362 4.890 50 10 JJGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812046 IZDDGLRSLSEUFC-OVVQPSECSA-N 451.910 4.978 50 10 JJGE CCCc1ccc(OCC(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 40846312 FTLXATZFQJMXIH-GNVQSUKOSA-N 461.949 4.739 50 10 JJGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cc(OCC)c(OCC)c(OCC)c2)c(OC)c1 98026980 VANTVPOOFNKILD-UNOMPAQXSA-N 483.517 4.581 50 10 JJGE C[C@@H]1Cc2ccccc2N1/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216504818 SLEYNDKABXTLMF-ARFXMCQGSA-N 462.597 4.779 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1[C@H]2CC[C@H]1CC(Br)C2 232458172 QTRMDCPXCXNUJF-QWRGUYRKSA-N 451.984 4.742 50 10 JJGE C[C@H](N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 244148757 UTQCVMLLJMWEHS-MNWJQILNSA-N 468.645 4.742 50 10 JJGE CC(=NNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)c1ccc2c(c1)CCCC2 254516817 BMPBGXIGDBBNQS-UCQUWWKMSA-N 481.552 4.605 50 10 JJGE CCCCOc1ccc(C=NNC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1OC 256017264 ATZZVSHMFNELDK-UHFFFAOYSA-N 459.568 4.757 50 10 JJGE C[C@H](Br)C[C@H](C)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 398592079 QHKOCIMHRSAYTC-YUMQZZPRSA-N 468.038 4.844 50 10 JJGE FC(F)(F)Oc1cc(Br)cc(I)c1CBr 575692076 UTKHITBYNWTUNK-UHFFFAOYSA-N 459.825 4.847 50 10 JJGE ClCCCCCc1cn(-c2ccc(I)c(Br)c2)nn1 686284727 FAPKLJLUZQVVBK-UHFFFAOYSA-N 454.537 4.586 50 10 JJGE Cn1cc(Br)c([C@@H](Br)c2cc(Br)c3c(c2)CCCO3)n1 693050714 FAPZFGWVJDOQIP-LBPRGKRZSA-N 464.983 4.754 50 10 JJGE O=C(NN=Cc1cccc(O)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084134788 DPUDUXDILFRHCM-UHFFFAOYSA-N 482.196 4.581 50 10 JJGE CCCCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CC=C(C#N)CC3)c2)cc1 1558953850 FLIOFKLGASJLTM-UHFFFAOYSA-N 457.983 4.779 50 10 JJGE C=CCn1cc2ccc(NC(=O)NNc3ccc(-c4cccc(C(F)(F)F)c4)nn3)cc2n1 1675017784 LZHPHZMVARMHTF-UHFFFAOYSA-N 453.428 4.847 50 10 JJGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2)c1ccccc1 1772748257 SZNXNEPXQUIQHK-UHFFFAOYSA-N 474.517 4.562 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1O 1865682604 SKRSENIQNLISDT-KRWDZBQOSA-N 494.832 4.675 50 10 JJGE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702415 VGVQNQIDDMYBPW-SFHVURJKSA-N 459.706 4.954 50 10 JJGE C[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1866840066 OUONRXOCYZWRTN-OSPHWJPCSA-N 477.561 4.649 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)c2cc(C3CC3)on2)cc1 1867152605 OQVFIHHUGXXTOQ-NRFANRHFSA-N 478.599 4.796 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1C 1873496335 MSBVYVMTLZCWOF-RWPZCVJISA-N 496.596 4.975 50 10 JJGE Cc1sc(CBr)cc1S(=O)(=O)N1CC[C@]1(C)CCOCc1ccccc1 1892700269 JOEZGRAPOKHHOB-LJQANCHMSA-N 458.443 4.711 50 10 JJGE CC[C@H]1[C@@H](CBr)CCN1C(=O)c1cccc(Br)c1Br 2092328195 JFDYNPVMORJWBM-SKDRFNHKSA-N 454.000 4.847 50 10 JJGE O=C(NC[C@H]1CCC[C@@H](Cl)C1)c1ccc(Br)cc1I 2142284559 DVAHBUFSVVFRJD-GXSJLCMTSA-N 456.549 4.581 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@@H](Br)C(F)(F)CC1 2150019515 SGPNIKCUOHJASF-LLVKDONJSA-N 475.953 4.846 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H](CCl)C1)c1ccc(Br)cc1I 2207269177 POPOSYYRMKKPKH-GHMZBOCLSA-N 470.576 4.829 50 10 JJGE CC(C)(C)OC(=O)N1CC(N(CCCCCI)Cc2ccccc2)C1 2208959532 UKESHOQGXSAEIV-UHFFFAOYSA-N 458.384 4.713 50 10 JJGE Cc1cccc(C(=O)N2CCC[C@@H](CCCBr)C2)c1I 2234180911 DACOBRPSYSNLKS-CYBMUJFWSA-N 450.158 4.627 50 10 JJGE C=CCc1ccc(OCCOc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)c(OC)c1 2293403504 FHYDUEZWKBXQOJ-UHFFFAOYSA-N 488.540 4.706 50 10 JJGE COc1ccc(CCN2C(=O)C(=CNc3ccc(Cl)cc3Cl)C(C)=C(C#N)C2=O)cc1 2314578811 CDJMZPDMQZTSSM-UHFFFAOYSA-N 456.329 4.749 50 10 JJGE CNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C)c(C)c1 2314592720 AHSJNOPEVPSVAM-LJQANCHMSA-N 460.386 4.783 50 10 JJGE CCN(C[C@](C)(CI)OCC1(C(C)(C)OC)CC1)C(=O)OC(C)(C)C 2320554279 YZMCBUJVWIABOC-SFHVURJKSA-N 469.404 4.659 50 10 JJGE C[C@@H](NC(=O)C(C#N)=CNc1ccc(I)cc1)C12CC3CC(CC(C3)C1)C2 2324904494 UNIAYJCFMKDNGJ-XSXQVXRUSA-N 475.374 4.832 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)CCN3C(=O)c4ccccc4C3=O)n2)c(C)c1C 2331361464 VZWHPUORBYKUNG-UHFFFAOYSA-N 459.527 4.915 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2CC(Br)C[C@@H](C2)C1 2364254121 LQHKKVCWBAMRIN-NXEZZACHSA-N 466.011 4.847 50 10 JJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 12488185 WWIUORDZDKPOMG-UHFFFAOYSA-N 498.215 4.658 50 10 JJGE N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cc(Br)ccc2F)[C@@H]2CN(Cc3ccccc3)CC=C12 33677285 WIDKRPLOYROFNZ-GGAORHGYSA-N 488.364 4.514 50 10 JJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1 38658291 AJKQOLUUBXPHNT-DEOSSOPVSA-N 469.453 4.597 50 10 JJGE CCCCOc1ccc(/C=N/NC(=O)Nc2sc(C(C)=O)c(C)c2C(=O)OCC)cc1OC 40847025 LDUSGEREEPGGDA-ZMOGYAJESA-N 475.567 4.779 50 10 JJGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OC 58895213 FUHYMOFAJSRMRP-BABSMXRMSA-N 475.383 4.549 50 10 JJGE CCOc1cc(OCC)c([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 169890192 UGEVATBVUGGXOC-QFEZKATASA-N 450.495 4.516 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)c(OC)c1 205646911 WWONPJJTYQQQGT-KYJNCLHHSA-N 468.509 4.849 50 10 JJGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 206415908 YMAJBDXCYSQOEQ-MNDPQUGUSA-N 452.466 4.789 50 10 JJGE COc1ccc(CC(=O)Nc2ccc(C(C)=NNC(=O)COc3ccc4ccccc4c3)cc2)cc1 252628002 SGCPCSYDXDLHMT-UHFFFAOYSA-N 481.552 4.949 50 10 JJGE CN([C@H]1CCCC[C@H]1Br)S(=O)(=O)c1cc(Br)ccc1Br 252925459 MQYHIVRKHFGDDC-PWSUYJOCSA-N 490.055 4.538 50 10 JJGE C[C@@H](Sc1nnc(-c2ccc3ccccc3c2)n1-c1ccccc1)C(=O)NNC(=O)C1CCC1 253568444 LFPQTSQCMZNUDC-QGZVFWFLSA-N 471.586 4.516 50 10 JJGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)cc2)cc1 254529025 UUPUXYGGQCCWIF-UHFFFAOYSA-N 481.593 4.621 50 10 JJGE Cn1ncc([C@H](Cl)c2cc(Cl)c(Br)cc2F)c1I 379142843 BOFIJTGTWJCWJX-SNVBAGLBSA-N 463.903 4.908 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CCCC[C@H](CBr)C1 696786889 SYSSMURFPNQEGD-SNVBAGLBSA-N 456.549 4.582 50 10 JJGE Cc1ccc(S(=O)(=O)OC[C@@H]2CO[C@@](CCl)(c3ccc(Cl)cc3Cl)O2)cc1 888085562 QRZGBKXOQYURPY-KBXCAEBGSA-N 451.755 4.514 50 10 JJGE Cc1ccc(S(=O)(=O)OC[C@H]2CO[C@](CCl)(c3ccc(Cl)cc3Cl)O2)cc1 888085563 QRZGBKXOQYURPY-KDOFPFPSSA-N 451.755 4.514 50 10 JJGE Cc1c(C=NNC(=O)CC[C@@H](O)c2ccccc2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 1083952300 QTCXRUPUJUBOIL-AREMUKBSSA-N 470.529 4.870 50 10 JJGE COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=NNC(=O)c2ccccc2Br)c1C 1083991464 PCZYQSSMPDQRQY-UHFFFAOYSA-N 471.311 4.537 50 10 JJGE COc1ccc(COc2ccc(C=NNC(=O)CCCNc3ccc(Br)cc3)o2)cc1 1084185556 FTDDEERKUKOUOT-UHFFFAOYSA-N 486.366 4.972 50 10 JJGE CCCCCN1C(=O)C(=NNC(=O)COc2ccc(Cl)c(C)c2)c2cc(Br)ccc21 1772752391 DJCMRYFJWDBGHY-UHFFFAOYSA-N 492.801 4.847 50 10 JJGE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687802 ATCFDZSIWPWJAO-AREMUKBSSA-N 493.567 4.678 50 10 JJGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cc(Cl)ccc1O)C(C#N)=C(N)O2 1865689128 KPSXUOGLADTUAW-GOSISDBHSA-N 471.742 4.774 50 10 JJGE Cc1ccc(-c2ccc(C(=O)NNC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c(C)n2)cc1 1865757575 JZEQHXZKTDRPQZ-HNNXBMFYSA-N 458.345 4.901 50 10 JJGE C[C@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)CC1=O 1872752913 YSXRJDODJQFSKW-MJLSSAHJSA-N 459.527 4.941 50 10 JJGE BrCC(CBr)(CC[C@@H]1COCCO1)c1cccc(Br)c1 1916660173 RNCMXIGSECFWRT-CQSZACIVSA-N 471.027 4.672 50 10 JJGE O=S(=O)(c1ccc(Br)c(CBr)c1)N(Cc1ccccc1)C1CC1 1984686954 LFGPEYYMRBEBPM-UHFFFAOYSA-N 459.203 4.697 50 10 JJGE CC[C@@H]1[C@@H](CBr)CCN1C(=O)c1c(Br)cccc1Br 2094090547 INDYOIALHIDIOV-BXKDBHETSA-N 454.000 4.847 50 10 JJGE O=C(N[C@@H]1CCC[C@@H](CCl)C1)c1ccc(Br)cc1I 2142284842 IJZMQNNNKQMAGY-MWLCHTKSSA-N 456.549 4.581 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N[C@H](C)C(C)(C)CBr)cc1Br 2146703228 OBJITKRMTHXJIB-SECBINFHSA-N 492.071 4.608 50 10 JJGE CC(C)(C)OC(=O)N[C@@H]1CN(C[C@@H](CBr)c2ccccc2)C[C@H]1C(F)(F)F 2163058048 HHQWNHYPANCEDV-BZUAXINKSA-N 451.327 4.553 50 10 JJGE CC(C)(C)OC(=O)NC1CC(C[S@](C)(=O)=NC[C@@H](CBr)c2ccccc2)C1 2172246799 KLPGWEQGGPAVKT-CPKGILERSA-N 459.450 4.566 50 10 JJGE CN(Cc1nn(C)nc1Br)c1c(CBr)ccc(Br)c1Cl 2235264187 DRWQZTKCGXOWBX-UHFFFAOYSA-N 487.421 4.525 50 10 JJGE Cc1cc(Br)cnc1C(=O)N(Cc1ccccc1)[C@H](CBr)C1CC1 2248978547 IGWCZNKCCVOQIL-QGZVFWFLSA-N 452.190 4.968 50 10 JJGE C[C@@]1(NC(=O)Cc2cc(Br)cc(Br)c2)CCC[C@@H]1Br 2277915688 DWBMYXXZAQNZCU-GXTWGEPZSA-N 454.000 4.576 50 10 JJGE BrC[C@@H]1CC[C@@H]2CN(Cc3ccc(Br)cc3Br)C[C@H]2O1 2289185933 JUPKFNFKPHYOTR-OSAQELSMSA-N 468.027 4.586 50 10 JJGE CC1CCN(c2ccc(C=C(C#N)c3nn(-c4ccccc4)c(N)c3C#N)cc2[N+](=O)[O-])CC1 2296737720 DMDXHODTFLSVNI-UHFFFAOYSA-N 453.506 4.535 50 10 JJGE COc1ccc(-c2ccc(C=C(C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)c([N+](=O)[O-])c1 2297306964 NBUJQRXXKPAALB-UHFFFAOYSA-N 468.809 4.971 50 10 JJGE N#CC(=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)N1CCN(c2ccccc2)CC1 2313545991 UQPHZRIZDFTSBE-UHFFFAOYSA-N 462.893 4.764 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1cccc(Cl)c1 2314737162 POUCSWGZTONACZ-UHFFFAOYSA-N 476.916 4.556 50 10 JJGE FC1(F)C[C@@]1(CBr)COCc1cc(I)ccc1Br 2326813442 LIUCIGQHKOKHJU-LLVKDONJSA-N 495.927 4.991 50 10 JJGE Clc1ccc(I)cc1CN1C[C@H]2C[C@H](Br)CC[C@H]2C1 2352418245 SGMLKTWBDOJMTN-DMDPSCGWSA-N 454.577 4.940 50 10 JJGE CC1(C)CN(C(=O)c2ccc(Cl)cc2I)C[C@@H]1CCBr 2365592787 PUSJUQPTAGOEDP-JTQLQIEISA-N 470.576 4.828 50 10 JJGE C[C@H](Br)CN(C(=O)c1cccc(F)c1I)C1CCCC1 2368848585 YXLYQORUNZHLAK-JTQLQIEISA-N 454.121 4.599 50 10 JJGE O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 3224830 YAFDFLFYODHTGZ-ZCTHSVRISA-N 490.563 4.601 50 10 JJGE CCC(C)(C)c1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 8905725 QIVRWRIGXQCXKB-AWEZNQCLSA-N 453.366 4.675 50 10 JJGE CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 9872498 WSGVFUCSWRSRAJ-WOJBJXKFSA-N 473.573 4.989 50 10 JJGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)c1cc(Br)ccc1OC(C)C 14667926 VYQKFLXOHUUIES-HNNXBMFYSA-N 463.372 4.590 50 10 JJGE O=C(/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1)NN(Cc1ccccc1)c1ccccc1 32256876 SDHUOQDWSQOGOG-OBGWFSINSA-N 487.581 4.509 50 10 JJGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)c1 38684853 KMBFSDBAPFOYLC-RUZDIDTESA-N 476.916 4.941 50 10 JJGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc(OC)c3)ccc21 40529694 HPAYKGPHSJZRLQ-VWLOTQADSA-N 456.498 4.921 50 10 JJGE Cc1c(C(=O)Oc2ccccc2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823299 SUMLJZSOKHEPTC-KVSWJAHQSA-N 480.336 4.797 50 10 JJGE CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1 40884577 LXHCQEOZFMZNBZ-KGOILNEASA-N 486.524 4.919 50 10 JJGE O=C(CCc1ccccc1O)N/N=C/c1ccc(SCC(=O)Nc2ccc3ccccc3c2)o1 59382217 BUGCMXDXXYLSAV-JVWAILMASA-N 473.554 4.952 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N(C)[C@@H]2CCCC[C@@H]2Cl)cc1Br 158230536 RPATVDLVPOZEJB-QWHCGFSZSA-N 459.631 4.691 50 10 JJGE N#C/C(=C/Nc1ccccc1Sc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)O)c1 216954882 BLCWGWHCQTWNPF-NXVVXOECSA-N 451.529 4.543 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CCC[C@H](CCBr)C1 232461002 FIRHIUIMKTUVMZ-SNVBAGLBSA-N 454.000 4.849 50 10 JJGE Cc1cccc(OCC(=O)NN=C2C(=O)N(CCOc3ccc(C(C)(C)C)cc3)c3ccccc32)c1 245263840 BELVIJLVHCBTGY-UHFFFAOYSA-N 485.584 4.617 50 10 JJGE CCOc1ccc(Br)cc1C=NNC(=O)[C@H](C)Oc1ccc(Br)cc1 252601270 DYXVNXCTHBMRKO-LBPRGKRZSA-N 470.161 4.528 50 10 JJGE COc1ccc(Br)cc1C=NNC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1 252611493 IJWNWERQAQNHCU-UHFFFAOYSA-N 469.335 4.882 50 10 JJGE CC(C)C(=O)[C@H](Br)Cc1cc(Br)ccc1I 300896867 IQYQGJLRCDEXNR-SNVBAGLBSA-N 459.947 4.585 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2cccc(Br)c2)C1 382681434 CVNNEYXDGKIBKN-OCCSQVGLSA-N 466.157 4.835 50 10 JJGE C[C@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)c1nc(O)c2ccccc2n1 782093893 BDIKKGCRZVUKQV-HZGBGQKMSA-N 498.930 4.977 50 10 JJGE O=C(CCl)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1 953055115 CRLDVLGMBRDZLG-UHFFFAOYSA-N 454.226 4.539 50 10 JJGE Cc1c(C=NNC(=O)CC[C@H](O)c2ccccc2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 1083952306 QTCXRUPUJUBOIL-SANMLTNESA-N 470.529 4.870 50 10 JJGE COc1ccc(N2N=C(C#N)C3=C([C@@H](c4ccccc4)C(C#N)=C(N)O3)[C@H]2c2ccccc2)cc1 1088661347 XWPPYRQPYJXTOV-AZGAKELHSA-N 459.509 4.898 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)ccc1O 1865681517 PODQNAIXOJHLQQ-OAQYLSRUSA-N 468.916 4.609 50 10 JJGE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704787 DWUAXLCXJTUAII-VWLOTQADSA-N 492.535 4.881 50 10 JJGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 1865705559 ZAGQAZQYQVDJJL-VWLOTQADSA-N 478.508 4.627 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865708333 UHMNCCQHXYMQTL-QHCPKHFHSA-N 468.488 4.670 50 10 JJGE COc1cccc(-c2ccc(C(=O)NNC(=O)COc3ccc(C)cc3C(C)(C)C)c(C)n2)c1 1865758703 MUQZAMOBFJSSBV-UHFFFAOYSA-N 461.562 4.512 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@]2(CCC[C@H]2Br)C1 1918935539 FLQDXNJFJJEGAS-UKRRQHHQSA-N 466.011 4.991 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@]2(CC[C@@](C)(CI)O2)C(F)(F)CC1 2020326787 MJQVOGUURWZSSF-HOTGVXAUSA-N 459.315 4.786 50 10 JJGE CC[C@@H](C)[C@H](Br)CNC(=O)c1cc(I)ccc1Br 2029976408 CAKOOWBTBOPYPD-PRHODGIISA-N 488.989 4.593 50 10 JJGE FC(F)(F)c1c(I)c(CBr)nn1-c1cnccc1C1CC1 2078932309 IFQXQNPKWBDJHU-UHFFFAOYSA-N 472.046 4.663 50 10 JJGE C[C@H]1C[C@H](Br)[C@H](C)CN1C(=O)c1cc(Cl)ccc1I 2093112978 VYCKOFUXRPJVSS-PTRXPTGYSA-N 456.549 4.579 50 10 JJGE O=C(NC[C@@]12CCC[C@@]1(CBr)C2)c1scc(Br)c1Br 2142951149 XOTJBNFIUQDJCF-STQMWFEESA-N 472.040 4.958 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1[C@H](CBr)C[C@@H]2CCC[C@H]21 2164656798 QNXNXWPIODKXRN-NURSFMCSSA-N 468.560 4.723 50 10 JJGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCn3ncnc3C2)cc1Br 2165256791 BZXMPFJKDOYHGH-XPTSAGLGSA-N 463.999 4.810 50 10 JJGE CCC[C@H](CBr)CNS(=O)(=O)c1cc(Br)c(C)cc1Br 2177248945 NOHUCOCBCDBEFH-SNVBAGLBSA-N 492.071 4.610 50 10 JJGE C[C@@]12CC[C@@](CBr)(C1)N(C(=O)c1cc(Br)cc(Br)c1)C2 2199517110 ROLWTSZHVHNAJR-CABCVRRESA-N 466.011 4.991 50 10 JJGE O=C(c1ccc(Br)cc1I)N1C[C@H](Br)CCC12CC2 2227506806 SVAXQHDBICUGDD-SNVBAGLBSA-N 498.984 4.586 50 10 JJGE COc1cc(Br)c([C@H](Br)c2nn(C)cc2Br)cc1C 2227734518 ZLFUXAFMLYLXEK-LBPRGKRZSA-N 452.972 4.746 50 10 JJGE Cc1ccc(C(=O)N2CC[C@@H](Br)CC(C)(C)C2)cc1I 2232830830 NVOOYONRIZZMKA-CYBMUJFWSA-N 450.158 4.625 50 10 JJGE CS(=O)(=O)C1CC([C@H](Br)c2sc(Br)cc2Br)C1 2248982623 HGYDAUACWZEEND-BIFUPNIPSA-N 467.042 4.532 50 10 JJGE C[C@]1(NC(=O)Cc2cc(Br)cc(Br)c2)CCC[C@@H]1Br 2277915989 DWBMYXXZAQNZCU-JSGCOSHPSA-N 454.000 4.576 50 10 JJGE N#CC(=Cc1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)NCc1ccc2c(c1)OCO2 2295672229 DIEZFTYYBQPQNS-UHFFFAOYSA-N 460.873 4.511 50 10 JJGE Cc1ccccc1C[C@@H]1SC(=C(C#N)C(=O)NCCc2ccccc2)N(c2ccc(F)cc2)C1=O 2296834979 IRFNWHKFBUWFCT-VWLOTQADSA-N 485.584 4.919 50 10 JJGE N#CC(=Cc1cccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)c1)c1cccc(Cl)c1 2320506414 IZMXVIBKDFBZSZ-UHFFFAOYSA-N 456.885 4.996 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H]2CC[C@H]1[C@@H](Br)C2 2325303649 LIDBHIFNNWVHGY-XVYDVKMFSA-N 458.013 4.661 50 10 JJGE BrC[C@]1(Cc2ccc(I)c(Br)c2)O[C@H]2CC[C@H]1C2 2327566232 AUGQTKRKSCAGGO-MJVIPROJSA-N 485.985 4.929 50 10 JJGE COc1cc(C=C(C#N)c2nc3ccccc3n2C)ccc1OCC(=O)Nc1ccc(C)cc1 2331019785 YHSMDCWEAGQWJA-UHFFFAOYSA-N 452.514 4.972 50 10 JJGE CN(CC[C@H](Br)c1cccs1)S(=O)(=O)C1CC(OCc2ccccc2)C1 2340652026 QWNKPFSXPRQRTA-ABHNRTSZSA-N 458.443 4.584 50 10 JJGE COc1cc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)cc(OC)c1OC 9693360 VQWOKMOZDDHZOT-INIZCTEOSA-N 485.993 4.894 50 10 JJGE CCCCC/C(C)=N\NC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 20072550 IIRQFZWVLQWEAP-PRFTXADPSA-N 470.595 4.699 50 10 JJGE CCOc1c(Br)cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1OC 33406347 WLSGTHWXPOYQBC-DHDCSXOGSA-N 464.323 4.560 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1 38685709 XINIDRWOWGKKJP-AREMUKBSSA-N 456.498 4.596 50 10 JJGE Cc1ccc2cccc(Oc3ncnc(NNC(=O)C(c4ccccc4)c4ccccc4)c3N)c2n1 40752344 CLPINIFMOUQHBR-UHFFFAOYSA-N 476.540 4.983 50 10 JJGE Cc1cc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)ccc1C(C)C 40934709 SUQGDAIVXPTQNK-KGENOOAVSA-N 458.514 4.919 50 10 JJGE C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 59484822 AZHCAAPQVRGGDQ-OQLLNIDSSA-N 472.295 4.866 50 10 JJGE COc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 101336901 USKBSZIEYCGAMZ-WSDLNYQXSA-N 472.472 4.799 50 10 JJGE COCCOCCC(CBr)(CBr)c1cccc(Br)c1 118671904 PZNOSNKRPBSXHH-UHFFFAOYSA-N 459.016 4.530 50 10 JJGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1=O 214255354 PGIXODGYYNGARQ-PGECNJAHSA-N 481.512 4.838 50 10 JJGE O=C(NC[C@H]1CCCC[C@H]1Cl)c1cc(Br)ccc1I 236045018 PHLXJVIYBCGPHR-BXKDBHETSA-N 456.549 4.581 50 10 JJGE COc1cc(C=NNC(=O)COc2ccccc2C)ccc1OC(=O)c1ccc(Br)cc1 254742717 QRBHUHUIOFMOLE-UHFFFAOYSA-N 497.345 4.514 50 10 JJGE C[C@H](CBr)[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1I 696708865 DTKKZMBIILABDR-QMTHXVAHSA-N 470.576 4.970 50 10 JJGE BrCc1c(Br)cccc1N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 706660212 ZLXFHSMABADRQL-IRXDYDNUSA-N 450.218 4.912 50 10 JJGE CC[C@H](C[C@H](C)Br)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 716935466 PJEMFUYJIXOIBF-IONNQARKSA-N 468.038 4.986 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCOc3ccccc32)c(-c2ccc(Cl)cc2)n1 731171127 CTEYCWGXIFXNHG-QIYXJHPLSA-N 471.948 4.707 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)NCc2ccc(N3CCCC3)cc2)c(-c2ccc(Cl)cc2)n1 915198244 GMRVXPKYVFGGLB-JWGURIENSA-N 484.991 4.941 50 10 JJGE N#C/C(=C\c1cc(Br)c(N2CCCC2)o1)C(=O)Nc1cccc(Br)c1 1084057189 WVNPQPMADDMMDT-XYOKQWHBSA-N 465.145 4.950 50 10 JJGE COc1ccc(C(=O)NN=Cc2c(Br)c(C)n(-c3ccccc3C)c2C)cc1OC 1084201934 AWMQWYDKTYBMHD-UHFFFAOYSA-N 470.367 4.946 50 10 JJGE CCc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744968 NQXQAYFJAFZTNJ-UHFFFAOYSA-N 460.490 4.781 50 10 JJGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3[nH]2)c1OCc1ccccc1F 1772760586 WYXYQQJVMTUNCR-UHFFFAOYSA-N 464.522 4.532 50 10 JJGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)cc1O)C(C#N)=C(N)O2 1865681249 IRRUOVNVGJMLGH-LJQANCHMSA-N 457.317 4.761 50 10 JJGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OC(=O)c2ccccc2)c(OC)c1 1865705542 YTGPTMBOGBURSQ-IBGZPJMESA-N 498.461 4.758 50 10 JJGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865706708 CYXODTGPPVPEOC-JOCHJYFZSA-N 464.953 4.773 50 10 JJGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1scc(Br)c1Br 2042542311 IXHAPOAYXSSSBP-JVZYCSMKSA-N 458.013 4.565 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CCCCC[C@@H]1CBr 2094088600 MYWIPOKKPWOFEI-SNVBAGLBSA-N 454.000 4.991 50 10 JJGE O=S1(=O)C[C@@H]2CCC[C@@]2([C@H](Br)c2cc(Br)c(Br)s2)C1 2137224492 BMKBYJGOAQCXAJ-HNBZJPLGSA-N 493.080 4.924 50 10 JJGE O=C(N[C@H]1CCCC[C@H]1CCBr)c1ccc(F)cc1I 2146720605 UVJUXHHJTLOXTE-HZMBPMFUSA-N 454.121 4.504 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC2(CCC2)C[C@H]1CBr 2151490666 QMJFRKVCSUTLOT-JTQLQIEISA-N 466.011 4.991 50 10 JJGE C[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)CC[C@H]1CCBr 2172471010 BPXRYULXRBMAGG-GHMZBOCLSA-N 470.576 4.828 50 10 JJGE Brc1ccccc1[C@@H](CI)OCCN1CCCCCC1 2175843686 UZLLYJOOVNDDTN-MRXNPFEDSA-N 452.174 4.818 50 10 JJGE C[C@@H]1COc2ccc([C@@H](Br)c3cc(I)sn3)cc2OC1 2176537429 IDKOCLQNIBAJDO-XLKFXECMSA-N 466.138 4.639 50 10 JJGE CC1(C)CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)ccc1Cl 2179790844 JKKRFNVARLGUTH-UHFFFAOYSA-N 471.848 4.520 50 10 JJGE CC(C)(C)OC(=O)N1CCCC[C@H]1CN(CCCCCI)C1CC1 2214705640 VGHDASXAKJAJJO-KRWDZBQOSA-N 450.405 4.846 50 10 JJGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@H]1CCn2ncnc2C1 2233981512 JLHJXIHQANONJC-WPPNPWJKSA-N 467.962 4.641 50 10 JJGE Cc1ccc(I)c(C(=O)N2CC(C)(C)CC[C@H]2CBr)c1 2240925620 PRZNXWMTRNSAML-LBPRGKRZSA-N 450.158 4.625 50 10 JJGE COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=Cc1cc(Br)c(O)c(OC)c1 2297381687 ISWIZIFLGNTNNU-UHFFFAOYSA-N 451.704 4.679 50 10 JJGE CCOc1cc(C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCC(C)C 2314616717 ICDKHZZDJYYPSG-UHFFFAOYSA-N 458.558 4.955 50 10 JJGE CCOc1ccccc1C(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccccc2)cc1OC 2314737276 VOTUHWNTSRKIPS-UHFFFAOYSA-N 456.498 4.536 50 10 JJGE Cn1cc(I)c(CC(CBr)(CBr)C2CCCC2)n1 2319228225 IFJWACFQIURKGG-UHFFFAOYSA-N 490.021 4.534 50 10 JJGE N#CC(=Cc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1I 2329638760 HGVMLHUUSPIVBU-UHFFFAOYSA-N 471.067 4.738 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@H]2C[C@]1(CBr)C2 2361708170 HGVSKZUHIRNKDB-AVCCJPFPSA-N 466.011 4.530 50 10 JJGE Cc1nn(C)c(N(C)Cc2c(Br)cccc2Br)c1CBr 2366184998 PSSDHHASUJWFPW-UHFFFAOYSA-N 466.015 4.785 50 10 JJGE N#C/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 954234 FFVAWVGZZZXPCW-NVNXTCNLSA-N 469.320 4.950 50 10 JJGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c1 12488069 OYHYPTIJIFKDPZ-UHFFFAOYSA-N 459.546 4.519 50 10 JJGE Cc1ccccc1O[C@H](C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 13994231 GIYUAHKBLHMJHJ-LJQANCHMSA-N 473.573 4.773 50 10 JJGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(F)cc1 38653025 PVNCREXTDUNZDX-XMMPIXPASA-N 464.880 4.990 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@H]1c1ccccc1Cl 38687596 BNODFDXXHYMIOZ-HSZRJFAPSA-N 470.868 4.884 50 10 JJGE COC(=O)/C(C#N)=C/c1cccc(OC(=O)COc2ccc(Br)cc2C(C)(C)C)c1 40934507 LSXQBZLLAGAOBH-MHWRWJLKSA-N 472.335 4.811 50 10 JJGE CCOOC1=NN(c2ccccc2)[C@]2(NN=C(Cc3ccccc3)N2Cc2ccccc2)S1 104958686 ZXSSYDSZARKHOK-RUZDIDTESA-N 459.575 4.752 50 10 JJGE O=C(NC[C@H]1CCC[C@@H]1CBr)c1cc(Br)ccc1Br 161227960 HVOOCCOLHNNOMH-NXEZZACHSA-N 454.000 4.753 50 10 JJGE N#C/C(=C/NCCc1ccc(Cl)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216510515 NTCKAECMYPFAHC-ROMGYVFFSA-N 485.031 4.813 50 10 JJGE O=C(Oc1ccccc1C=NNC(=O)c1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2 252626051 QVCXUXOCZXJUKT-UHFFFAOYSA-N 457.269 4.705 50 10 JJGE CCC(=NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(OC(F)F)cc1 254352698 VVGSJYXUBKXTOG-UHFFFAOYSA-N 479.530 4.694 50 10 JJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cc4ccccc4cc3O)cc2)cc1OC 254478482 HYTBQQLKIDSLOU-UHFFFAOYSA-N 470.481 4.546 50 10 JJGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3OC)nnc2-c2ccccc2)cc1 254579627 YIFHEMOQEYKCIL-UHFFFAOYSA-N 487.585 4.584 50 10 JJGE C[C@H](Sc1nnc(CNc2ccccc2)n1-c1ccccc1)C(=O)NN=Cc1ccc(F)cc1 254751229 AZMLUNFHHQPNPP-SFHVURJKSA-N 474.565 4.649 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H](CCl)C1)c1cc(I)ccc1Br 312507907 RQGNGCUFJNZGEI-GHMZBOCLSA-N 470.576 4.829 50 10 JJGE CC(=O)N(N=Nc1ccc(I)cc1)c1ccc(I)cc1 1084540915 LRFYAEOYCHRUMF-UHFFFAOYSA-N 491.070 4.948 50 10 JJGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681459 NSKYQLBHSCVPQL-QFIPXVFZSA-N 486.915 4.831 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865683946 RAXFPEQSXMLOIS-RUZDIDTESA-N 477.568 4.891 50 10 JJGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)cc1 1865706759 FAZHEDJTONGSTI-LJQANCHMSA-N 453.468 4.684 50 10 JJGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711454 YYOYNORYEPMNTR-JOCHJYFZSA-N 480.952 4.722 50 10 JJGE C[C@H](NC(=O)CCc1nc(-c2ccc(F)cc2)cs1)C(=O)Nc1ccc(SC#N)cc1 1867065086 GECOJJYLPBJFKZ-AWEZNQCLSA-N 454.552 4.598 50 10 JJGE Cn1ncc([C@@H](Cl)c2sc(Cl)cc2I)c1I 1901025761 JPXJUARKYHZFNO-SSDOTTSWSA-N 498.942 4.672 50 10 JJGE C[C@H](CBr)N(Cc1ccccc1)C(=O)Cc1ccccc1I 1914193962 QJVZMOXHRYGQRU-CQSZACIVSA-N 472.164 4.646 50 10 JJGE O=S(=O)(c1ccc(Br)s1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915167229 UXQFQRRKKPAURF-CQSZACIVSA-N 479.259 4.875 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@]2(CCC[C@H]2Br)C1 1918939999 PIJLAYDKFKLDBF-UKRRQHHQSA-N 466.011 4.991 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2014553629 NFGDMOLJUABACX-DLBZAZTESA-N 477.737 4.906 50 10 JJGE CC[C@H](C)[C@@H](CI)NC(=O)c1scc(Br)c1Br 2023028063 IDTGXNODSKQMSK-POYBYMJQSA-N 495.018 4.853 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H]2CC(Br)C[C@@H]2C1 2065403640 OROJHECBROUWFH-RNFRBKRXSA-N 458.013 4.519 50 10 JJGE C=CC[C@@](C)(CBr)CNC(=O)c1scc(Br)c1Br 2082048999 GGKJOXIHNRNFCE-LBPRGKRZSA-N 460.029 4.980 50 10 JJGE O=C(N[C@H]1CCC[C@H](CCl)C1)c1ccc(Br)cc1I 2142284843 IJZMQNNNKQMAGY-ONGXEEELSA-N 456.549 4.581 50 10 JJGE CC(C)CN1C[C@@H](Br)[C@@H](Cc2ccc(I)c(Cl)c2)C1 2142936565 JSBMMJYVKBWVGN-QWHCGFSZSA-N 456.593 4.838 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N[C@@H](C)C(C)(C)CBr)cc1Br 2146703229 OBJITKRMTHXJIB-VIFPVBQESA-N 492.071 4.608 50 10 JJGE C[C@H](CCCCCI)NC(=O)c1c(F)cc(Br)cc1F 2174525566 BQFAEGVRFKSRGE-SECBINFHSA-N 460.100 4.841 50 10 JJGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@@H]1C 2179816896 UUSQGPLTFWCMHF-XHSDSOJGSA-N 471.486 4.623 50 10 JJGE C[C@H]1[C@H](Br)C[C@@H](C)CN1C(=O)c1ccc(I)c(Cl)c1 2227594760 OIXYWSBZEAAHRE-WCABBAIRSA-N 456.549 4.579 50 10 JJGE CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@@H](CI)O2)C[C@@H]1C(F)(F)F 2252609898 TULSISOLTOZMEQ-YWPYICTPSA-N 463.278 4.691 50 10 JJGE C[C@@]1(CNC(=O)c2cc(I)ccc2Br)CCC[C@H]1Cl 2271304113 ZPCACEDBFGBYCU-OCCSQVGLSA-N 456.549 4.581 50 10 JJGE CC(C)CN(C[C@H](C)Br)S(=O)(=O)c1cc(Cl)c(Br)s1 2272440172 WUSHMGBGVHYVOM-QMMMGPOBSA-N 453.649 4.594 50 10 JJGE CN(C)CCCN(CCCCCCCCCBr)CCNC(=O)OC(C)(C)C 2280562505 AYDAKKPYEKNHPL-UHFFFAOYSA-N 450.506 4.890 50 10 JJGE COc1cc(F)cc([C@H](Br)c2ccc(OC)c(I)c2)c1 2285016532 YLUXTAIPDYELLI-OAHLLOKOSA-N 451.073 4.932 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=CC=Cc3ccccc3)n2-c2ccc(OC)cc2)cc1 2297507021 ZSUQEQLSMHTRAA-UHFFFAOYSA-N 499.596 4.859 50 10 JJGE CC1(C)OC[C@H](Cc2ccc(I)c(Br)c2)[C@H]1Br 2306216748 JLGNEAHMUZPZSU-JOYOIKCWSA-N 473.974 4.785 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)C=Cc1ccc(F)cc1 2314754371 QPWNIIUNBFKWHB-UHFFFAOYSA-N 460.461 4.660 50 10 JJGE C[C@H]1CN(Cc2ccc(I)c(Br)c2)CC[C@@H]1CBr 2325225458 GCOLUWVVWJYLSI-CMPLNLGQSA-N 487.017 4.907 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1C 2331260152 KJAQOSQHIGRHJK-UHFFFAOYSA-N 490.497 4.514 50 10 JJGE FC(F)(CI)C(F)(F)CNCc1ccc(Cl)cc1Br 2336535034 UTFHREYKEXDDFD-UHFFFAOYSA-N 474.461 4.898 50 10 JJGE CCN[C@@H](c1c(C)cc(Br)c(OC)c1Br)[C@@H]1C[C@@H]1Br 2339679122 KJJVBANZBHIYDL-VYUIOLGVSA-N 456.016 4.963 50 10 JJGE O=C(NC[C@H]1CCCC[C@@H]1Br)c1ccc(Cl)cc1I 2340054912 PQRVKCHYBPMIHJ-SKDRFNHKSA-N 456.549 4.628 50 10 JJGE C[C@]1(CCBr)CCN(C(=O)c2ccc(Cl)cc2I)C1 2340059648 WNDXGBIHMUJUIX-AWEZNQCLSA-N 456.549 4.582 50 10 JJGE CC1(NC(=O)c2ccc(Cl)cc2I)CCC(Br)CC1 2340064169 ORTCZOZKLLGIJL-UHFFFAOYSA-N 456.549 4.771 50 10 JJGE CC[C@H](C)c1ccc(S(=O)(=O)N[C@@H](CCBr)COCc2ccccc2)cc1 2369430681 HCPGCBVVYHXLFF-PXNSSMCTSA-N 454.430 4.849 50 10 JJGE CC(C)(C)OC(=O)NCC[C@H](N(C[C@]1(CBr)CC1(F)F)C1CC1)C(F)(F)F 2379985694 KANCZOYQHFDACU-SWLSCSKDSA-N 465.301 4.717 50 10 JJGE O=C(O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)o2)cc1 9324506 ZKJCNWCTUXXVKJ-FOKLQQMPSA-N 453.248 4.917 50 10 JJGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OCC)cc1OC 33378272 XYXMEWWUZDLSLV-VWDAIKGWSA-N 479.529 4.972 50 10 JJGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCOC)c1 35446752 DWBJJDSCXQXLGI-OQKWZONESA-N 458.562 4.778 50 10 JJGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1 38651467 PAOMSJJIFGYNGC-XMMPIXPASA-N 491.341 4.960 50 10 JJGE COc1ccc(Br)cc1/C=N/NC(=O)CSc1nc(-c2ccccc2)cs1 40924554 VAHODMGENCILIZ-UFFVCSGVSA-N 462.394 4.824 50 10 JJGE Cc1ccc(C(C)C)c(OCC(=O)N/N=C2/C(=O)N(Cc3ccccc3F)c3ccccc32)c1 59160730 YOXWWFJPUXHPCV-URGPHPNLSA-N 459.521 4.704 50 10 JJGE CC1(C)CC(=O)C/C(=N\NC(=O)COc2ccc3cc(Br)ccc3c2Br)C1 100062001 NGYZKCGGRIITEY-OEAKJJBVSA-N 496.199 4.995 50 10 JJGE COc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)ccc1OCCBr 105905605 YRUIWGBYMZOTRW-PMOKRTJVSA-N 491.411 4.668 50 10 JJGE COc1cc(OC)c([C@H](Br)c2ccccc2I)c(OC)c1 109849196 WUOPOICJWDCYCW-MRXNPFEDSA-N 463.109 4.801 50 10 JJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(O)c(OC)c2)sc2c1CC[C@H](CC)C2 209407036 UBNILXUPSWDJPS-FBKCMUNRSA-N 454.548 4.700 50 10 JJGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)C1=O 214215748 AUGIRHQBDUUUGN-HMAPJEAMSA-N 482.540 4.559 50 10 JJGE CC(C)CN(/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)CC(C)C 216503866 SACGAANTKTVURM-QYQHSDTDSA-N 458.650 4.942 50 10 JJGE C=CCOc1ccc(C=NNC(=O)CSCc2ccccc2Br)cc1OCC 252609547 HUGVKPHGBHBQIN-UHFFFAOYSA-N 463.397 4.796 50 10 JJGE O=C(NN=Cc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 254448912 PZHJWBLSAMZQHU-UHFFFAOYSA-N 466.197 4.876 50 10 JJGE COc1cccc(C=NNC(=O)c2csc(-n3nc(C(F)(F)F)cc3-c3ccccc3)n2)c1 254869540 KNDMWKDETCAJSO-UHFFFAOYSA-N 471.464 4.787 50 10 JJGE Oc1nc2cc([C@H](Br)c3nscc3Br)c(Br)cc2[nH]1 404793288 GJKQBPRHYWLBTL-VIFPVBQESA-N 467.968 4.734 50 10 JJGE O=C(CBr)c1c(C(F)(F)F)ccc(I)c1C(F)(F)F 575380639 GXQYMTJLSSMRPU-UHFFFAOYSA-N 460.937 4.906 50 10 JJGE C[C@@H](Br)[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1Br 688778018 QXOHBBIWASQVRX-RNCFNFMXSA-N 454.000 4.990 50 10 JJGE C[C@H](Br)[C@H]1CCCN(C(=O)c2ccc(I)c(Cl)c2)C1 689043491 LUVGLFPJJKEDLL-ONGXEEELSA-N 456.549 4.580 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc(C(F)(F)F)cc2)c(-c2ccccc2)n1 791185940 VZNITNXTCLYYHG-CPNJWEJPSA-N 478.430 4.816 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 1084016241 STKZLXVQTBAQNQ-HNNXBMFYSA-N 457.361 4.728 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1 1084024464 WPMQIGNIWUZVCR-RUZDIDTESA-N 477.517 4.536 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681275 JCVZBIINTMBXIV-QHCPKHFHSA-N 450.498 4.531 50 10 JJGE C[C@H](N)Cc1cc(Br)cc(Br)c1OC[C@H]1C[C@H](Br)C1 1887901785 SCYSOGLBYUZKMX-QXEWZRGKSA-N 456.016 4.654 50 10 JJGE Cn1ncc([C@@H](Br)c2sc(Cl)cc2I)c1Br 1900923916 GNPUVBYWIBWWBV-SSDOTTSWSA-N 496.393 4.986 50 10 JJGE C[C@@H]1CC[C@@H](CBr)N(c2ncc(C(F)(F)F)cc2I)C1 2166924475 UTIDYJHOCDMHOO-SCZZXKLOSA-N 463.079 4.705 50 10 JJGE Cc1nn(C)c(Br)c1[C@@H](Br)c1cc(Br)c2c(c1)CCO2 2185755217 ZTDXXOYKTGOCSL-LBPRGKRZSA-N 464.983 4.673 50 10 JJGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C[C@@H]1COCCN1Cc1ccccc1 2194649430 MOJLCKRMOWVJHN-CRAIPNDOSA-N 495.792 4.842 50 10 JJGE C=CC[C@]1(CCl)CCN(C(=O)c2cc(I)ccc2Br)C1 2287748842 VHUCPWWSOSPKHQ-OAHLLOKOSA-N 468.560 4.701 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)NC1(CCBr)CCCC1 2295308841 BJDUTEAMBLRDIS-UHFFFAOYSA-N 468.027 4.968 50 10 JJGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N2CCOCC2)cc1 2296731226 GGETULYJKSLRDT-UHFFFAOYSA-N 458.587 4.807 50 10 JJGE C[C@H](OC(=O)C(C#N)=Cc1ccc(N(C)C)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2297487111 HLNSKEJQGPGVCV-ZDUSSCGKSA-N 465.859 4.902 50 10 JJGE Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)NN=Cc1cn(Cc2ccccc2)c2ccccc12 2297604875 WLJDYDYAGFPIGA-UHFFFAOYSA-N 456.502 4.744 50 10 JJGE FC1CC(CBr)(COc2cc(Br)cc(I)c2)C1 2301130427 XGEDFKDATATRRC-UHFFFAOYSA-N 477.937 4.946 50 10 JJGE BrCC1(Cc2ccc(I)c(Br)c2)CCOCC1 2306221252 FYKVIZMREAWOJB-UHFFFAOYSA-N 473.974 4.788 50 10 JJGE CN(C(=O)OC(C)(C)C)[C@@]12CCC[C@@H](CN(CC(C)(C)CI)C1)C2 2306817846 DGWOLNQXRBMQGL-DNVCBOLYSA-N 450.405 4.559 50 10 JJGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OC(C)C)c(OC)c2)c(OC)c1 2314774434 LHMPYWOISHCYBW-UHFFFAOYSA-N 465.502 4.580 50 10 JJGE C=CCn1c(SCC(=O)NN=Cc2ccccc2)nc2scc(-c3ccc(C)cc3)c2c1=O 2320482175 AFRKBTURXDTVAT-UHFFFAOYSA-N 474.611 4.862 50 10 JJGE CC(C)(CI)CN1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 2326669892 RAIGYHQCRNKKAA-IAGOWNOFSA-N 464.432 4.807 50 10 JJGE C[C@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)CC1=O 2331330814 JAHHYKFLDXUQLL-APWZRJJASA-N 473.554 4.984 50 10 JJGE CS(=O)(=O)c1ccc([C@H](Br)c2sc(Cl)cc2I)cc1 2338558092 GGXYHXDNNIPTGB-NSHDSACASA-N 491.597 4.894 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@H]2CC[C@@H](Br)[C@@H]1C2 2355760433 GEEHCRIWBSPPJT-BREBYQMCSA-N 466.011 4.990 50 10 JJGE CC1(C)CC(CBr)(CN=S2(=O)CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)C1 2371145529 FKMFBQBNTGBBQK-UHFFFAOYSA-N 463.482 4.687 50 10 JJGE N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 1925093 FAHOGDQHRGGFGV-XMHGGMMESA-N 457.555 4.850 50 10 JJGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 10683688 JHYGJMHLHPPQMN-KBXCAEBGSA-N 497.817 5.000 50 10 JJGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1cccc2ccccc12 12583756 AQPPGIOLXVMTFB-SSDVNMTOSA-N 462.141 4.894 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)c1OC 38658725 WCLMIVDGPIFRIE-QFIPXVFZSA-N 462.889 4.795 50 10 JJGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OC)c1OC 38659006 JGRPAMKGXQBMBF-XMMPIXPASA-N 472.497 4.540 50 10 JJGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5cccnc5)c(C)c43)coc2c1C 40826704 JVIBQAGLUZMQLL-MWAVMZGNSA-N 470.529 4.998 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)N/N=C2\C(=O)N(C/C=C/c3ccccc3)c3ccccc32)cc1 59155501 LVXNGFXZFCMVTP-NANRHLLUSA-N 467.569 4.943 50 10 JJGE CCOc1ccccc1/C=C\C(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OC 207000696 OQVTXHBAAZARJQ-PIFYNPJRSA-N 472.497 4.529 50 10 JJGE CCCCCCC(=O)NN=Cc1cc(Br)cc(C=NNC(=O)CCCCCC)c1O 252620014 LVZHQHRAVKGAML-UHFFFAOYSA-N 481.435 4.996 50 10 JJGE COc1ccccc1OCC(=O)NN=Cc1c(OC(=O)c2cccc(C)c2)ccc2ccccc12 254817031 OHPXZCFERHSWEH-UHFFFAOYSA-N 468.509 4.905 50 10 JJGE CC1(C)C[C@H](Br)CCN(C(=O)c2ccc(I)c(Cl)c2)C1 395337976 KUYHVCWMGKTMNB-LLVKDONJSA-N 470.576 4.970 50 10 JJGE O=S(=O)(NCC1(CBr)CCC1)c1c(Cl)cc(Br)cc1Cl 717689154 AXOGGRKOCVMPQU-UHFFFAOYSA-N 466.022 4.599 50 10 JJGE O=C(NC1(CCBr)CCSCC1)c1ccc(I)c(Cl)c1 719666464 RQQHEPFFXORMQN-UHFFFAOYSA-N 488.616 4.725 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2cccnc2Cl)c(C)n1-c1ccc(F)cc1 729350408 AKQWLPYKYRXBQJ-JIHKLPAASA-N 466.900 4.759 50 10 JJGE Cc1cc(C)c(OCC(=O)NN=C2C(=O)N(C/C=C\c3ccccc3)c3ccccc32)c(C)c1 1084340306 NTHBXXPHFLSGNK-NAVXITLVSA-N 453.542 4.571 50 10 JJGE O=C(NN=C(CSc1nc2ccccc2o1)c1ccc(F)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084341762 FCMOSZWRZOECBT-UHFFFAOYSA-N 495.448 4.710 50 10 JJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2)c2cc(Cl)cc(Cl)c2)cc1 1084397044 IALVAUFNIAVOLL-UHFFFAOYSA-N 476.385 4.647 50 10 JJGE Nc1nnc(SCC(=O)NN=C(Cc2ccccc2)c2ccc(-c3ccccc3)cc2)s1 1084418294 DNBXYIKAIYJNBC-UHFFFAOYSA-N 459.600 4.643 50 10 JJGE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NNC(=S)Nc1ccc(OC(C)C)cc1 1651315938 YQCRPSWLUQUBML-OWBHPGMISA-N 453.486 4.794 50 10 JJGE O=C(COc1ccc(-c2ccccc2)cc1Br)NN=Cc1ccc([N+](=O)[O-])cc1 1772754055 JCLFDFQKIIBICR-UHFFFAOYSA-N 454.280 4.553 50 10 JJGE CCOc1ccc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc1OC 1772756545 PYSSBLGTLFWWOY-UHFFFAOYSA-N 469.763 4.656 50 10 JJGE COC(=O)c1c(-c2cc(C)ccc2C)csc1NC(=O)C(=O)Nc1ccc(SC#N)cc1 1860750170 HNYGQDHSFYPFSY-UHFFFAOYSA-N 465.556 4.969 50 10 JJGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)c1O 1865696839 RKSPWVOIZRSFLV-OAQYLSRUSA-N 495.377 4.552 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865699555 WUSXWUYNHMOGIK-QFIPXVFZSA-N 471.948 4.817 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccccc1C(=O)O 1865703945 JIQNZHWQTBECIJ-MRXNPFEDSA-N 492.816 4.659 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706256 RMNGAEOZDMNJQA-HSZRJFAPSA-N 497.486 4.872 50 10 JJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865715203 ZAGBGPUMWYRGEP-LJQANCHMSA-N 487.343 4.682 50 10 JJGE C[C@@H]1c2ccc(CNC(=O)/C(C#N)=C/c3cccc(Cl)c3)n2CCN1C(=O)OC(C)(C)C 1866129757 JSBXOPKIJQQIJZ-YAJBTMAUSA-N 454.958 4.677 50 10 JJGE CC[C@](C)(NC(=O)Cc1nc(-c2cccc(OC)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866675936 LISVSKHBGHACKE-VWLOTQADSA-N 478.574 4.698 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccccc2F)c(OC)c1 1873794614 QXKRMATUGYPHGI-XCCYOMQZSA-N 487.572 4.803 50 10 JJGE Cc1sc(C)c(C[C@H](Br)CN2C(=O)c3ccccc3C2=O)c1Br 1884177002 ORXMVTZPRGWJFV-NSHDSACASA-N 457.187 4.730 50 10 JJGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NCCSSCCNC(=O)OC(C)(C)C 1985347254 PNLGVRIOYJEYKI-RTBURBONSA-N 453.718 4.639 50 10 JJGE FC1(F)C[C@H](CBr)N(Cc2cc(Cl)ccc2I)C1 2041121599 KXZIIDWSEFWSMM-SNVBAGLBSA-N 450.492 4.549 50 10 JJGE COCCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2059291390 KPMZGZRFKMRSLW-UHFFFAOYSA-N 467.212 4.726 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC2(CC2)C[C@H]1CBr 2099153239 OYKFJZGACHMMGP-VIFPVBQESA-N 451.984 4.601 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CCC[C@](F)(CBr)C1 2101308873 UKMHSCWWFLBZGR-ZDUSSCGKSA-N 457.963 4.551 50 10 JJGE C[C@H]1C[C@@H](Br)CCN(C(=O)c2cc(Cl)ccc2I)C1 2103288841 VLKJLBOCZLGJRH-UWVGGRQHSA-N 456.549 4.580 50 10 JJGE O=C(c1sccc1I)N1C[C@H](Br)C2(CCCCC2)C1 2117746187 MFSMIXDRHSQDFE-NSHDSACASA-N 454.171 4.523 50 10 JJGE CCC[C@@H](Br)c1cn(Cc2ccc(I)c(Cl)c2)nn1 2142959134 UBHAWBLACBCJAN-SNVBAGLBSA-N 454.537 4.821 50 10 JJGE CCCN1CCC[C@H]([C@@H](Cl)c2scc(Br)c2Br)S1(=O)=O 2145766942 HOHTVYMAYYVFLA-MWLCHTKSSA-N 465.660 4.757 50 10 JJGE CC(C)(C)[C@@H]1[C@@H](Cl)CCN1C(=O)c1ccc(I)c(Br)c1 2185110213 YLWJXKLQNJGDGN-AAEUAGOBSA-N 470.576 4.922 50 10 JJGE C[C@@H](CBr)CC1CN(C(=O)c2csc(Br)c2Br)C1 2222958879 ZUKDMWCEUUZSKH-SSDOTTSWSA-N 460.029 4.766 50 10 JJGE C[C@@H](Br)[C@@H]1CCCN1C(=O)Cc1cc(Br)cc(Br)c1 2277916452 GMUHPCZYBSZIMZ-RNCFNFMXSA-N 454.000 4.529 50 10 JJGE O=C(COc1ccc(Cl)cc1[N+](=O)[O-])NN=Cc1ccc(-c2ccc(Br)cc2)o1 2297708049 AEKQQUSHYSIKLX-UHFFFAOYSA-N 478.686 4.800 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@](C)(F)C(C)(C)F)C1 2307652196 LYYJYYZNIRRVLP-IAGOWNOFSA-N 461.331 4.684 50 10 JJGE O=C(N[C@H]1CC[C@@H]2C[C@]12CBr)c1csc(Br)c1Br 2310666957 OHUIFKXMNGZIBF-UTMSNSNXSA-N 458.013 4.567 50 10 JJGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC)C(=O)C(C#N)=C2C)c1 2314617723 WTNQIBCMYOXQHB-UHFFFAOYSA-N 466.541 4.940 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccccc2C(C)(C)C)c(OC)c1 2314785121 NMJMJNLZJHLJNW-UHFFFAOYSA-N 464.562 4.800 50 10 JJGE Cn1cc(I)c(C[C@@H](CBr)c2cccc(Br)c2)n1 2319160270 WRKISDIXJDMDKS-JTQLQIEISA-N 483.973 4.508 50 10 JJGE COc1ccc(C=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC 2324522463 VFHKYIBRGBAERV-UHFFFAOYSA-N 467.569 4.545 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCC2CCC(C(F)(F)F)CC2)C1 2327996750 RJDOKAIYFCKEOD-CLRIEMFWSA-N 477.305 4.795 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1[C@H]2CC[C@@H]1[C@@H](CBr)C2 2329071786 SGOYMJATUXQIRW-DFAYQTQMSA-N 451.984 4.600 50 10 JJGE CC[C@]1(C)[C@H](Br)CCN1S(=O)(=O)c1cc(Br)ccc1Br 2361895142 JWGKXEOIPBTQQU-CHWSQXEVSA-N 490.055 4.538 50 10 JJGE Cc1nc(OCc2cc(I)ccc2Br)nc(C)c1CCl 2367272445 YQISBAOPUREGBC-UHFFFAOYSA-N 467.532 4.778 50 10 JJGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 10683129 AEJIKJZLWFQTAL-IIBYNOLFSA-N 474.001 4.886 50 10 JJGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1 14661701 GXZHJGUNWBTWRX-UHFFFAOYSA-N 497.636 4.625 50 10 JJGE CC(C)c1c(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cnn1-c1ccc(C(F)(F)F)cn1 32669089 GECKAXAGQNFLMQ-UHFFFAOYSA-N 489.542 4.777 50 10 JJGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)N2CCCCC2)c1 35549820 CZAMNXZTOARCCN-SILNSSARSA-N 456.546 4.838 50 10 JJGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(F)cc1 58887905 OBXADLOYHPUPIT-MPTKSEEOSA-N 450.510 4.767 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)cc2)cc1 59146428 KJMGNGLHTFCIHL-DHRITJCHSA-N 493.368 4.599 50 10 JJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC)C(=O)C(C#N)=C2C)cc1 101332418 BMFOKNVNQPSUJQ-HZHRSRAPSA-N 452.514 4.550 50 10 JJGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCC(CBr)CC1 147227814 JZAHRDBWLGXFAW-UHFFFAOYSA-N 466.022 4.552 50 10 JJGE C=CCOc1ccccc1CN1C(=O)C(=NNC(=O)COc2ccc(C(C)(C)C)cc2)c2ccccc21 245267001 LBJBUXWAGIZRPF-UHFFFAOYSA-N 497.595 4.995 50 10 JJGE COc1ccc(C(=O)Oc2cccc(C=NNC(=O)C(Oc3ccccc3)Oc3ccccc3)c2)cc1 254869189 BNHWZSAOTJBYCB-UHFFFAOYSA-N 496.519 4.849 50 10 JJGE CC(C)COC(=O)c1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)[C@H]2Br)C3(C)C)cc1 256019387 YHKCPKOKSXAOQF-URZJWIJPSA-N 450.373 4.597 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@H]2CC[C@@H](Br)[C@H]1C2 721566677 PHEPGTDWQAOUFT-GLXFQSAKSA-N 468.560 4.723 50 10 JJGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1ccccc1C#N 725430104 DHSCATJUAZDBEW-SANMLTNESA-N 483.568 4.838 50 10 JJGE O=C(NN=Cc1ccc(N2CCCCC2)cc1)c1cc(Br)c(O)c(Br)c1 1082937229 AODUZHSRXZOQEV-UHFFFAOYSA-N 481.188 4.671 50 10 JJGE C#CCOc1ccc(C=NNC(=O)c2ccc(N(CCC)CCC)cc2)cc1Br 1084107325 ALIDJAKOVYWTHN-UHFFFAOYSA-N 456.384 4.851 50 10 JJGE COc1cc(C=NNC(=O)c2ccccc2-n2cccc2)ccc1OCc1cccc(C(=O)O)c1 1084191247 CJSIOYVZFUSGIO-UHFFFAOYSA-N 469.497 4.527 50 10 JJGE C#CCOc1ccccc1CNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OCC)cc2)c1C 1126240355 MTIFNXPTZXHSDY-JJIBRWJFSA-N 453.542 4.728 50 10 JJGE CC(=O)c1cc(C(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(C(C)C)cc2)ccc1C 1293481941 VJQXAYFGURJSKO-UHFFFAOYSA-N 454.530 4.777 50 10 JJGE CC(=O)N1CCCCC[C@H]1C1CCN(CCP(=O)(c2ccccc2)c2ccccc2)CC1 1615451128 LNEXUXLGNPVXAK-MHZLTWQESA-N 452.579 4.504 50 10 JJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc1OCC 1865687851 BVWMNZQJRJXKKH-XMMPIXPASA-N 462.525 4.785 50 10 JJGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)cc(OC)c1O 1865696129 JZNRIIFGSKLFMT-SFHVURJKSA-N 481.350 4.655 50 10 JJGE C[C@H](Br)[C@H](NC(=O)c1cc(Br)cc(Br)c1)C(F)(F)F 1882651564 KMBHDOJFNSJITB-CDUCUWFYSA-N 467.905 4.656 50 10 JJGE C[C@H](Br)[C@@H](NC(=O)c1cc(Br)ccc1Br)C(F)(F)F 1882654019 ZNJBGSFSZHZFSL-SSDLBLMSSA-N 467.905 4.656 50 10 JJGE O=C(N[C@@H](CCBr)C(F)(F)F)c1csc(Br)c1Br 1918515332 MFLGXOIWIIEONQ-YFKPBYRVSA-N 473.934 4.719 50 10 JJGE CC(C)[C@H](Br)c1cn(-c2ccc(Br)c(I)c2)nn1 2057428752 GBWALQURFZHTCK-LBPRGKRZSA-N 484.961 4.726 50 10 JJGE O=C(NC[C@@]1(CBr)CC12CCC2)c1cc(Br)c(Br)s1 2097903974 LSGRATQVYMECKQ-ZDUSSCGKSA-N 472.040 4.958 50 10 JJGE CC(C)(C)[C@H](CBr)CNS(=O)(=O)c1cc(Br)ccc1Br 2146382660 AXJWSRFGRLXCTP-SECBINFHSA-N 492.071 4.547 50 10 JJGE CC(C)(C)OC(=O)N1CCN([S@@](C)(=O)=NCCCCCCCCCBr)CC1 2163057799 FGMHFNYNEGPQKH-MHZLTWQESA-N 468.502 4.678 50 10 JJGE O=C(c1scc(Br)c1Br)N1CC[C@](CCl)(C(F)(F)F)C1 2167675405 GXGLBKMQOCCTLQ-SNVBAGLBSA-N 455.521 4.907 50 10 JJGE Cc1ccc(C(=O)N2CC(C)(C)CC[C@@H]2CBr)cc1I 2232835095 YRUOKFWDJCTDBQ-CYBMUJFWSA-N 450.158 4.625 50 10 JJGE COc1cc(C)c(Br)c(C)c1[C@H](Cl)c1cnn(C)c1I 2285080027 PHWXQFQILZYRNK-CYBMUJFWSA-N 469.548 4.741 50 10 JJGE CCCOc1ccc(Br)cc1C=NNC(=O)c1cccc(I)c1 2297635590 WCUQXQHJJGHWKH-UHFFFAOYSA-N 487.135 4.606 50 10 JJGE Cc1ccc(C(=O)N[C@@H](CCBr)COCc2ccccc2)c(Br)c1 2303544430 CXZKRNBMCGMXMV-INIZCTEOSA-N 455.190 4.858 50 10 JJGE N#CC(=Cc1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)C(=O)Nc1ccccc1Cl 2314533633 SKULCGKVIDAWJJ-UHFFFAOYSA-N 460.852 4.825 50 10 JJGE COc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccccc3)cc2OC)c(OC)c1 2314737069 KFPQAUVKVQXNNG-UHFFFAOYSA-N 498.535 4.555 50 10 JJGE CS(=O)(=O)c1sccc1[C@H](Br)c1sc(Cl)cc1I 2316608027 YDHBXTUCPFVHCM-QMMMGPOBSA-N 497.626 4.955 50 10 JJGE BrC[C@H](Cc1ncc(I)cn1)c1ccccc1Br 2328041775 DWEZBDJMCSRYQP-VIFPVBQESA-N 481.957 4.565 50 10 JJGE COc1ccnc(OCc2ccc(Cl)cc2I)c1CBr 2365647787 NEZAYJXPZZPYLY-UHFFFAOYSA-N 468.516 4.822 50 10 JJGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)CCC(=O)Nc1cc(C)ccc1C 10683273 LYEBFVOYLXGJGR-PGRDOPGGSA-N 453.583 4.541 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1 38650339 BMEJFZCFRUMMSC-RUZDIDTESA-N 456.498 4.515 50 10 JJGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)o1 38659094 CHJUQWDMSVEGEA-HXUWFJFHSA-N 451.276 4.788 50 10 JJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)c1 38659719 DOLODVFCNVQFAO-QHCPKHFHSA-N 462.889 4.795 50 10 JJGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)c1 40529751 FAFKNFVNCFBZAI-XMMPIXPASA-N 471.469 4.821 50 10 JJGE O=C(NNc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccc(Cl)cc1 40646406 JLOAMAGPNWMMRA-UHFFFAOYSA-N 475.896 4.960 50 10 JJGE CC1=C(C(=O)N/N=C/c2cccc(Cl)c2)[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 59384946 QGDGUETZQVWNFK-OYCFWJGQSA-N 453.782 4.590 50 10 JJGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 101336333 PCHRXYHTUPZBJE-BUVRLJJBSA-N 462.521 4.812 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1[C@H]2CC[C@H]1CC(Br)C2 161197476 VZDBTTURXJXQIR-QWRGUYRKSA-N 451.984 4.742 50 10 JJGE O=C(NCCCCCCBr)c1cc(I)ccc1Br 232472532 FMPWEKGDXXCLOX-UHFFFAOYSA-N 488.989 4.739 50 10 JJGE O=C(c1cc(Br)ccc1I)N(CCCl)C1CCCC1 236018755 ULCOBKCEFKWNEO-UHFFFAOYSA-N 456.549 4.677 50 10 JJGE CCOc1cc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2cccnc2)cc(OCC)c1OCC 254872710 UGIPPDSLLHKRQI-UHFFFAOYSA-N 499.571 4.894 50 10 JJGE C=CCc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCC)cc2)cc1 263632826 XFOSLPGATUZIDF-UHFFFAOYSA-N 458.514 4.562 50 10 JJGE O=C(Nc1ccc(I)c(Br)c1)[C@@H](Cl)c1ccccc1 311685898 DMKMNVNFRFPQFN-ZDUSSCGKSA-N 450.501 4.972 50 10 JJGE O=C(N[C@@H](CCl)C1CCCC1)c1cc(Br)ccc1I 386174958 ZRUYOSMDDXJTRC-ZDUSSCGKSA-N 456.549 4.581 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2C[C@@H](Br)CC[C@H]2C1 398842258 PFKNBGSBNGWDSH-YIZRAAEISA-N 472.040 4.909 50 10 JJGE CC(C)(C)[Si](O[C@@H]1[C@H](O[C@@H]2CCCCO2)C[C@]2(C)OC(=O)C[C@H]12)(c1ccccc1)c1ccccc1 575229465 ITCXUQHEHRCVIZ-JSDAYJFFSA-N 494.704 4.569 50 10 JJGE CCn1nc(C)c2nc(CCCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c21 705605728 SELQCLKMMMBKRI-UHFFFAOYSA-N 478.040 4.814 50 10 JJGE COc1cc([C@@H](C)NC(=O)NNC(=O)c2cc(F)ccc2Br)ccc1OC1CCCC1 728743831 DHNRKSNTRFEHSU-CYBMUJFWSA-N 494.361 4.623 50 10 JJGE O=C(NN=Cc1cccc(I)c1)c1ccccc1OCc1ccccc1 1084220082 PEZIYVCXQLYWQG-UHFFFAOYSA-N 456.283 4.634 50 10 JJGE COc1cc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(F)cc1 1084478271 RNGWYUHQCCJQSY-UHFFFAOYSA-N 489.425 4.521 50 10 JJGE O=C(NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)C1CCCCC1 1084554639 KKGZNUBXPQIOAQ-UHFFFAOYSA-N 458.331 4.536 50 10 JJGE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1 1858684965 WIMYAVKKVPITLJ-INIZCTEOSA-N 464.478 4.878 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccc(Cl)cc1Cl 1865685950 OOPZASNEBFFLGI-AWEZNQCLSA-N 452.223 4.811 50 10 JJGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C#N)cc2C(=O)c2cccc(C)c2)cc1 1866213961 LTHIAHMZJTTYKJ-HZHRSRAPSA-N 465.509 4.669 50 10 JJGE CCOc1cc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCc1ccccc1F 1873794836 CORRUHAIUXAFSP-KQBIVOJMSA-N 485.556 4.653 50 10 JJGE C[C@@H](N)Cc1cc(Br)c(OC[C@H]2C[C@@H](Br)C2)c(Br)c1 1887900553 FQAILLCPXCLVNJ-IEBDPFPHSA-N 456.016 4.654 50 10 JJGE CC(C)(C)OC(=O)NCCCN(C[C@H]1C[C@@H]1Br)c1cccc(Br)c1 2020230372 NBMGEMYSMSUTLI-CJNGLKHVSA-N 462.226 4.954 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2CC[C@@]1(CBr)C2 2029249089 LRQQLPXUOJSKGJ-MADCSZMMSA-N 458.013 4.663 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@@H]2C[C@H](C[C@@H]2Br)C1 2045143016 VGIIUZJEVXDPRA-CSMHCCOUSA-N 458.013 4.519 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@@H]2C[C@@H](Br)CC[C@H]21 2143972702 HPNWTPGOSXVNOX-OLUVUFQESA-N 466.011 4.990 50 10 JJGE O=C(NC[C@@H]1CCCC[C@H](Cl)C1)c1cc(I)ccc1Br 2163753711 LQZSDJWBBLEJOV-MNOVXSKESA-N 470.576 4.971 50 10 JJGE CN(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(CBr)cc2Cl)C1 2179792859 LJIRFFBBQBHOSV-GOSISDBHSA-N 471.848 4.520 50 10 JJGE Cc1nn(CCBr)c(C)c1S(=O)(=O)N(Cc1ccccc1)[C@H](C)C(C)(C)C 2179860376 QSNFFSMZGYLRKT-QGZVFWFLSA-N 456.450 4.520 50 10 JJGE CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2cc(Cl)cc(CBr)c2Cl)C1 2179864087 WEYLSGMPRIAPLA-KRWDZBQOSA-N 492.266 4.783 50 10 JJGE O=C(NCC1CC(Br)C1)c1c[nH]c2cc(Br)c(Br)cc12 2196901372 JOBLWJJLMCJWDE-UHFFFAOYSA-N 464.983 4.596 50 10 JJGE O=C(NCc1ccc(CCl)cc1)c1ccc(Br)cc1I 2207270072 ZOCWHLUTPSFTIH-UHFFFAOYSA-N 464.528 4.723 50 10 JJGE CN(C(=O)c1cc(I)ccc1Br)[C@H](CCl)CC1CC1 2226154739 GDPXLWPYPILXFS-NSHDSACASA-N 456.549 4.533 50 10 JJGE CN(Cc1ccccc1I)c1nc(Cl)c(CBr)s1 2254365256 YREAZXFVYLDGKT-UHFFFAOYSA-N 457.562 4.932 50 10 JJGE CC(C)[C@H](Br)[C@@H](C)NC(=O)Cc1cc(Br)cc(Br)c1 2277923352 FICZGYCJMHBNCA-OTYXRUKQSA-N 456.016 4.678 50 10 JJGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ncc(Br)cc1Cl 2303541204 VSLIPVGNIJMOMB-AWEZNQCLSA-N 476.596 4.598 50 10 JJGE BrCCCN(Cc1ccc(I)c(Br)c1)C1CC1 2306219714 PIUNCDAHBRPXSY-UHFFFAOYSA-N 472.990 4.803 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1OC 2314634651 SXVOCCTXXGZTOA-HHHXNRCGSA-N 468.509 4.849 50 10 JJGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2COCCO2)c1Br 2315448977 JBQJVWCRGQSNNB-IONNQARKSA-N 467.354 4.856 50 10 JJGE O=C(N[C@@H]1CCC[C@@H](CBr)C1)c1ccc(Cl)cc1I 2340057294 LKKRSAJWENUBLK-MWLCHTKSSA-N 456.549 4.628 50 10 JJGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@@H]1CN(CC1(CBr)CCCC1)C2 2370174013 DDRWZXPSHWVZEL-BEFAXECRSA-N 451.396 4.956 50 10 JJGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)c2sc3ccccc3c2Cl)c1 12502549 BOXIFLCEVUAHRH-UHFFFAOYSA-N 476.023 4.701 50 10 JJGE CC(C)CCOc1cccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)c1 14644593 SKEAGFGTCJVMPO-UHFFFAOYSA-N 485.378 4.867 50 10 JJGE COc1cc(OC)c(/C=N/NC(=O)[C@H](C)Nc2cccc3ccccc23)cc1Br 27528079 MCIFVMKVNCLDMY-KIQCMGJBSA-N 456.340 4.570 50 10 JJGE CCOc1cc(/C=C2/C(=O)N(CC)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 38603341 RVEYARWTHLXBCV-XDHOZWIPSA-N 450.922 4.930 50 10 JJGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)c(C)c3)ccc21 38650049 ANPUTLIBPNMPFJ-RUZDIDTESA-N 476.916 4.860 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 38653446 YSHCOYYIMARJDE-NRFANRHFSA-N 492.285 4.795 50 10 JJGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccn2)CCC3)cc1 40814297 XRLLGXVTUTWUIG-ZTKZIYFRSA-N 460.534 4.885 50 10 JJGE O=C(N/N=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1cc(F)c(F)cc1Cl 59146497 FTTWQWRYIRHFGB-NHFJDJAPSA-N 460.267 4.953 50 10 JJGE COc1c(Cl)cc(/C=N\NC(=O)CSc2nc3ccccc3s2)c(OC)c1Cl 169892992 FEFVTCSFPGDJHI-WNFQYIGGSA-N 456.376 4.863 50 10 JJGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)C1=O 214227140 RWCKJTAMCZHGGO-HAHDFKILSA-N 481.512 4.840 50 10 JJGE CCOC(=O)C1CCN(C(=O)/C(C#N)=C\Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)CC1 217201950 WFEQKCTVAFODPJ-SILNSSARSA-N 474.586 4.893 50 10 JJGE Cc1ccc([C@H](C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)cc1 252585150 GNGQBZACCXGVBZ-YFHWDBPGSA-N 499.051 4.884 50 10 JJGE O=C(NN=Cc1ccc(-c2ccccc2)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 254721586 QWOADXWPYPGRGW-UHFFFAOYSA-N 461.568 4.980 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CCC(CCBr)CC1 401155943 YJTKRDLMAOUTMY-UHFFFAOYSA-N 456.549 4.582 50 10 JJGE C[C@H]1CCCN(C(=O)c2scc(Br)c2Br)[C@@H]1CBr 688645944 BFEPOSYLUVUYSX-IONNQARKSA-N 460.029 4.909 50 10 JJGE O=C(COc1ccc(Cl)cc1Cl)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 725444807 YLFVBCWNKYHUKN-UHFFFAOYSA-N 472.328 4.540 50 10 JJGE Cc1ccc(C)c(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)c1 725447388 XPVJPJHNSCDECD-UHFFFAOYSA-N 456.468 4.819 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c(C)n1C1CCCCC1 726947561 COLDGAPYBYXBJG-UYRXBGFRSA-N 464.532 4.577 50 10 JJGE CCCOc1c(Br)cc(Br)cc1C=NNC(=O)CNc1ccc(OC)cc1 915916045 HGFMIYRTKVWZKU-UHFFFAOYSA-N 499.203 4.571 50 10 JJGE C=CCc1cc(CNC(=O)NNc2cc(Cl)ccc2Br)cc(OC)c1OC 1221553857 VAQDDZPCRWVYRW-UHFFFAOYSA-N 454.752 4.675 50 10 JJGE C#Cc1cccc(NC(=S)NNC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)c1 1303280591 LLFFPWZMGCHWJA-OAQYLSRUSA-N 453.926 4.598 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccn2)CCC3)c(Br)c1 1772748036 XPZWWRGEYVGGKF-UHFFFAOYSA-N 481.350 4.777 50 10 JJGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3C)cc1OC 1865690836 CISNXUCNDHVDNE-IBGZPJMESA-N 489.414 4.931 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865712735 GKQPNDZASDVSPQ-QHCPKHFHSA-N 497.486 4.872 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc(OC)c1O 1865714310 GWSYRISMVKEMTB-DEOSSOPVSA-N 494.551 4.848 50 10 JJGE Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 1865758070 HXJRVLHKAPFYLJ-UHFFFAOYSA-N 455.489 4.850 50 10 JJGE C/C(=N\NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C)c1ccc(S(C)(=O)=O)cc1 1865763708 ZHENYNDKHCWRJY-LGJNPRDNSA-N 476.385 4.921 50 10 JJGE CC[C@@](C)(NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(SC#N)cc1 1866867056 MBODPNCEJCDTNE-GBXCKJPGSA-N 481.647 4.522 50 10 JJGE CN(CCOc1cccc(Br)c1)C[C@@H](Br)COCc1ccccc1 1916367063 QAYUQQGXNLSAHF-GOSISDBHSA-N 457.206 4.740 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@@H](Br)[C@@H](C2CC2)C1 2030223894 WVKXJYQNDFERLJ-RKDXNWHRSA-N 458.013 4.519 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC2(CCC2)C[C@H]1CBr 2151516220 PJJZXTGOVLXMPN-NSHDSACASA-N 466.011 4.991 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CCC([C@@H](F)CBr)CC1 2163243553 BZINKHBLQCAUQU-LBPRGKRZSA-N 471.990 4.797 50 10 JJGE COc1cc(Br)c([C@@H](Br)c2cc(Br)n(C)n2)cc1C 2227738018 JYNYEEPRQFHOAA-CYBMUJFWSA-N 452.972 4.746 50 10 JJGE C[C@]1(CNC(=O)c2csc(Br)c2Br)CCC[C@@H]1Br 2258798520 JSCCLIAPBDGCHI-QPUJVOFHSA-N 460.029 4.957 50 10 JJGE CCN(C(=O)c1ccc(Cl)c(I)c1)[C@H]1CCC[C@H]1Br 2268342465 GHVLHTRQYDNRIZ-MFKMUULPSA-N 456.549 4.723 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CCCC[C@@H]1CBr 2277921902 VFMXTMLRERCTMG-CYBMUJFWSA-N 454.000 4.530 50 10 JJGE CS(=O)(=O)[C@H]1C[C@H]([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)C1 2288350531 AEVCBJSELVLFEF-WHHMAUIRSA-N 452.542 4.593 50 10 JJGE Cc1cc(NC(=O)C(C#N)=Cc2sc(N3CCOCC3)nc2-c2ccccc2)n(-c2ccccc2)n1 2297388055 YIZRUPAGIPOUMO-UHFFFAOYSA-N 496.596 4.687 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)ccc1OS(=O)(=O)c1ccccc1 2313541036 MODWRIBCPFXRIB-UHFFFAOYSA-N 462.527 4.707 50 10 JJGE CCOc1ccc(CCNC=C(C#N)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1OCC 2325118236 NFMYFSSDZRSYQH-FQEVSTJZSA-N 461.606 4.780 50 10 JJGE O=C(NC[C@H]1CCC[C@H](Br)C1)c1ccc(Cl)cc1I 2340054424 MSGPYYNBXSDEDK-UWVGGRQHSA-N 456.549 4.628 50 10 JJGE O=C(NC1(CCCBr)CCC1)c1ccc(Cl)cc1I 2340059011 SEHJIAMRYZVBKL-UHFFFAOYSA-N 456.549 4.772 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1[C@H]2CC[C@H](C2)[C@@H]1CBr 2360163862 SJFWGZQMIXPSOU-SWHYSGLUSA-N 466.011 4.529 50 10 JJGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1ccc2c(c1Br)CCO2 2364236705 SPBKYHIHPWOURM-LLVKDONJSA-N 485.401 4.971 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(F)(F)F)CCN1C[C@]1(CBr)CC1(F)F 2379983400 DUPLXGJUOBHIOU-TYNCELHUSA-N 465.301 4.574 50 10 JJGE COc1ccccc1C(=O)NNC(=O)[C@@]12CC[C@@H](c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C 39855042 OQPQTLGDZPXLSX-RKNYENMMSA-N 485.371 4.561 50 10 JJGE COc1ccc([C@@H](C(=O)NC2CCCCCC2)N(Cc2ccc(F)cc2)C(=O)CCl)cc1 97915020 HEDNHSSKELSKPH-DEOSSOPVSA-N 460.977 4.982 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)NC[C@H]2CCCC[C@@H]2Cl)cc1Br 155821799 JUOURLVJCZVDPB-MFKMUULPSA-N 459.631 4.596 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 214380297 OXSOKYSYPRNMME-BKUYFWCQSA-N 453.454 4.956 50 10 JJGE O=C(NC[C@H]1CCCC[C@@H]1Br)c1ccc(Br)cc1Br 232458505 RWOIVEIQUKMHRG-SKDRFNHKSA-N 454.000 4.895 50 10 JJGE Cc1cccc(C(=O)N2CC[C@H](Br)CC(C)(C)C2)c1I 395333630 HZKYKXWVAMLGIO-LBPRGKRZSA-N 450.158 4.625 50 10 JJGE Fc1cnc2c(c1)nc(CCl)n2-c1ccc(Br)c(I)c1 400298576 RXKFGFPUIDZVNM-UHFFFAOYSA-N 466.479 4.666 50 10 JJGE CCc1ccc2c(COC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)cc(=O)oc2c1 761396510 FGSGXDTUATXQOL-KGENOOAVSA-N 478.508 4.783 50 10 JJGE O=C(/C=C/c1cccc2cccnc12)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 1087072839 NVYHRKLCYCUGCW-WUKNDPDISA-N 459.509 4.562 50 10 JJGE C#CC[C@]1(C(=O)N2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)CCCN1C(=O)OC(C)(C)C 1460764284 PBICBVHGBQULFG-NTKDMRAZSA-N 450.696 4.792 50 10 JJGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696795 KPVPDYUQNCKYAL-QHCPKHFHSA-N 462.525 4.647 50 10 JJGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706086 NGACUKGOLYAHIP-FQEVSTJZSA-N 479.924 4.994 50 10 JJGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706798 FUWHBXMLOSMZDH-FQEVSTJZSA-N 480.952 4.800 50 10 JJGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1F 1865710402 XFYJJYHJURQOMN-HSZRJFAPSA-N 452.489 4.964 50 10 JJGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)c1sc(-c2cnccn2)nc1C 1865759566 HEGWQLWVQJIWQE-UHFFFAOYSA-N 499.383 4.661 50 10 JJGE CC(C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)OCO3)cs1)N1C(=O)c2ccccc2C1=O 1872752534 IGXYCHSAWBHXCT-LEHARJQJSA-N 473.510 4.652 50 10 JJGE CC(C)(C)OC(=O)N[C@H](CBr)Cc1ccc(Cl)cc1I 1892995597 QVNXNWJQORIQGQ-NSHDSACASA-N 474.564 4.775 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H]2C[C@H]1CC[C@H]2Br 2028283153 NTXQNTPKOWAPIR-BWZBUEFSSA-N 458.013 4.661 50 10 JJGE CN(CC(C)(C)CBr)C(=O)c1cc(Br)ccc1I 2033567336 SQLVSIHQADEYSV-UHFFFAOYSA-N 488.989 4.547 50 10 JJGE Cc1cc(CCl)cc(S(=O)(=O)N(Cc2ccccc2)CC(F)F)c1Br 2034755059 AGASDSSWFKQZMQ-UHFFFAOYSA-N 452.748 4.952 50 10 JJGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1c1ncc(I)cc1Br 2069530842 AFLSLFSLQAHKMQ-ONGXEEELSA-N 488.005 4.837 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CC[C@H](CBr)C12CC2 2070148085 ZMWYORNIMPPECH-SSDOTTSWSA-N 458.013 4.663 50 10 JJGE CSCC[C@@H](Br)CCNC(=O)c1ccc(Br)cc1Br 2090385095 NGSFLPJDWAUHKN-VIFPVBQESA-N 474.056 4.848 50 10 JJGE COc1cc(C[C@H](Br)c2c(Br)cccc2Br)ncn1 2094099557 LTACYKJTVRYUEE-NSHDSACASA-N 450.956 4.689 50 10 JJGE COC[C@H](C)OC[C@H](Br)CCc1c(Br)cccc1Br 2099443033 NAXHXJMHCIGFGI-WDEREUQCSA-N 459.016 4.959 50 10 JJGE C[C@H](Br)CCCc1cn(-c2ccc(Br)c(I)c2)nn1 2132764668 RQMGRBVHLLRYRO-VIFPVBQESA-N 498.988 4.741 50 10 JJGE O=C(N[C@@]1(CCl)C[C@H]2CC[C@H]1C2)c1ccc(I)c(Br)c1 2283913016 OKYCKHAQFAJZCK-CCUNJIBTSA-N 468.560 4.581 50 10 JJGE C[C@@H](Br)CN(CCC(C)(C)C)C(=O)c1ccc(I)cc1 2288047831 JCWRWXRTSHCHTA-GFCCVEGCSA-N 452.174 4.953 50 10 JJGE C[C@@H](C(=O)Oc1ccc(C=C(C#N)c2ccc(Cl)cc2)cc1)N1C(=O)c2ccccc2C1=O 2320506732 QHCVYVSGNGARPG-INIZCTEOSA-N 456.885 4.994 50 10 JJGE C=CC[C@@H](Br)[C@@H]1CCN1C(=O)c1cc(Br)cc(Br)c1 2335821550 ODDZBHHMUXDVMB-OLZOCXBDSA-N 451.984 4.766 50 10 JJGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccc(Cl)cc1Cl 12501462 JFZQGEFZFSQUGP-UHFFFAOYSA-N 495.215 4.795 50 10 JJGE CCCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Br)cc2)c(OCCC)c1 20595453 VZTLTBNVALRPPT-WTJYETQFSA-N 463.372 4.944 50 10 JJGE N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2C(F)(F)F)[C@@H]2CN(Cc3ccccc3)CC=C12 21963882 YNUFZUOVLAFMFA-FYYLOGMGSA-N 459.475 4.631 50 10 JJGE O=C1C=CC(=CNNC(=O)CN2CCn3c4c(c5cc(C6CCCCC6)ccc53)CCC[C@H]42)C=C1 34115061 LCYNPWVVBDPDOR-HHHXNRCGSA-N 470.617 4.582 50 10 JJGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)c1 38684900 HXHHBRIQQMQLLI-AREMUKBSSA-N 456.498 4.596 50 10 JJGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2)CCC3)cc1 40811629 ONKVREUDNYNJJG-ZXVVBBHZSA-N 480.904 4.718 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)COc1cc(C)ccc1C(C)C 40877588 OCPCDXNBMCZWGO-UDWIEESQSA-N 450.535 4.543 50 10 JJGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/C(Cl)(Cl)Cl 59261640 TZKDPRJIJXYRKA-DHRITJCHSA-N 497.839 4.794 50 10 JJGE CCN(CC)c1c(/C=N/NC(=O)c2ccc(Br)cc2)c(C)nn1-c1ccccc1 253567636 KHEGASMWJOLHPR-BUVRLJJBSA-N 454.372 4.553 50 10 JJGE COc1ccc(C(C)=NNC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1OC 254816457 GSBPKJWTEPCNNL-UHFFFAOYSA-N 474.586 4.734 50 10 JJGE CN(C[C@@H]1CCC[C@H]1Br)C(=O)c1cc(Br)cc(Br)c1 708325012 FGSINMDRWTYORT-TVQRCGJNSA-N 454.000 4.847 50 10 JJGE CCCCCOc1ccccc1C(=O)NN=C1C(=O)N(CC(=O)Nc2ccc(C)cc2)c2ccccc21 1083934783 NUPWRXTUFPCRPQ-UHFFFAOYSA-N 498.583 4.683 50 10 JJGE Cc1cccc(OCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)c1 1772753913 GTMYYMGGRLSZSH-UHFFFAOYSA-N 453.336 4.866 50 10 JJGE Cc1ccc(Cl)cc1NC(=O)COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1 1858682886 PBWYGDQBGGHAIP-UHFFFAOYSA-N 456.842 4.580 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865684691 VVWFHITZCUTQOA-QHCPKHFHSA-N 498.514 4.678 50 10 JJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1 1865693221 IJHDRJAFLIFTHT-LJQANCHMSA-N 454.452 4.957 50 10 JJGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865693616 XHWVISMTJHMSRL-OAQYLSRUSA-N 480.952 4.722 50 10 JJGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865701000 JMFQYZNDXBEQND-HSZRJFAPSA-N 452.514 4.823 50 10 JJGE Cc1oc(-c2ccc(Cl)cc2)nc1CC(=O)N[C@@H](C)C(=O)Nc1ccc(SC#N)cc1 1866668771 CMHOITIKDMJYNQ-ZDUSSCGKSA-N 454.939 4.563 50 10 JJGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4cccc(OC)c4)cs3)CC2=O)cc1 1872744429 RDCSEQHNIZHQPO-GOTYSUTNSA-N 489.553 4.841 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCN4CCOCC4)c(OC)c3)n2)cc1F 1872792309 RGHCNPQMHZWJET-DEDYPNTBSA-N 495.576 4.742 50 10 JJGE C[C@H](N)Cc1cc(Br)cc(Br)c1OCC1CC(Br)C1 1887908551 SCYSOGLBYUZKMX-SILCLGDVSA-N 456.016 4.654 50 10 JJGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)s1 1915087108 QQXFTKPBCWXSQM-LBPRGKRZSA-N 467.248 4.875 50 10 JJGE O=C(NCCCCCI)c1cccc(Br)c1Br 1943887891 WDIAFECJMIQOPE-UHFFFAOYSA-N 474.962 4.547 50 10 JJGE CN([C@@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(CCl)sc1Br 2038806532 ILGJGOIPEWCTTF-HUUCEWRRSA-N 464.834 4.618 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H]2[C@@H](Br)CCC[C@H]2C1 2094581159 NHUQMYDPAWINBJ-XKSSXDPKSA-N 472.040 4.909 50 10 JJGE CC(C)(C)N1C[C@@H](Br)[C@@H](Cc2cc(Cl)ccc2I)C1 2100724479 WNCRHOVKYXXDJQ-WCQYABFASA-N 456.593 4.981 50 10 JJGE O=C(c1csc(I)c1)N1CCC[C@]2(CBr)CCC[C@H]12 2108986996 XLRJATHPXBMENR-FZMZJTMJSA-N 454.171 4.523 50 10 JJGE O=C(N[C@@H](CBr)c1cscn1)c1cc(Br)ccc1Br 2119039391 ONCSKJGQKLLTOP-JTQLQIEISA-N 468.996 4.534 50 10 JJGE CN([C@@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1 2156439839 YKAQHQVLVNCKBI-UXHICEINSA-N 452.414 4.586 50 10 JJGE COc1cc(C(=O)N[C@H](C)CCCCCI)ccc1Br 2192155727 JWERUHQWUXFAJQ-LLVKDONJSA-N 454.146 4.571 50 10 JJGE CCC[C@H]1CN(C(=O)c2ccc(Cl)c(I)c2)C[C@@H]1CBr 2283667636 VPIKDRNPEPJLKS-RYUDHWBXSA-N 470.576 4.828 50 10 JJGE CC(C)[C@H](CCl)N(Cc1ccccc1)C(=O)c1c(Br)c(Br)nn1C 2301020547 ABEOJNJHDRSILR-ZDUSSCGKSA-N 477.628 4.851 50 10 JJGE CN(Cc1ccc(I)c(Br)c1)C1(CBr)CCC1 2306223546 GWYPROLJPDKGMV-UHFFFAOYSA-N 472.990 4.803 50 10 JJGE CC(C)(CI)CN1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 2306818471 KSYNSLWIMXVMNO-HOTGVXAUSA-N 450.405 4.559 50 10 JJGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593989 XCLVLWVXXBWHDX-UQBPGWFLSA-N 483.593 4.999 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1c(C)cccc1C 2314755147 VWRRNKCTYSELNE-UHFFFAOYSA-N 474.513 4.503 50 10 JJGE COCC12CC([C@@H](Br)c3sc(Cl)cc3I)(CO1)C2 2316771857 OCKAREAHSXMTCV-UNXYVOJBSA-N 463.562 4.638 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@H]2CC[C@H]1C[C@@]2(C)NC(=O)OC(C)(C)C 2327662002 BNWDXWCQKRGEPQ-PMECCGAFSA-N 489.748 4.954 50 10 JJGE COc1cc2nc(C(C#N)=Cc3ccc(OC(=O)c4ccc(F)cc4)cc3)nc(O)c2cc1OC 2331042563 NGJSRQXIQIQYLI-UHFFFAOYSA-N 471.444 4.775 50 10 JJGE Clc1ccc(CN2C[C@H]3[C@@H](Br)CCC[C@H]3C2)cc1I 2337226179 UWHZMIPYNRXTNN-XQQFMLRXSA-N 454.577 4.940 50 10 JJGE O=C(NCC(F)(F)C(F)(F)CI)c1c(Cl)cccc1Br 2361666954 LAYQOVKVRJNQBV-UHFFFAOYSA-N 488.444 4.538 50 10 JJGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)c1ccc(OCc2ccccc2)cc1 14027913 POYIBAPQGBWEFZ-UHFFFAOYSA-N 489.753 4.522 50 10 JJGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 14034376 PPFCXSFVWAONAU-UHFFFAOYSA-N 461.587 4.728 50 10 JJGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccc(OC(C)C)c(Br)c1 14658717 VTZKIPIYXXQGRT-OAHLLOKOSA-N 463.372 4.590 50 10 JJGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C)cc3C)nc3c(C)cccn3c2=O)cc1 33719090 JPBKDBUGTQVZLO-HKWRFOASSA-N 480.524 4.966 50 10 JJGE COc1ccccc1NC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2)nc2c(C)cccn2c1=O 39992845 NXSVAFKYIQYHAQ-XDJHFCHBSA-N 466.497 4.658 50 10 JJGE C=CCOc1c(Br)cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)cc1Br 58887424 HMMOKKYJQCQXBC-XNQWGTPPSA-N 496.199 4.740 50 10 JJGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OC(C)C)c(OC)c2)c(OC)c1 207009391 ZWHCXLPEQWUIJT-OUEVAZRFSA-N 478.545 4.543 50 10 JJGE CCOc1cc(C=NNC(=O)c2c(-c3ccccc3)noc2C)ccc1OC(=O)c1ccco1 252594820 BVCGMXHHLOOCQL-UHFFFAOYSA-N 459.458 4.625 50 10 JJGE CC(CC(=O)Nc1ccc(C(C)C)cc1)=NNC(=O)COc1ccc(C)cc1Br 254443464 ZYSXLJUBPPOEJU-UHFFFAOYSA-N 460.372 4.781 50 10 JJGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3F)n2-c2ccc(C)cc2)cc1 254485584 GLGYOEJVDZYQKY-UHFFFAOYSA-N 459.550 4.933 50 10 JJGE C[C@@H](Cl)[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1I 688775345 DKSWVDLBRRRWKO-RNCFNFMXSA-N 456.549 4.676 50 10 JJGE COc1cccc(Cc2cnc(NC(=O)NNC(=O)[C@H](C)Oc3ccc4ccccc4c3)s2)c1 727838790 LTWGQGTZFAQFRQ-INIZCTEOSA-N 476.558 4.516 50 10 JJGE Cc1csc([C@@H](C)NC(=O)NNc2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)n1 727942584 QXZNMZBFWMNAML-MRXNPFEDSA-N 458.609 4.795 50 10 JJGE CSc1ccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 1084035750 XKBXAUJEPLJKRG-UHFFFAOYSA-N 499.683 4.784 50 10 JJGE C/C(=C/C(=O)NNC(=O)[C@H](C)Oc1c(C)cc(Cl)cc1C)c1ccccc1OC(F)F 1538419712 SPKYKUSGCZIPGO-SSCKCOOKSA-N 452.885 4.576 50 10 JJGE Cc1c(C(=O)N2CCC(C)CC2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743870 MQEKGVAYEYKKNZ-UHFFFAOYSA-N 472.383 4.693 50 10 JJGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3cccc(Cl)c3)c(C)c21 1772746255 SYMMANHVWYCYNA-UHFFFAOYSA-N 451.910 4.973 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc2c(c1)OCCO2 1865698475 UWEXNNQCCYEODQ-XMMPIXPASA-N 480.499 4.727 50 10 JJGE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705412 VEMVPJIRUNYRKG-RUZDIDTESA-N 480.499 4.816 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 2010825107 FYCSGDBTEOPMFM-KSZLIROESA-N 475.721 4.660 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC[C@]1(NC(=O)OC(C)(C)C)CCC[C@@H]2C[C@@H]21 2010825919 SYQWLOLADAUPJR-HYFFOGBASA-N 475.721 4.566 50 10 JJGE C[C@@H](NC(=O)c1cc(I)ccc1Br)C(C)(C)CBr 2030079944 JMJYHCXBMLJRIQ-MRVPVSSYSA-N 488.989 4.593 50 10 JJGE CC[C@H](C)[C@@H](CI)NC(=O)c1cc(Cl)ccc1I 2081239267 PXYDPSQWODZYKG-QPUJVOFHSA-N 491.538 4.524 50 10 JJGE CC[C@H]1CN(C(=O)c2csc(Br)c2Br)C[C@H]1CBr 2084901300 VAXFHOOVYRHSLB-JGVFFNPUSA-N 460.029 4.766 50 10 JJGE CC(C)N(CCOCCBr)Cc1ccc(Br)cc1Br 2092261097 MXVYRIANDCDFPJ-UHFFFAOYSA-N 458.032 4.834 50 10 JJGE C[C@@H]1C[C@H](Cl)CCN(C(=O)c2ccc(I)c(Br)c2)C1 2103287702 QKDTYLATDWNHNK-MWLCHTKSSA-N 456.549 4.533 50 10 JJGE C[C@@H]1CN(Cc2cccc(Br)c2Br)C[C@H](CCBr)O1 2122794345 SFNKUAZXNVBATR-PWSUYJOCSA-N 456.016 4.586 50 10 JJGE CC[C@@H](C)[C@H](Br)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2146588422 IVIDCNUQBLRZAC-VXNVDRBHSA-N 468.038 4.844 50 10 JJGE O=C(N[C@H]1CCCC[C@H]1CCCl)c1cc(Br)ccc1I 2146741095 XHNWLBZXZBEWOZ-HZMBPMFUSA-N 470.576 4.971 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2164656153 KISJIHKLWDZIJV-CHIMOYNISA-N 466.011 4.990 50 10 JJGE C[C@@]12CC[C@@](CBr)(C1)N(C(=O)c1c(Br)cccc1Br)C2 2199500002 JGKWQMONIOOVNQ-CABCVRRESA-N 466.011 4.991 50 10 JJGE Cc1cc(C(=O)N[C@H](CCBr)C2CCCC2)ccc1I 2207109911 CFYMAKXSWQQBKU-OAHLLOKOSA-N 450.158 4.673 50 10 JJGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCc1ccccc1C(F)(F)F 2220475477 XCIVSNWURVGECY-MRXNPFEDSA-N 473.273 4.940 50 10 JJGE O=C(c1csc(I)c1)N1[C@H](CBr)C[C@@H]2CCCC[C@@H]21 2232019109 BSMSMIMXBQTYTI-DLOVCJGASA-N 454.171 4.521 50 10 JJGE C[C@H](CBr)[C@H]1CCCCN1C(=O)c1ccc(Cl)c(I)c1 2283665621 WOMIJAVLBGHYGR-QMTHXVAHSA-N 470.576 4.970 50 10 JJGE C=CC[C@@H](Br)[C@H]1CCN1C(=O)c1csc(Br)c1Br 2314236003 WMJSBVPXHCYVBL-RKDXNWHRSA-N 458.013 4.827 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(O)c(OCC)c2)sc2c1CC[C@H](C)C2 2314572284 XQGJZQOFXZXWDZ-AWEZNQCLSA-N 454.548 4.700 50 10 JJGE N#CC(=Cc1cccc(Br)c1)C(=O)NC[C@H](c1ccccc1)S(=O)(=O)c1ccccc1 2329694685 ROKNKHBVHWCBFP-HSZRJFAPSA-N 495.398 4.687 50 10 JJGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)cc1 35252353 KWYBLXCPEXSSBH-CYVLTUHYSA-N 466.497 4.658 50 10 JJGE CCOc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc(OC)c1)CCC2 40822160 LRUHKBHGMQHYPB-VFCFBJKWSA-N 461.518 4.718 50 10 JJGE N#C/C(=C/c1cc(Br)cc(I)c1O)c1nc2ccccc2[nH]1 50741897 QTRAHBPJMZEBHV-YHYXMXQVSA-N 466.076 4.700 50 10 JJGE C[C@H](Sc1nnc(-c2ccc3ccccc3c2)n1-c1ccccc1)C(=O)NNC(=O)C1CCC1 253568443 LFPQTSQCMZNUDC-KRWDZBQOSA-N 471.586 4.516 50 10 JJGE CC(=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccccc1O 254317920 FHTYROCFSVMSCL-UHFFFAOYSA-N 457.559 4.581 50 10 JJGE Cc1ccccc1-n1c(SCC(=O)NN=C/C=C/c2ccccc2[N+](=O)[O-])nc2ccccc2c1=O 254384903 ABUKZRRTEZITBR-NANCSBCPSA-N 499.552 4.510 50 10 JJGE aggregator O=C(N[C@@H]1CCC[C@@H](CBr)C1)c1cc(Br)ccc1Br 306103027 QQPOYFMBYJGXOC-MWLCHTKSSA-N 454.000 4.895 50 10 JJGE CC(C)(C)OC(=O)N1C(=O)OC(=O)[C@H]1CCCCNC(=O)OCC1c2ccccc2-c2ccccc21 381064956 MNYRWGVMKHCPDD-JOCHJYFZSA-N 494.544 4.978 50 10 JJGE C[C@H]1CN(C(=O)c2cc(Br)c(Br)s2)C[C@]1(C)CBr 703736104 QYEHWLWFHYJMIS-MADCSZMMSA-N 460.029 4.766 50 10 JJGE O=C(NC[C@H]1CCC[C@@H](CCl)C1)c1ccc(I)c(Br)c1 721571165 CUCKMYNSPMWCJK-MNOVXSKESA-N 470.576 4.829 50 10 JJGE CC1=C(C(=O)NN=Cc2ccc(Cl)cc2Cl)[C@@H](c2ccc(Br)cc2)NC(=O)N1 1084453806 IXVGRAJECBNFGV-QGZVFWFLSA-N 482.165 4.534 50 10 JJGE COc1ccc(C(=O)NN=Cc2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 1084497007 WXIUZQVVJSFLLY-UHFFFAOYSA-N 469.335 4.809 50 10 JJGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743930 OKASATCCYIYFTE-UHFFFAOYSA-N 479.920 4.735 50 10 JJGE CCc1nn(CC)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865700944 ICKSPUPEFSQZCT-JOCHJYFZSA-N 464.953 4.925 50 10 JJGE CC[C@@](C)(NC(=O)[C@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866701302 JMFAPLJXPWLFHB-ZEQKJWHPSA-N 458.587 4.905 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@H](Br)C12CCC2 1914425908 MKKBGSCIFRRJBD-NSHDSACASA-N 451.984 4.744 50 10 JJGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1ccc(F)c(Br)c1 1916383521 KPOFVSSREFZRAF-HNNXBMFYSA-N 459.153 4.641 50 10 JJGE C[C@H](NCCSSCCNC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1985346568 DVLGAKKUEZHAPI-IRXDYDNUSA-N 463.710 4.518 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C2CC2)C1 2018374372 ICUJRLPIKYEXHB-QZTJIDSGSA-N 475.721 4.660 50 10 JJGE O=C1C(=CNNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2C(=O)N1c1ccccc1Cl 2040441566 HQUPOBRSFPXXRO-UHFFFAOYSA-N 475.976 4.705 50 10 JJGE Cn1nc([C@@H](Br)Cc2ncccc2Br)c(Br)c1Cl 2048149220 VLMCRNABGCIQJN-ZETCQYMHSA-N 458.379 4.672 50 10 JJGE CC1(C)[C@@H](Br)CC[C@H]1NC(=O)c1csc(Br)c1Br 2086026634 SCZGKDGXXQZMSA-JGVFFNPUSA-N 460.029 4.955 50 10 JJGE CC1(C)[C@H](CBr)OCCN1Cc1c(Br)cccc1Br 2103391753 FKKUQDOJVZWPJD-ZDUSSCGKSA-N 456.016 4.586 50 10 JJGE CC[C@H](Cl)CN(C(=O)c1ccc(Br)cc1I)C1CC1 2142285718 TUNUJMVNCMMUKB-JTQLQIEISA-N 456.549 4.676 50 10 JJGE Cc1cccc(C(=O)N2CC[C@H](Br)[C@H]2C(C)(C)C)c1I 2185098648 ACYRLIGPBRHPBC-JSGCOSHPSA-N 450.158 4.624 50 10 JJGE CN(C[C@H]1C[C@H]1Br)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(C(F)(F)F)c1 2196913149 CAEIITZBOHBJNK-DGCLKSJQSA-N 451.283 4.908 50 10 JJGE CCC[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@H]1CBr 2205703627 OCTOUJZIELAPFN-GHMZBOCLSA-N 470.576 4.828 50 10 JJGE O=S(=O)(Cc1cccc(Br)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2218987234 IEOSQNOYEUNEOQ-IBGZPJMESA-N 487.257 4.955 50 10 JJGE CCN(C(=O)c1ccc(I)c(Br)c1)[C@@H]1CCC[C@@H]1Cl 2224416422 WTNZKGMBMXABFQ-WCQYABFASA-N 456.549 4.676 50 10 JJGE I[C@@H]1CCCCCC[C@@H]1OCCOCCOCCOCc1ccccc1 2227775520 ATDXIMIMCLYOQA-RTWAWAEBSA-N 476.395 4.779 50 10 JJGE Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)CBr)cc1I 2232834678 WIINQVKEFVHKPJ-IUODEOHRSA-N 450.158 4.625 50 10 JJGE COc1cc(C)c(Br)c(C)c1[C@@H](Cl)c1cnn(C)c1I 2285080028 PHWXQFQILZYRNK-ZDUSSCGKSA-N 469.548 4.741 50 10 JJGE COc1cccc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)c1OCc1ccc(Cl)cc1 2295672708 VFBLSHJTHWQYQN-UHFFFAOYSA-N 476.916 4.880 50 10 JJGE CC1([C@@H](CBr)NCc2ccc(I)c(Br)c2)CC1 2306222560 VXHZGJIOLLUDBD-GFCCVEGCSA-N 472.990 4.707 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OC 2313518140 MNAKRSKUUKTWCU-UHFFFAOYSA-N 476.314 4.861 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCc1cccc(C(F)(F)F)c1 2327978357 MYONDKLNURWDNY-INIZCTEOSA-N 473.273 4.940 50 10 JJGE C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 2328818690 MFQLYCIYJSQWQC-AWEZNQCLSA-N 466.365 4.936 50 10 JJGE CC(C)CN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)cc2C1=O 2331279597 SZYTXKFSOVWMMM-UHFFFAOYSA-N 474.498 4.920 50 10 JJGE CC(C)[C@H]1C[C@H](Br)CN1C(=O)c1ccc(I)c(Cl)c1 2344768792 JGZNCHDCGXUBMV-GXFFZTMASA-N 456.549 4.579 50 10 JJGE Cc1cc(Br)c(CBr)c(N2CC(n3cc(Br)cn3)C2)c1 2361522820 VNYVXISQCFZEIX-UHFFFAOYSA-N 463.999 4.673 50 10 JJGE CC1(C)CC(CBr)(CN=[S@@]2(=O)CC[C@@]3(CCCN3C(=O)OC(C)(C)C)C2)C1 2371132323 ZJYLSTMQNPOPAB-CCLHPLFOSA-N 463.482 4.829 50 10 JJGE CC(C)c1ccc(O[C@@H](C)C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 14040233 HEXDWFKWKPIOLF-HNNXBMFYSA-N 453.366 4.891 50 10 JJGE Cc1ccc(C(=O)NNC(=O)c2ccc(-n3nc(C(F)(F)F)c4c3-c3ccoc3CC4)cc2)cc1 39852174 KBPDESCNXNGQOT-UHFFFAOYSA-N 480.446 4.633 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)cc1 40823088 SIQIHQBUYRNOHI-OVVQPSECSA-N 481.350 4.777 50 10 JJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21 59160980 KYKWDPDCPIHYJM-QAWYFIKJSA-N 468.340 4.828 50 10 JJGE CN(C)c1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1Br 59304300 SBQBAOUIRVRDAW-UFFVCSGVSA-N 465.145 4.788 50 10 JJGE Fc1ccc(-n2c(CCl)nc3cc(Br)cnc32)c(I)c1 128067257 AACKSLDSVLXDLP-UHFFFAOYSA-N 466.479 4.666 50 10 JJGE O=S1(=O)CCCC[C@H]1[C@@H](Br)c1cc(Br)sc1Br 169048913 KITHYENZSDYDAS-CBAPKCEASA-N 467.042 4.676 50 10 JJGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC)c(OC)c1OC 254458693 VCFKLGVBHHQNLT-UHFFFAOYSA-N 477.646 4.980 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CI)O[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 303741138 HCDSSOKKRWELAR-TUFGIGEDSA-N 451.389 4.936 50 10 JJGE CC[C@H](NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)[C@H](Br)CC 313115793 OEXOPEYSVBCQBD-KCJUWKMLSA-N 468.038 4.986 50 10 JJGE O=C(N[C@@H](CBr)C1CCCC1)c1ccc(Br)cc1Br 386370367 PVBFQCYEJOZRRZ-ZDUSSCGKSA-N 454.000 4.895 50 10 JJGE C[C@@H](Br)[C@H]1CCCN(C(=O)c2scc(Br)c2Br)C1 689024903 CJSRWLYEVZFZCT-SFYZADRCSA-N 460.029 4.909 50 10 JJGE C[C@H](Cl)Cc1cn(-c2c(Br)cc(Br)cc2Br)nn1 709330789 MVBMTHDKTFMGJY-LURJTMIESA-N 458.379 4.725 50 10 JJGE C=CCOc1cccc(C=NNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)c1 1083905412 ASGZCMOPQJOREO-UHFFFAOYSA-N 498.004 4.559 50 10 JJGE Cc1ccc(N(CC(=O)NN=Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1Cl 1083952854 ATFCAIPMBMHFCD-UHFFFAOYSA-N 476.385 4.647 50 10 JJGE Cc1ccccc1N(CC(=O)NN=Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 1084337913 IKJZMJDXUVOKTJ-UHFFFAOYSA-N 476.385 4.647 50 10 JJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)c1 1865692142 JJPOTHBEFMKYJA-XMMPIXPASA-N 464.525 4.834 50 10 JJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1 1865693218 IJHDRJAFLIFTHT-IBGZPJMESA-N 454.452 4.957 50 10 JJGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865707253 RUUYEGUHFGMYCE-QFIPXVFZSA-N 464.953 4.773 50 10 JJGE COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1 1866130127 BQQWQEICVZDUAZ-XDHOZWIPSA-N 487.512 4.519 50 10 JJGE CC(C)(C)OC(=O)N[C@@H](CBr)Cc1cc(Br)c(Br)o1 1880753412 HJYJSRWBIPWKJS-SSDOTTSWSA-N 461.976 4.635 50 10 JJGE O=C(c1csc(Br)c1Br)N1CC[C@@H](C(F)(F)CBr)C1 1892701183 SQQGNHOMGISZOQ-ZCFIWIBFSA-N 481.982 4.765 50 10 JJGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 1915088010 DTDZROVKQXJHOO-AWEZNQCLSA-N 461.219 4.814 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H](Br)CC12CCC2 2038062460 WHZAZMWNRCAQOB-ZETCQYMHSA-N 458.013 4.805 50 10 JJGE CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NN=CC(Cl)=Cc2ccccc2)cc1 2042446290 CRXQFUIMKMKYAK-UHFFFAOYSA-N 483.977 4.882 50 10 JJGE CN(CCCOCc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Br 2059312530 MNGIJHMHIWLQBT-UHFFFAOYSA-N 491.245 4.571 50 10 JJGE CC1(C)C[C@@H](CBr)CN1C(=O)c1csc(Br)c1Br 2064388847 LQOXMQTXYWWDRO-ZETCQYMHSA-N 460.029 4.909 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2I)[C@H](C)C[C@H]1Cl 2093101651 NQSNMKSETJFQBR-KBVBSXBZSA-N 456.549 4.532 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CCC(F)(CBr)CC1 2101307656 FEYQNBPUCRKRPG-UHFFFAOYSA-N 457.963 4.551 50 10 JJGE CC[C@]1(CBr)COCCN1Cc1cccc(Br)c1Br 2112719614 CSATVVVMUUQZDC-AWEZNQCLSA-N 456.016 4.588 50 10 JJGE CC[C@@H]1[C@H](CCl)CCN1C(=O)c1ccc(Br)cc1I 2142284992 KCDBTHJYFWZSBI-TVQRCGJNSA-N 456.549 4.533 50 10 JJGE O=C(NC[C@]12CCC[C@@]1(CBr)C2)c1cc(Br)c(Br)s1 2142939571 HZLYVVLJQRSKAF-QWHCGFSZSA-N 472.040 4.958 50 10 JJGE O=S(=O)(N[C@H]1CC[C@H](CBr)C1)c1c(Cl)cc(Br)cc1Cl 2146225937 XIKZJLRQVXTXBT-CBAPKCEASA-N 466.022 4.598 50 10 JJGE O=C(c1cc(Br)ccc1I)N1C[C@H](Cl)CC2(CCC2)C1 2151342095 HTKMSHMZKKZNLC-LLVKDONJSA-N 468.560 4.677 50 10 JJGE O=C(NC[C@]1(CCl)CC12CCC2)c1ccc(I)c(Br)c1 2154200267 GTTVCTWLGJOHJB-OAHLLOKOSA-N 468.560 4.583 50 10 JJGE C[C@@]12CC[C@@](CBr)(C1)N(C(=O)c1cccc(Br)c1Br)C2 2199502596 UIRFLMSYKIINNC-CABCVRRESA-N 466.011 4.991 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCC(=O)Nc1ccccc1 2297334497 IPMLVLALJSWMRR-AUSIDOKSSA-N 461.562 4.705 50 10 JJGE CC1=C(C#N)C(=O)N(C)C(=O)C1=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 2314617532 AKMBCNORJCHCRQ-UHFFFAOYSA-N 452.558 4.562 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(C)cc1 2314760124 HEOAEVGSYIDYIC-UHFFFAOYSA-N 488.540 4.975 50 10 JJGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1cc(F)c(F)cc1F 2338861368 RAACPSXPIPHPTA-QMMMGPOBSA-N 462.889 4.847 50 10 JJGE C[C@@]1(CBr)C=CCCN1C(=O)c1ccc(Cl)cc1I 2340066696 UCDYBERIKBXKNB-AWEZNQCLSA-N 454.533 4.500 50 10 JJGE CC[C@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 9872825 UBWDSMMZOOWZAD-LSDHHAIUSA-N 480.392 4.841 50 10 JJGE CN(c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(Br)cc1)C1CCCCC1 20074272 ZOKDLOZDFDTXFA-OEAKJJBVSA-N 459.344 4.890 50 10 JJGE C[C@H](Cl)C(=O)N1CCN(c2nc(CCc3ccccc3)nc3sc4c(c23)CCCC4)CC1 35849196 FFEAAWOJIZTQGA-KRWDZBQOSA-N 469.054 4.631 50 10 JJGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)cc1 38651022 OZGFWGPUTZWGLV-DEOSSOPVSA-N 462.889 4.551 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@H]1c1cccc(F)c1 38678422 IFTHDJGHJXANSM-OAQYLSRUSA-N 465.824 4.825 50 10 JJGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)c1 38684384 FJUVJJJBYNOOTN-AREMUKBSSA-N 474.488 4.817 50 10 JJGE C[C@H](SCc1ccccc1)C(=O)N/N=C1\C(=O)N(C/C=C/c2ccccc2)c2ccccc21 59159502 SUCVEKIDCWIGKB-YZMCRGRMSA-N 455.583 4.889 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CCC[C@@H](CCBr)C1 232455697 DAEYDKSCJNNBHR-JTQLQIEISA-N 454.000 4.849 50 10 JJGE Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)CCCNc1ccc(Br)cc1 253571239 OSBGIXMXFQYERP-AFUMVMLFSA-N 474.790 4.939 50 10 JJGE C[C@@]1(CI)CC[C@H](c2c(Br)cncc2Br)O1 394511564 BGLMGAJVUUQLIX-KOLCDFICSA-N 460.935 4.652 50 10 JJGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)N3CCN(c4ccccc4)CC3)c2)cc1 586671508 VTOYGUZTLDNOQB-UHFFFAOYSA-N 457.559 4.866 50 10 JJGE O=C(NC1(CBr)CCCCCCC1)c1sccc1I 713438085 WAXVDUTYHZBOLE-UHFFFAOYSA-N 456.187 4.961 50 10 JJGE O=C(NC1(CCl)CCCCC1)c1ccc(I)c(Br)c1 721623805 UYEONKOKPMQZER-UHFFFAOYSA-N 456.549 4.725 50 10 JJGE Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 729344223 CRFISAXANMINPH-RXWSAZGZSA-N 487.947 4.903 50 10 JJGE COc1ccc(C(=O)NN=C2C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)cc1 1084075137 YPQXYOOGXGXVOR-UHFFFAOYSA-N 461.521 4.966 50 10 JJGE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688512 UELULQHVAREDBE-RUZDIDTESA-N 472.589 4.950 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1OCC 1865689012 HPGWIGKCYIUVIY-FQEVSTJZSA-N 484.478 4.966 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1ccc(C(=O)O)cc1 1865709709 ZWJCVNSLWIUSNV-INIZCTEOSA-N 474.826 4.520 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1ccc(Br)cc1 1865714294 GQCZENPGTHXUCC-INIZCTEOSA-N 475.268 4.931 50 10 JJGE COc1ccc(-c2ccc(C(=O)NNC(=O)C(c3ccccc3)c3ccccc3)c(C)n2)cc1 1865756998 IUUPXKMJDWBQSA-UHFFFAOYSA-N 451.526 4.659 50 10 JJGE Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3ccccc3OCc3ccccc3Cl)ccc12 1873793025 SESRAMIDGUKHSD-CCVNUDIWSA-N 476.916 4.863 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@H](Br)CCc1ccc(Br)c(F)c1 1905440496 YPHAEZUXULKFAQ-GFCCVEGCSA-N 455.121 4.581 50 10 JJGE CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2cc(CCl)oc2Br)CO1 1915476081 HPFNGBDCQCFDGP-CQSZACIVSA-N 462.793 4.539 50 10 JJGE CC1(C)C[C@H](Cl)CN(C(=O)c2cc(I)ccc2Br)C1 1923193974 RVCCGVLCRQKHCJ-VIFPVBQESA-N 456.549 4.533 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1985347198 OUJVZDIVLFIYEL-IRXDYDNUSA-N 463.710 4.566 50 10 JJGE O=C(c1csc(Br)c1Br)N1CCC12CC(CBr)C2 2042666568 IEYAPMLMYCHERP-UHFFFAOYSA-N 458.013 4.663 50 10 JJGE CC1(C)CC(CBr)(NC(=O)c2csc(Br)c2Br)C1 2045114528 BVILEXMXRSCBTG-UHFFFAOYSA-N 460.029 4.957 50 10 JJGE O=C(N[C@H]1CCC[C@@H]1CCCl)c1cc(I)ccc1Br 2090560775 TZCJEIGMSRMWRB-RNCFNFMXSA-N 456.549 4.581 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H]2CCC[C@]2(CBr)C1 2103167619 GBGWWIAHZDAKAR-OQPBUACISA-N 472.040 4.910 50 10 JJGE CCCN1CCC[C@@H]([C@H](Br)c2ccccc2OCc2ccccc2)S1(=O)=O 2145774009 DGVXCVVOUACIGU-LEWJYISDSA-N 452.414 4.906 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CC2(CCC2)C[C@H]1CCl 2151497725 HSJSDWPRBXJJAD-NSHDSACASA-N 468.560 4.677 50 10 JJGE Cc1oc(C)c(S(=O)(=O)N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)c1CBr 2179790789 IXPAIIKKNCKXAJ-KRWDZBQOSA-N 456.402 4.550 50 10 JJGE C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(CBr)cc2Cl)CN1Cc1ccccc1 2179791081 MKRHOFUFDGTJPE-MAUKXSAKSA-N 471.848 4.518 50 10 JJGE C[C@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)cc1Cl 2197757313 RFHNOMOQOIIRNI-HXUWFJFHSA-N 472.832 4.995 50 10 JJGE Fc1cc2c(cc1I)nc(CCCl)n2[C@H]1C[C@H](Br)C1 2277871858 AEFHUNSSBDYFGK-ZKCHVHJHSA-N 457.512 4.660 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@H](Br)CC12CCC2 2283660571 CPXUEWWRSSKEMM-NSHDSACASA-N 468.560 4.867 50 10 JJGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCc2ccccc2)c1 2296543617 RETHKRIIFNSYOI-UHFFFAOYSA-N 464.525 4.635 50 10 JJGE CC[C@@]1(C)[C@H](Br)CCN1c1ncc(I)cc1Br 2300038955 NAXDDNQOSAOVIZ-PWSUYJOCSA-N 473.978 4.591 50 10 JJGE C[C@](CCl)(NCc1ccc(I)c(Br)c1)C(F)(F)F 2325214677 RAXSZAAACCZHFZ-SNVBAGLBSA-N 456.471 4.703 50 10 JJGE N#CC(=Cc1cccc(Br)c1)C(=O)Nc1ccccc1I 2329696432 SHXVCXGGJVQWHB-UHFFFAOYSA-N 453.077 4.599 50 10 JJGE O=C(N[C@@]1(CBr)C[C@H]2CC[C@H]1C2)c1ccc(Cl)cc1I 2365590069 BXQFXOFUDSLANI-AMJWSMQMSA-N 468.560 4.628 50 10 JJGE ClCCCCCc1cn(Cc2ccc(I)c(Br)c2)nn1 2377433564 AZAQPBQBJNVMJI-UHFFFAOYSA-N 468.564 4.645 50 10 JJGE COc1cc(/C(C)=N/NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)ccc1O 19850428 NDKAIUUVANFQMC-WSDLNYQXSA-N 495.051 4.831 50 10 JJGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(SC)cc2)cc1 38682605 FZKJNUOJMPIURU-VWLOTQADSA-N 458.539 4.783 50 10 JJGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1/C(=N/NC(=O)c1cccnc1)CCC2 40814110 PYIPKXUGRZTNNT-BHGSVWKISA-N 460.509 4.574 50 10 JJGE O=C(N/N=C\c1cc(Cl)c(O)c(Cl)c1O)c1ccc2[nH]c(Cc3ccccc3)nc2c1 169925796 JHKIBLQGPJMPME-GATIEOLUSA-N 455.301 4.636 50 10 JJGE CCO[Si](O/C=C/CCCC/C=C/O[Si](OCC)(OCC)OCC)(OCC)OCC 225560853 QRQDTVGMTPJMNB-XPWSMXQVSA-N 466.720 4.698 50 10 JJGE CC(=NNC(=O)c1cc2c(s1)CCCC2)c1cccc(NS(=O)(=O)c2ccccc2)c1 254721482 OCDZHDDTZWOION-UHFFFAOYSA-N 453.589 4.582 50 10 JJGE C[C@H](Br)C[C@H]1CCCN1C(=O)c1cc(Br)cc(Br)c1 302570009 AOXQNMYFOAETAW-TVQRCGJNSA-N 454.000 4.990 50 10 JJGE O=C1Cc2cc([C@@H](Cl)c3ccccc3I)c(Br)cc2N1 380452262 PZYCCPBOXBACDX-HNNXBMFYSA-N 462.512 4.877 50 10 JJGE FC1(F)C[C@H]1OCCOc1c(Br)cc(Br)cc1CBr 689073227 YMGFZHIQRIQTQM-SNVBAGLBSA-N 464.926 4.910 50 10 JJGE CC1(C)CC[C@H](CCl)N(C(=O)c2cc(I)ccc2Br)C1 701594390 HHJVWFHQJFKREL-LLVKDONJSA-N 470.576 4.923 50 10 JJGE CC1(C)CN(C(=O)c2scc(Br)c2Br)CC[C@H]1Br 705411100 WAPJFHKUIKKZJH-MRVPVSSYSA-N 460.029 4.909 50 10 JJGE O=C(NCC[C@@H]1CCCO1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238698 WKSOXULWINLHLN-QFBILLFUSA-N 474.932 4.765 50 10 JJGE C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CCC2=NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084417723 WMVYBBWDFRHJPT-HXKBJWFLSA-N 478.505 4.851 50 10 JJGE COc1cc(OC)c(C=NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 1084510213 ZQKXUBWMHXNQOE-SNVBAGLBSA-N 476.154 4.691 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc(Br)c1O 1865688205 MZKHYIMWHPKIJB-HXUWFJFHSA-N 481.350 4.574 50 10 JJGE COc1cc(Br)c(C)cc1[C@H](Br)c1cn(C)c(Br)n1 2089722373 IZTIFUXPEBTILQ-LBPRGKRZSA-N 452.972 4.746 50 10 JJGE C[C@H]1C[C@H](CBr)CCN1C(=O)c1cccc(Br)c1Br 2115829617 DALKRTQOKUVUQB-VHSXEESVSA-N 454.000 4.847 50 10 JJGE C[C@@H](Br)CCc1cn(Cc2ccc(Br)cc2Br)nn1 2132759916 KRKSHMPEJBZBNI-SECBINFHSA-N 451.988 4.567 50 10 JJGE CN(C[C@@H](Br)C1CCCCC1)C(=O)c1ccc(I)cc1 2167654206 VCOVQNBNCJUYLW-OAHLLOKOSA-N 450.158 4.707 50 10 JJGE C[C@H](Br)CN1CCCN(Cc2c(Br)cccc2Br)CC1 2176828721 QHSZWSBTLOGJCN-LBPRGKRZSA-N 469.059 4.503 50 10 JJGE CN(C(=O)c1cccc(Br)c1Br)[C@@H](CCBr)C(F)(F)F 2178510193 JZFWQCFHLMSYEZ-VIFPVBQESA-N 481.932 5.000 50 10 JJGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)Cc1ccccc1Br 2213761565 YESPDLFKFYEYFA-HNNXBMFYSA-N 475.246 4.955 50 10 JJGE O=C(c1csc(I)c1)N1C[C@H](Br)CC12CCCCC2 2232254034 OOUXBBCHNGPGKA-LLVKDONJSA-N 454.171 4.665 50 10 JJGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C)cc3)nc3ccccn3c2=O)cc1 2314531396 AGTITQRARCKYMT-UHFFFAOYSA-N 494.507 4.518 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCCS(=O)(=O)C1 2365218943 FWLBUNPGPHXQQW-KCJUWKMLSA-N 493.030 4.920 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1C[C@@H]2CCC[C@@]2(CBr)C1 2365596630 AMDSHCKZEXXAPK-ZUZCIYMTSA-N 468.560 4.582 50 10 JJGE Cn1cc(I)c(CC(CCl)(CCl)c2ccccc2Br)n1 2367585763 HURJANXENVJQDY-UHFFFAOYSA-N 487.994 4.745 50 10 JJGE COc1ccnc(OCc2ccc(I)c(Br)c2)c1CCl 2377617862 ZIRIHMDRBMBDJZ-UHFFFAOYSA-N 468.516 4.775 50 10 JJGE Cc1cccc(NC(=O)CN2C(=O)/C(=N/NC(=O)c3ccc(-c4ccccc4)cc3)c3ccccc32)c1 1921830 OHEHFWDVIRETPG-VEWQFJOQSA-N 488.547 4.781 50 10 JJGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)COc3ccccc3OC)c(OC)c2)cc1OC 31902076 LLIWUHRYDOXAFJ-MOSHPQCFSA-N 475.497 4.770 50 10 JJGE O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OC(=O)c2ccc(F)cc2)cc1 32522861 LSWUCWGJJBFNCP-DHRITJCHSA-N 465.531 4.897 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1OC 38658658 OMOROPNJIRNESG-RUZDIDTESA-N 476.916 4.723 50 10 JJGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)o1 38659096 CHJUQWDMSVEGEA-FQEVSTJZSA-N 451.276 4.788 50 10 JJGE COc1ccc(CCC(=O)N/N=C2\C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)c(O)c1 59157248 VRKBGKLXFYRRFL-OLFWJLLRSA-N 498.366 4.708 50 10 JJGE CCc1nn(C)c(COc2c(Br)cccc2CBr)c1Br 91332887 PJYRKMULAJUSEB-UHFFFAOYSA-N 466.999 4.981 50 10 JJGE CC[C@H](CCBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 134626472 UJYHEMRUQGMXPY-MRVPVSSYSA-N 454.011 4.598 50 10 JJGE O=S(=O)(NC[C@@H]1CCCC[C@H]1Br)c1c(Cl)cc(Br)cc1Cl 136973335 DSFPEEFFFQZTHG-WCBMZHEXSA-N 480.049 4.988 50 10 JJGE O=C(CNc1cccc2ccccc12)NN=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 254405383 STXPAGXHNVITDN-UHFFFAOYSA-N 468.469 4.529 50 10 JJGE C[C@@H](Cn1c(CCl)nc2cc(I)ccc21)N(C)Cc1ccccc1 390467900 BAYJCHIILXNOOM-AWEZNQCLSA-N 453.755 4.900 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)NCC[C@@H](C)CCBr)cc1Br 397870557 IRPYFSQHZJOEEH-VIFPVBQESA-N 492.071 4.610 50 10 JJGE C[C@@H](Br)[C@H]1CCCN(C(=O)c2cc(Br)c(Br)s2)C1 688976235 FOODMBYHIGMHQD-SFYZADRCSA-N 460.029 4.909 50 10 JJGE C[C@@H](CBr)[C@H]1CCCCN1C(=O)c1ccc(I)c(Cl)c1 696712181 MFRSJVKRMGFBLY-IINYFYTJSA-N 470.576 4.970 50 10 JJGE CC[C@H](C[C@@H](C)Br)NC(=O)c1cc(Br)ccc1I 716935724 DGFGMNDXVSOLOW-PSASIEDQSA-N 488.989 4.736 50 10 JJGE CCN(CC(=O)Nc1c(F)cccc1F)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C 912609180 ADBAZRFIPVJKTD-CPNJWEJPSA-N 480.490 4.906 50 10 JJGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(Cl)c2)CCC3)c(OC)c1 1772746291 UGZMAMHHRIMBLL-UHFFFAOYSA-N 481.936 4.981 50 10 JJGE CCOC(=O)c1c(NC(=O)NN=Cc2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCCC2 1772752244 CRJFIDMOXKDVTA-UHFFFAOYSA-N 450.904 4.521 50 10 JJGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865688823 BWJWMWHQKCILSF-HXUWFJFHSA-N 450.926 4.792 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1865700211 NEQHMYLTOQGFAO-OAHLLOKOSA-N 466.250 4.870 50 10 JJGE N#C/C(=C(/O)CN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Br)cc2)cs1 1872746468 JJYVPWHYWSNVHF-VLGSPTGOSA-N 466.316 4.661 50 10 JJGE CC(C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1)N1C(=O)c2ccccc2C1=O 1872751063 RVVPAAKMRHKLMH-WBVCGYLZSA-N 487.537 4.695 50 10 JJGE CC[C@@H](C[C@H](C)Br)Nc1ncc(I)cc1Br 1988534076 FRJOYFFLYBSREP-CBAPKCEASA-N 461.967 4.813 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2CCCCC2(F)F)C1 2020373492 WAHQKWWEQHQDNE-XJKSGUPXSA-N 459.315 4.786 50 10 JJGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1scc(Br)c1Br 2042542310 IXHAPOAYXSSSBP-AYHNYZOXSA-N 458.013 4.565 50 10 JJGE C[C@]1(CCBr)CCN(C(=O)c2cc(Br)sc2Br)C1 2068152033 SFUUHLNCDOLIBQ-LBPRGKRZSA-N 460.029 4.910 50 10 JJGE COc1cc(Cn2nc(CBr)c(I)c2C(F)(F)F)ccc1F 2079251349 SLRIXNHYPPKQBW-UHFFFAOYSA-N 493.036 4.597 50 10 JJGE CS(=O)(=O)c1csc([C@@H](Br)c2cc(Cl)ccc2I)c1 2093075061 SOKZRAPKDPJSQU-LBPRGKRZSA-N 491.597 4.894 50 10 JJGE CC1(C)[C@H](CBr)OCCN1Cc1ccc(Br)cc1Br 2103395299 UOVJGYFDCWGWIG-ZDUSSCGKSA-N 456.016 4.586 50 10 JJGE CCc1ccc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)CC(F)(F)F 2123267343 GAZUEGFVZAVTII-UHFFFAOYSA-N 450.320 4.897 50 10 JJGE Cc1ncc(-n2c(CCl)nc3cc(I)ccc32)cc1Br 2148877293 JDRJLFSISCMHQH-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE O=S(=O)(c1ccc(Br)c(CCl)c1)N(Cc1ccccc1)CC1CCOCC1 2152170429 SKQORTVUWPTWSF-UHFFFAOYSA-N 472.832 4.805 50 10 JJGE CC(C)(C)C[C@H](CBr)CNC(=O)c1ccc(F)cc1I 2156326901 SCYYJPRFLBUEJV-SNVBAGLBSA-N 456.137 4.607 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@](CCl)(C(F)(F)F)C1 2167689007 ABSXJUQUGIOXAW-JTQLQIEISA-N 455.521 4.907 50 10 JJGE CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(CBr)cc1Cl 2179793631 WXRBMKIMXVSCSX-UHFFFAOYSA-N 471.848 4.520 50 10 JJGE CCn1cc(Br)c([C@@H](Br)c2cc3c(cc2Br)OCC3)n1 2181185589 GNMSRMYHIVBFNO-ZDUSSCGKSA-N 464.983 4.847 50 10 JJGE Cc1ccc(S(=O)(=O)N2CC[C@]2(C)CCOCc2ccccc2)cc1CBr 2197757030 ZSUDQZSTHAYITP-OAQYLSRUSA-N 452.414 4.650 50 10 JJGE ICC1(OCCOCCOCCOCc2ccccc2)CCCCCC1 2227777500 HRRHNNBRANTEQW-UHFFFAOYSA-N 476.395 4.781 50 10 JJGE CN(C(=O)c1ccc(Cl)c(I)c1)[C@@H]1CCCC[C@H]1Br 2268345582 GSKSJTIUUDMOML-ZWNOBZJWSA-N 456.549 4.723 50 10 JJGE CC1(C)C[C@H](Br)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2295309456 JRYMDNARYMBKCZ-LLVKDONJSA-N 468.027 4.919 50 10 JJGE Cc1cc(C=C(C#N)C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)c(C)n1-c1ccccc1F 2297486638 ZBQJNUBMLRPQIG-UHFFFAOYSA-N 457.505 4.811 50 10 JJGE COC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2cc(C)c(Cl)c(C)c2)c(OC)c1 2314772709 OPUNQPAEDWBXPA-UHFFFAOYSA-N 457.910 4.810 50 10 JJGE CC(C)Oc1ccc(C=C(C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)c2ccccc2)cc1 2328569342 XQMJWDJOEOPINT-XMMPIXPASA-N 484.600 4.791 50 10 JJGE COc1ccccc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)n1 2331281701 HFHVBRYEVYXSLQ-UHFFFAOYSA-N 494.532 4.960 50 10 JJGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4cccs4)cs3)CC2=O)cc1 2331326558 IHUXULLBQQDPFW-HNNXBMFYSA-N 465.556 4.894 50 10 JJGE CN(CC[C@H](Br)c1cccs1)S(=O)(=O)c1sccc1Br 2366234344 XLQWAWXWONVWMC-VIFPVBQESA-N 459.250 4.719 50 10 JJGE COc1ccccc1[C@H](CI)OCc1cccc(I)c1 2367351339 BCFFEJDOTGARKB-INIZCTEOSA-N 494.110 4.993 50 10 JJGE C=CCn1c(SCC(=O)NNC(=O)c2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1Cl 9825833 AHIZSOHGPINANF-UHFFFAOYSA-N 496.807 4.645 50 10 JJGE C/C(=N/NC(=O)c1ccn(Cc2cccc(Br)c2)n1)c1ccc(Br)cc1 12363952 MKOFVXZAIVOZCL-XKZIYDEJSA-N 476.172 4.610 50 10 JJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 13983209 UNLGSAMGETWLAV-INIZCTEOSA-N 485.378 4.721 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCCC)c2)cc1 14041980 ZPDUTHMQXHURKV-UHFFFAOYSA-N 471.623 4.774 50 10 JJGE COc1ccc(NCC(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1 27498250 JWWRKWBFSDDMAN-VULFUBBASA-N 468.351 4.599 50 10 JJGE CCC[C@@H](C)c1nc(N2CCCN(C(=O)CCCl)CC2)c2c(C)nn(-c3ccc(F)cc3)c2n1 37379231 QNODHRGTCWLHQE-QGZVFWFLSA-N 487.023 4.834 50 10 JJGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc21 38649947 QBPXUHZDZHHBBQ-QFIPXVFZSA-N 477.314 4.895 50 10 JJGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc21 38700779 JWWLLVLHWHJHFE-SXOMAYOGSA-N 498.535 4.829 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40658086 CYQYOVVZRLIEPE-UHFFFAOYSA-N 487.432 4.586 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Cl)cc2Cl)c(OC)c1 40978130 SPKJRMNTVADBHM-MHWRWJLKSA-N 477.344 4.810 50 10 JJGE Cc1cc(Br)c(N2C(=O)/C(=C\c3ccc(N(C)CCCl)cc3)C(=O)N=C2O)cc1C 59859675 RBBULWIDQKPUNM-ATVHPVEESA-N 490.785 4.612 50 10 JJGE COc1ccc(OC)c([C@H](C(=O)NC2CCC(C)CC2)N(Cc2ccc(F)cc2)C(=O)CCl)c1 97914775 GDVFERDKKAFTQO-DZMFODKZSA-N 491.003 4.847 50 10 JJGE O=C(NC[C@H]1CCC[C@H](Br)C1)c1ccc(Br)cc1Br 227754671 HQZAFJHORIOMEQ-UWVGGRQHSA-N 454.000 4.895 50 10 JJGE CC(CC(=O)Nc1ccc(Cl)cc1C)=NNC(=O)COc1ccc(C)cc1Br 252609335 HRWPPWCYRUOSQD-UHFFFAOYSA-N 466.763 4.619 50 10 JJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C(C)C)cc3)cc2OC)cc1 254560595 YGAYHSSWJKZPNV-UHFFFAOYSA-N 476.529 4.576 50 10 JJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C)cc3)cc2OC)cc1 254600109 CMBBDJOOZFEXDQ-UHFFFAOYSA-N 490.556 4.931 50 10 JJGE CCCCOc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3F)cc2)cc1 263627809 SGASNBIVJSFPCH-UHFFFAOYSA-N 464.493 4.753 50 10 JJGE ClCCc1nc2cnccc2n1-c1ccc(I)cc1Br 312235173 GPNPYMHVCCTRCU-UHFFFAOYSA-N 462.516 4.569 50 10 JJGE O=S(=O)(Nc1ccc(I)cc1Br)c1cccc(CCl)c1 312331291 JDOIXYRJHFYRRU-UHFFFAOYSA-N 486.556 4.593 50 10 JJGE CC1(C)C[C@H](Cl)CCN(C(=O)c2cc(I)ccc2Br)C1 395354468 UFFZHWLRXKVDLB-SNVBAGLBSA-N 470.576 4.923 50 10 JJGE CC[C@H](C[C@@H](C)Br)NC(=O)c1cc(I)ccc1Br 716940971 RVPKXGQZHQXZGO-PSASIEDQSA-N 488.989 4.736 50 10 JJGE C[C@@H](CCl)[C@@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 721615828 DSFCTLOEWIHIBZ-HZMBPMFUSA-N 470.576 4.923 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccc(OC(F)(F)F)cc2)C1 725425038 NNDRVDWDMPIDIO-OCCSQVGLSA-N 471.257 4.971 50 10 JJGE COc1cc(C=NNC(=O)c2ccoc2C)cc(Br)c1OCc1ccc(F)cc1 1084609306 LLEPAXHAGJJQBN-UHFFFAOYSA-N 461.287 4.841 50 10 JJGE COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccc(Cn4ccnc4)cc3)c2C)cc1 1087005936 QFOKANGZBUACGD-MYYYXRDXSA-N 465.557 4.571 50 10 JJGE C#CCN(C(=O)/C(C#N)=C\c1cc(C)n(-c2cccc3ccccc23)c1C)C1CCN(C)CC1 1536121504 ARGIIBGLDSIIFR-PLRJNAJWSA-N 450.586 4.710 50 10 JJGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1ccc(Cl)cc1 1865694607 ZVJAUFJQXXTFGH-FQEVSTJZSA-N 450.926 4.714 50 10 JJGE BrCc1cc(Br)c(OC[C@@]23CCOC[C@H]2C3)c(Br)c1 1880400381 SJPXMUYMBPQNKU-YGRLFVJLSA-N 454.984 4.912 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)Cc1c(Cl)cccc1Br 1884185873 ZDEPBKURFHNUDX-JTQLQIEISA-N 457.549 4.705 50 10 JJGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1csc(I)c1 1914654394 GKHZJDXQAMCQTB-LLVKDONJSA-N 464.166 4.779 50 10 JJGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1cscc1Br 1915100164 BURVXICZVNAORG-LBPRGKRZSA-N 467.248 4.875 50 10 JJGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)C1CC(OCc2ccccc2)C1 1958928450 OPJMGRUFYNJSLU-XPPIMPSXSA-N 480.468 4.986 50 10 JJGE BrCc1ccc(Br)c(I)c1Br 2054855432 PMBOJMFAMDLLHX-UHFFFAOYSA-N 454.725 4.711 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@@H]2CCC[C@]2(CBr)C1 2159403693 DDUAMYXAVJTDFD-BONVTDFDSA-N 466.011 4.849 50 10 JJGE O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N1CCCN(Cc2ccccc2)CC1 2179834463 JBMIPMATZNUXCA-UHFFFAOYSA-N 492.266 4.785 50 10 JJGE Brc1cccc([C@@H](CI)OC[C@H]2CC23CCOCC3)c1 2198365526 GCWDYMJPAKBBNO-UKRRQHHQSA-N 451.142 4.759 50 10 JJGE CC[C@H](Br)CN(CC)C(=O)Cc1cc(Br)cc(Br)c1 2277920457 QJRSPMCINQIMCL-NSHDSACASA-N 456.016 4.776 50 10 JJGE CC1(C)[C@H](Br)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2277934750 BLHVXFGAGGOZOU-GFCCVEGCSA-N 454.000 4.529 50 10 JJGE O=C(NN=Cc1cc2c(cc1Cl)OCO2)C(=Cc1cccs1)NC(=O)c1ccccc1Cl 2293968622 JBIUBTNOLGKVKF-UHFFFAOYSA-N 488.352 4.705 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)NCC[C@H]1CCC[C@H]1Br 2295307104 FNYHHMGELMIIBP-BXUZGUMPSA-N 468.027 4.824 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OC 2313518818 VCPMYFZJMHCOEP-UHFFFAOYSA-N 482.705 4.898 50 10 JJGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc3cc(Br)ccc3o2)c(OC)c1 2314792515 KSPNYIYTAWDCAO-UHFFFAOYSA-N 483.318 4.856 50 10 JJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2csc(Br)c2Br)[C@@H]1C 2321281428 BBRLXPLMGMCQBZ-OOZYFLPDSA-N 460.029 4.907 50 10 JJGE C[C@@H]1[C@H](Br)CCN(C(=O)c2scc(Br)c2Br)[C@@H]1C 2321284735 ILOGJFQZYNYFPJ-XLPZGREQSA-N 460.029 4.907 50 10 JJGE Cc1cc(CBr)ccc1N(C)Cc1c(Br)c(Br)nn1C 2364376379 KSGXUQXZUOACLY-UHFFFAOYSA-N 466.015 4.785 50 10 JJGE CCOc1ccc(/C=N/NC(=O)/C(=C\c2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2)cc1 8427236 NKBBZJJEDOLQFV-UZHRPMJNSA-N 484.600 4.853 50 10 JJGE Cc1cc(C)cc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)c1 14665503 HWLUSVVEMWXKKE-UHFFFAOYSA-N 497.389 4.527 50 10 JJGE C=CCc1cccc(/C=N/NC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)c1O 27520143 WMQVVGIXTWZNJX-CVKSISIWSA-N 478.346 4.899 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2Cl)cc(I)c1OC 33413469 UWZOCMOHIKLABW-QPEQYQDCSA-N 482.705 4.816 50 10 JJGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc1 39992917 HOOAWFVYVIXPNL-XDJHFCHBSA-N 466.497 4.603 50 10 JJGE CCCCN(C(=O)CCl)[C@H](C(=O)NC1CCCCCC1)c1ccc(OCC)c(OC)c1 97914946 NAHPBJYVZFUMFY-QHCPKHFHSA-N 453.023 4.842 50 10 JJGE C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N/NC(=O)COc1ccc(C)cc1Br 100996602 CWSRIHZVFVIKMN-ZMFRSBBQSA-N 486.288 4.676 50 10 JJGE O=C(NN=Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1)c1ccco1 254294395 YOPKCMGJQLZJJE-UHFFFAOYSA-N 469.460 4.621 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C)cc3)cc2OCC)cc1 254442631 GLFZZWBGXOGDRS-UHFFFAOYSA-N 490.556 4.931 50 10 JJGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccccc3O)nnc2-c2ccc(C)cc2)cc1 254446455 KYZYJTZZYIZGGQ-UHFFFAOYSA-N 487.585 4.589 50 10 JJGE CC(=NNC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1cccc([N+](=O)[O-])c1 254757587 AFBGTGYTIOROMO-UHFFFAOYSA-N 473.605 4.680 50 10 JJGE O=C(N[C@@H]1CCC[C@H](CBr)C1)c1cc(Br)c(Br)s1 385072871 UQLOMSCBVLNKEQ-JGVFFNPUSA-N 460.029 4.957 50 10 JJGE C[C@H]1C[C@@H](CBr)CN(C(=O)c2ccc(Br)cc2Br)C1 398839843 UBODUASEWOFBAB-UWVGGRQHSA-N 454.000 4.705 50 10 JJGE C[C@H]1CC[C@H](CBr)CN1c1ncc(C(F)(F)F)cc1I 686107513 VARFIQSSCSLPGJ-DTWKUNHWSA-N 463.079 4.705 50 10 JJGE C=CCO[C@@H]1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)C1 1536716178 ZPARTXAYXJXHFS-OOIVEFLKSA-N 454.368 4.567 50 10 JJGE CCCOc1ccc(C=NNC(=O)COc2ccc(Br)cc2C(C)C)cc1OC 1772755416 GOYXZBBTJIHYFN-UHFFFAOYSA-N 463.372 4.899 50 10 JJGE CC(C)(C)c1ccc(OCCCC(=O)NN=Cc2ccc(O)c([N+](=O)[O-])c2)c(Br)c1 1772755700 PLQGRGADGRBEGC-UHFFFAOYSA-N 478.343 4.670 50 10 JJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1 1865692769 FZFAHDXMFCBJMT-IBGZPJMESA-N 470.451 4.907 50 10 JJGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865693614 XHWVISMTJHMSRL-NRFANRHFSA-N 480.952 4.722 50 10 JJGE COc1ccc(-c2ccc(C(=O)N/N=C\c3ccc(Br)cc3)c(C)n2)cc1OC 1865760701 LFWHAFZOBXUBDK-CFRMEGHHSA-N 454.324 4.601 50 10 JJGE CC[C@@](C)(NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(SC#N)cc1 1866867057 MBODPNCEJCDTNE-HYBUGGRVSA-N 481.647 4.522 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1873793619 SUCJEBKORGSENN-RPRPLSGUSA-N 453.583 4.964 50 10 JJGE Cc1c([N+](=O)[O-])cc(/C(O)=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1[N+](=O)[O-] 1873940706 DEEJFNASJAOFGV-JXAWBTAJSA-N 453.392 4.793 50 10 JJGE Cc1ccc(CC[C@H](Br)CN2C(=O)c3ccccc3C2=O)cc1Br 1905406003 RAENKFGHTFOTPH-AWEZNQCLSA-N 451.158 4.750 50 10 JJGE O=[N+]([O-])c1c(CBr)nn(Cc2ccc(C(F)(F)F)cc2F)c1C(F)(F)F 2079258181 GGYXYJADUDPGQZ-UHFFFAOYSA-N 450.108 4.911 50 10 JJGE CCc1ccccc1-n1nc(CBr)c(I)c1C(F)(F)F 2079260767 NZRSUUOIUMNTRI-UHFFFAOYSA-N 459.047 4.953 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CCS[C@H](CCBr)C1 2092327407 AIMFHUUUPSMVED-SECBINFHSA-N 472.040 4.554 50 10 JJGE O=C(N[C@@H]1CCCC[C@H]1CCCl)c1cc(Br)ccc1I 2146741097 XHNWLBZXZBEWOZ-IINYFYTJSA-N 470.576 4.971 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CCC2(CC1)C[C@H]2CCl 2148895388 HNSPJUOOBCQQKR-JTQLQIEISA-N 468.560 4.535 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC2(CCC2)C[C@H]1CBr 2151516996 XYAFYIDCUFGLJE-ZDUSSCGKSA-N 466.011 4.991 50 10 JJGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N(C)[C@@H]1CC[C@H]1OCc1ccccc1 2156445895 YXFWSBWADRTZRD-RTBURBONSA-N 472.832 4.865 50 10 JJGE Cc1sc(C)c(S(=O)(=O)N[C@@H](C)CCCCCI)c1Br 2174523008 IDEGUALDZUYDRR-VIFPVBQESA-N 494.258 4.790 50 10 JJGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)CC2CCC2)c(CCBr)c1 2179835322 SCIZNHHHYSGYSV-UHFFFAOYSA-N 452.414 4.624 50 10 JJGE COc1cc(F)c(Br)cc1[C@@H](Br)c1c(Br)nn(C)c1C 2188145150 BICURPNJZUYOFJ-GFCCVEGCSA-N 470.962 4.886 50 10 JJGE F[C@@H](COc1c(Br)cc(CBr)cc1Br)[C@@H]1CCOC1 2229950529 ULZMXXGBHMBKCN-SKDRFNHKSA-N 460.963 4.860 50 10 JJGE Cc1ccc(I)c(C(=O)N[C@H](CBr)C2CCCCC2)c1 2240914409 OCBQUVQBUSQAIA-OAHLLOKOSA-N 450.158 4.673 50 10 JJGE C[C@H](Br)CN(c1ncc(I)cc1Br)C1CCC1 2250503071 JAEKKNGRGGQLPX-QMMMGPOBSA-N 473.978 4.591 50 10 JJGE COc1ccccc1NC(=O)COc1ccc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc1 2294143704 ALSLMNVYAPROLM-UHFFFAOYSA-N 455.514 4.875 50 10 JJGE CC1(C)[C@@H](Br)CCCN1C(=O)Cc1cc(Br)cc(Br)c1 2295312664 ZWDDMFCHOKYMJW-ZDUSSCGKSA-N 468.027 4.919 50 10 JJGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)OCC)cc2OC)cc1 2314735018 MQIKLADUUQNSMX-UHFFFAOYSA-N 474.513 4.857 50 10 JJGE N#CC(=Cc1ccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)cc1)c1ccc(Cl)cc1 2320506482 KOYYABYYCQRCRE-UHFFFAOYSA-N 456.885 4.996 50 10 JJGE CC(C)(CI)CN1CCC[C@H]([C@@H]2CCCCN2C(=O)OC(C)(C)C)C1 2326671407 CZMQMBLYIQLAGB-IRXDYDNUSA-N 464.432 4.949 50 10 JJGE Cc1cc(=O)oc2cc(OCC(=O)NN=Cc3cccc(OCc4ccccc4Cl)c3)ccc12 2328792004 UCELDISYNYOGKS-UHFFFAOYSA-N 476.916 4.863 50 10 JJGE COc1cccc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c1OCc1ccc(F)cc1 2328824672 QJXDWZWWZWBKMM-NRFANRHFSA-N 487.572 4.803 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)cc1OC 2331245104 SXZKSWJMDRHLCK-UHFFFAOYSA-N 468.447 4.902 50 10 JJGE CC(C)CCOc1ccccc1C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 14033714 HDRSKSFTJAAJRX-UHFFFAOYSA-N 466.365 4.598 50 10 JJGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)c1 38684387 XWANJKASONKYBS-MHZLTWQESA-N 470.525 4.986 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(F)cc2F)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40659371 FCDSPPWAQSXCNC-UHFFFAOYSA-N 476.443 4.682 50 10 JJGE Cc1ccc2cccc(Oc3ncnc(NNC(=O)COc4ccc(Cl)cc4Cl)c3N)c2n1 40752347 QDTWWQBNURQMGF-UHFFFAOYSA-N 485.331 4.537 50 10 JJGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)C)ccc1OC(C)C 40951033 ZLAWVHWXOKFGBE-WYMPLXKRSA-N 463.372 4.897 50 10 JJGE Cc1ccc(S(=O)(=O)N/C(C#N)=C\[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 103641460 ODQBWNJKWQTZAY-GYHWCHFESA-N 483.553 4.632 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(C)cc1 206739904 HEOAEVGSYIDYIC-JWGURIENSA-N 488.540 4.975 50 10 JJGE N#C/C(=C/Nc1ccc(F)c(F)c1F)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216507842 GCESLFOUGVOOON-UZYVYHOESA-N 476.502 4.857 50 10 JJGE O=C(NCC1(CCl)CCCCC1)c1cc(Br)ccc1I 236014942 RRBPXHYUPUYDKP-UHFFFAOYSA-N 470.576 4.973 50 10 JJGE O=C(CNC(=O)c1cccc2ccccc12)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 254702084 QLDAFBOPCZEFHP-UHFFFAOYSA-N 491.526 4.712 50 10 JJGE Fc1cc(F)cc([C@H](Br)c2cc(I)cc3c2OCC3)c1 380225092 KAGHZDSQDJONFJ-AWEZNQCLSA-N 451.048 4.989 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccccc2S)C1 394745149 ZIWOYIWYAOYTLK-DOTOQJQBSA-N 453.345 4.763 50 10 JJGE C[C@H]1CCCN(C(=O)c2scc(Br)c2Br)[C@H]1CBr 688645942 BFEPOSYLUVUYSX-CBAPKCEASA-N 460.029 4.909 50 10 JJGE C[C@@]1(CCl)CCCCN1C(=O)c1cc(Br)ccc1I 723003370 JUKZIUIKIAQUBY-AWEZNQCLSA-N 456.549 4.677 50 10 JJGE Cc1occc1-c1cc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)n(CCO)n1 727316346 GDINVMBJXQYABI-DEDYPNTBSA-N 473.508 4.536 50 10 JJGE Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCC(NC(=O)c4ccoc4C)CC3)c2C)c1 727333335 TUPYBNCRKMNCTJ-KQWNVCNZSA-N 470.573 4.632 50 10 JJGE COc1ccc(N2N=C(C#N)C3=C([C@@H]2c2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(N)O3)cc1 1088661345 XWPPYRQPYJXTOV-AHWVRZQESA-N 459.509 4.898 50 10 JJGE CC(=O)CCc1ccc(OCc2cccc(C(=O)NNc3ccc(C(F)(F)F)cn3)c2)cc1 1448003527 WBKOPILOUCLLAQ-UHFFFAOYSA-N 457.452 4.958 50 10 JJGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1cccc(Cl)c1 1865692481 GJHDXYWUBJXLGG-HXUWFJFHSA-N 450.926 4.714 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865710081 NUEONFDGMJSCFU-QHCPKHFHSA-N 497.486 4.872 50 10 JJGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4cccs4)cs3)CC2=O)cc1 1872750396 IHUXULLBQQDPFW-OVFHLDOESA-N 465.556 4.894 50 10 JJGE O=S1(=O)CC[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924583922 QQCVKBUHSZGLIA-FBCQKBJTSA-N 487.460 4.750 50 10 JJGE Cc1ccc(Br)c(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)n1 2003268831 XPXFAEYMRFRZLZ-KRWDZBQOSA-N 452.190 4.968 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN=c1[nH]cc(Br)c2ccsc12 2061267585 GAXJRYMSOGMINM-UHFFFAOYSA-N 464.476 4.799 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CC[C@@H](Br)[C@@H]1C1CC1 2067018092 WAFDVBYGVAKAOZ-SCZZXKLOSA-N 458.013 4.661 50 10 JJGE CC1(C)[C@@H](CBr)CCN1C(=O)c1cc(Cl)ccc1I 2095212692 MBJFKFXLNLAPHX-SECBINFHSA-N 456.549 4.580 50 10 JJGE CC(C)(C)OC(=O)N1CC2(CCS(=O)(=NC[C@@H](CBr)C(C)(C)C)CC2)C1 2119540284 FFIVIECZVXZVEI-OAHLLOKOSA-N 451.471 4.543 50 10 JJGE COCC12CC([C@@H](Br)c3ccc(Br)cc3Br)(CO1)C2 2141166900 UJQXHAFPDLROQF-HSBZDZAISA-N 454.984 4.843 50 10 JJGE Fc1cc(Br)cc(N2CC[C@]3(CN(Cc4ccccc4)CCO3)C2)c1CCl 2170692792 UPEJMKFMSLKOKU-NRFANRHFSA-N 453.783 4.808 50 10 JJGE C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2179862352 VFYMUFHSOCHSJF-CQSZACIVSA-N 492.266 4.783 50 10 JJGE O=C(NC[C@@]1(CCl)C[C@H]1C(F)(F)F)c1scc(Br)c1Br 2192573196 PDGYYKSMADJVSQ-LDWIPMOCSA-N 455.521 4.810 50 10 JJGE C[C@H](Br)[C@H]1CCCN(C(=O)c2ccc(Cl)c(I)c2)C1 2268346714 RBAOFOCRCVOTNL-ONGXEEELSA-N 456.549 4.580 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2283653804 KBSOJMRSWPGPBT-PUYPPJJSSA-N 468.560 4.723 50 10 JJGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3[N+](=O)[O-])SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2293038712 VSVDWUAOJJMFND-XMMPIXPASA-N 498.564 4.646 50 10 JJGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1 2293039126 FNKMHJUSAUWBBM-QHCPKHFHSA-N 457.530 4.568 50 10 JJGE CC[C@](C)(CO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)C(F)F 2299750052 PJCJMDUKUODAOC-IAGOWNOFSA-N 461.331 4.889 50 10 JJGE C[C@H]1CCN(Cc2ccc(I)c(Br)c2)[C@@H]1CBr 2306219021 HPTUUHJWKVKQRE-TVQRCGJNSA-N 472.990 4.659 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1F 2314611063 PMYIABLMTHBQMN-UHFFFAOYSA-N 470.504 4.688 50 10 JJGE FC(F)(F)[C@H]1C[C@@H](Br)CCN1c1ncc(Br)cc1Br 2336401278 ZIDMLOMGCFIIKU-IMTBSYHQSA-N 466.921 4.901 50 10 JJGE O=C(CSc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)N/N=C/c1ccc(Cl)cc1 19646069 QSPVPNOWQVJHJW-AUEPDCJTSA-N 454.964 4.547 50 10 JJGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCC2)c1 35549841 FAWMPLYJDNGEHF-XDJHFCHBSA-N 456.546 4.884 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2OC)cc1 38658810 RQSHGAVQEDQBDE-DEOSSOPVSA-N 472.497 4.540 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)c1OC 38659040 KBJJPWLDBKPEKI-XMMPIXPASA-N 492.915 4.560 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@H]1c1c(F)cccc1Cl 38680314 NUTRKYARHLTUKU-HXUWFJFHSA-N 465.824 4.825 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCC)c2)cc1 38684888 REOYKIYNQOATOH-VWLOTQADSA-N 456.498 4.921 50 10 JJGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(OC)c1OC 40924795 RXTATEAWBQBFAJ-AUEPDCJTSA-N 477.995 4.732 50 10 JJGE O=C(N/N=C1\C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1ccc(Cl)cc1Cl 59160140 LRXPGFUZSBWUQW-QQTULTPQSA-N 469.284 4.583 50 10 JJGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1C 101242626 POTJOOSXTRVWAP-GFPZRUSRSA-N 475.545 4.778 50 10 JJGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)cc1 101602875 OTDQVUSWOXJQBU-JJKYIXSRSA-N 494.551 4.595 50 10 JJGE Cc1c(C(=O)Nc2ccccc2)sc2ncn(CC(=O)/C(C#N)=C3/Nc4ccccc4S3)c(=O)c12 103908211 CUMZISXHEHGJRS-KQWNVCNZSA-N 499.577 4.541 50 10 JJGE Cc1cc(CC(CBr)(CBr)c2ccccc2Br)n(C)n1 118879012 WPHVKVVTYVOQBE-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE O=S(=O)(NC[C@@H]1CCCC[C@@H]1CBr)c1cc(Cl)c(Br)s1 136731192 LFGRCKLCZWHBGA-BDAKNGLRSA-N 465.660 4.644 50 10 JJGE CCC(CC)[C@@H](Br)CNS(=O)(=O)c1cc(Cl)c(Br)s1 230663929 XWRYPUDDVRCFMZ-QMMMGPOBSA-N 453.649 4.642 50 10 JJGE CCOc1ccc(C(C)=NNC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 254750783 BXTYGDHYAUERDF-UHFFFAOYSA-N 493.629 4.822 50 10 JJGE CCOc1ccc(Br)cc1[C@@H](Br)c1cn(C)c(Br)n1 710777175 ZUWVUYHOVDEQQI-GFCCVEGCSA-N 452.972 4.828 50 10 JJGE C[C@H](SCc1ccccc1)C(=O)NN=Cc1cc(Br)cc(Br)c1O 1084360377 RXWWELOSZCMJSU-NSHDSACASA-N 472.202 4.689 50 10 JJGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1ccccc1 1084532406 CVKJBDOWHRROQZ-RUZDIDTESA-N 458.558 4.967 50 10 JJGE C=C[C@@H](COC)NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1C 1435993186 XFXPHIOBGKGXPO-STKCSNAVSA-N 451.876 4.991 50 10 JJGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)c1 1865690129 JJBZHVNAVQNQIH-SFHVURJKSA-N 456.424 4.517 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)ccc1OC(C)C 1865695452 CRLWYAFGQSONPG-HSZRJFAPSA-N 464.953 4.907 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865710364 WLCLEXSJIQTAHC-HSZRJFAPSA-N 479.496 4.733 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)c1 1865711729 GVOLNZQZVCJFLM-LJQANCHMSA-N 454.452 4.794 50 10 JJGE Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)nn1-c1ccccc1 1866834851 WNJQOLJAYHXZOO-DEOSSOPVSA-N 481.581 4.734 50 10 JJGE Cc1csc(C(=O)N[C@H](CCBr)COCc2ccccc2)c1Br 1902790628 MVUMPBKSFLPBFG-CQSZACIVSA-N 461.219 4.919 50 10 JJGE CC1(C)C[C@@H](Br)CN(C(=O)c2cc(Cl)ccc2I)C1 1923163395 GAGARVOINTUHTL-SECBINFHSA-N 456.549 4.580 50 10 JJGE O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 2059865146 DZAKZEGJTAEOES-UHFFFAOYSA-N 480.278 4.567 50 10 JJGE FC(F)(F)c1cc(I)c(I)c(CBr)c1 2060236852 YEQDWXYJKLMCQX-UHFFFAOYSA-N 490.826 4.810 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CCC[C@@H]1CCCBr 2092339954 KOGWTORMAUCCPN-JTQLQIEISA-N 454.000 4.991 50 10 JJGE O=S(=O)(c1ccc(CCl)c(Br)c1)N(Cc1ccccc1)C[C@H]1CCCO1 2095879348 LVWRNAXDGGMQEY-QGZVFWFLSA-N 458.805 4.558 50 10 JJGE CN([C@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(CCl)ccc1Br 2100208773 XMTGFXCJKMNCKY-ZWKOTPCHSA-N 458.805 4.556 50 10 JJGE BrCCO[C@@H]1CCCN(Cc2ccc(Br)cc2Br)C1 2113857425 XMAXUPCQAQZSFL-CYBMUJFWSA-N 456.016 4.588 50 10 JJGE C[C@H]1C[C@H](CCl)CCN1C(=O)c1cc(I)ccc1Br 2115838046 WMFYNROUKZGKBS-VHSXEESVSA-N 456.549 4.533 50 10 JJGE C[C@@H](Br)CCCc1cn(-c2cc(Br)ccc2Br)nn1 2132760263 DDFLNUYXNXZSNI-SECBINFHSA-N 451.988 4.898 50 10 JJGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1c(Br)cccc1Br 2150490901 ZESRNVYYCCWJAR-GAQJKIJGSA-N 466.011 4.988 50 10 JJGE C[C@@]1(CCl)CC(F)(F)CN1C(=O)c1cc(Br)ccc1I 2159054749 PFHTZJITHGSBSP-LBPRGKRZSA-N 478.502 4.532 50 10 JJGE O=S(=O)(N[C@@H](CCl)c1ccsc1)c1cc(Br)ccc1Br 2175669631 VNBGJFLUGLUTQV-NSHDSACASA-N 459.612 4.532 50 10 JJGE CCc1ccc(S(=O)(=O)N(C)[C@@H]2CC[C@H]2OCc2ccccc2)cc1CBr 2179862580 YJGCYUHXYJJCTF-NHCUHLMSSA-N 452.414 4.512 50 10 JJGE CCn1cc(Br)c(CN(C)c2ccc(CBr)cc2Br)n1 2181212230 SYZTUGROHWNBAM-UHFFFAOYSA-N 466.015 4.959 50 10 JJGE Cc1c(Br)cccc1CO[C@H](CCl)[C@H](I)CCl 2248254449 GTEPTLOQTMZSKA-VXGBXAGGSA-N 451.957 4.924 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2C[C@H]1CC[C@@H]2Br 2295310455 XDUNKIGGIFXLSR-HONMWMINSA-N 466.011 4.529 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@@H]1CCC[C@@H](Br)C1 2295315670 OPHKUWDAELEWMM-ZYHUDNBSSA-N 468.027 4.824 50 10 JJGE CN(Cc1ccc(I)c(Br)c1)C[C@@H](Br)C1CC1 2306224400 PTMWQKQDQKGHPI-GFCCVEGCSA-N 472.990 4.659 50 10 JJGE COc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)c1 2314534116 YXDVPMIFNWKDJR-UHFFFAOYSA-N 466.497 4.658 50 10 JJGE COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4ccc(F)cc4)o3)C(C)=C(C#N)C2=O)cc1 2314620743 UFFJHUKBHKKDKP-UHFFFAOYSA-N 456.473 4.929 50 10 JJGE Clc1cc(I)c([C@@H](Br)[C@@H]2CCn3nccc3C2)s1 2316604580 BISIEGVNYMSPRL-HQJQHLMTSA-N 457.562 4.901 50 10 JJGE CCn1cc(C=NNC(=O)c2ccc(Nc3nc(O)c4ccccc4n3)cc2)c2ccccc21 2323766044 DPBUYCVLVKIJOM-UHFFFAOYSA-N 450.502 4.818 50 10 JJGE BrC[C@@]1(Cc2ccc(I)c(Br)c2)O[C@H]2CC[C@H]1C2 2327566231 AUGQTKRKSCAGGO-COPLHBTASA-N 485.985 4.929 50 10 JJGE N#CC(=C(O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2cccc(Cl)c2)cs1 2331294229 FUVHGMAXYDDWLW-UHFFFAOYSA-N 480.889 4.851 50 10 JJGE CC(C)(CBr)CCCNC(=O)c1ccc(Cl)cc1I 2340059131 SKFVJALTSSBDNO-UHFFFAOYSA-N 458.565 4.876 50 10 JJGE CCN(C[C@@](C)(CI)OCC1CC(OC)(C(F)F)C1)C(=O)OC(C)(C)C 2340634395 JVCVIIDPWYQPGC-LKGZKJKYSA-N 491.357 4.514 50 10 JJGE Cn1cc(I)c(C[C@@H](CBr)Cc2ccc(Br)cc2)n1 2341757073 ZMLHSNSGPLSQCX-NSHDSACASA-N 498.000 4.584 50 10 JJGE CC(C)(C)OC(=O)N1CC[S@@](=O)(=NC[C@](C)(CBr)C(C)(C)C)C(C)(C)C1 2352090224 SGIWHLDTCPVGES-SIBVEZHUSA-N 453.487 4.931 50 10 JJGE CCOC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 1790245 BWSQBZKDSOLISK-GMQRBVGNSA-N 475.339 4.578 50 10 JJGE COc1cc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc(OC)c1OC 9986111 LJDJJQNOYJXVED-KRWDZBQOSA-N 473.316 4.627 50 10 JJGE CC(C)CCOc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1Br 14645708 UQZHTLWDVWJQLH-UHFFFAOYSA-N 453.764 4.531 50 10 JJGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1ccc(Br)cc1 58989585 MRDILOSWQBXNCP-RGVLZGJSSA-N 479.381 4.990 50 10 JJGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244558 NUZGBXZLFMTIIL-YMGIJWJESA-N 455.539 4.760 50 10 JJGE O=C(CCc1c(F)cccc1F)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 106134153 YRPMKVXXPFBIGB-UHFFFAOYSA-N 466.513 4.527 50 10 JJGE CCOC(=O)COc1ccc(/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 214020253 WWLQQWJJKXNVOX-MFOYZWKCSA-N 465.487 4.733 50 10 JJGE O=C(NC[C@@H]1CCCC[C@@H]1Br)c1cc(Br)cc(Br)c1 232460270 QCBTWBVNRORQGI-ZANVPECISA-N 454.000 4.895 50 10 JJGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN=C/C=C\c1ccccc1[N+](=O)[O-] 254490245 SEKMOWVKUFSEPW-JNTLADTMSA-N 484.541 4.750 50 10 JJGE O=C(CCCCC(=O)NN=Cc1c(O)ccc2ccccc12)NN=Cc1c(O)ccc2ccccc12 254632945 NDHPCRVMLBYKSR-UHFFFAOYSA-N 482.540 4.565 50 10 JJGE BrCc1cc(Br)ccc1N1CC[C@H](N2CCN(Cc3ccccc3)CC2)C1 380089149 KSHMWNLSPXXWOM-NRFANRHFSA-N 493.287 4.741 50 10 JJGE O=C(CBr)c1cc(I)c(C(F)(F)F)cc1Br 575693850 BZIKHHCEIRCVLM-UHFFFAOYSA-N 471.836 4.650 50 10 JJGE O=C(CBr)c1cc(OC(F)(F)F)cc(Br)c1I 575695417 NMBVQBWDRQJYTP-UHFFFAOYSA-N 487.835 4.530 50 10 JJGE CC(C)(C)OC(=O)NCCN1CCN[C@@H](c2ccccc2CCO[Si](C)(C)C(C)(C)C)C1 616600963 DSPOPNSXYRCCCA-JOCHJYFZSA-N 463.739 4.722 50 10 JJGE C[C@@H]1CC[C@H](CBr)CN1C(=O)c1scc(Br)c1Br 688665567 KDIUEUCIVWOSKH-HTQZYQBOSA-N 460.029 4.909 50 10 JJGE CN(C[C@H]1CCC[C@H]1Br)C(=O)c1cc(Br)sc1Br 689296790 BIQHNTRSPNZDNE-VXNVDRBHSA-N 460.029 4.909 50 10 JJGE O=C(NCCc1ccccn1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237815 NGHKHHBULNDOCC-HXUWFJFHSA-N 481.927 4.834 50 10 JJGE CSc1ccc(NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1 853447303 DVOKASVLDHYVMU-KETZHDHUSA-N 485.569 4.663 50 10 JJGE C[C@@H](Sc1ccccn1)C(=O)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 1083889726 PMUPLKWKBUBUQQ-GOSISDBHSA-N 466.566 4.783 50 10 JJGE C=CCc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 1084525851 ZRZBOHZORFATGI-VCHYOVAHSA-N 470.323 4.660 50 10 JJGE CCCCCOc1ccccc1C(=O)NN=C1C(=O)N(CCOc2ccccc2)c2ccccc21 1084640371 QSTIFCVKYFGNTD-UHFFFAOYSA-N 471.557 4.815 50 10 JJGE CCOc1c(C=NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cccc1OC 1772755330 BDBNSVSBSFNGED-UHFFFAOYSA-N 463.372 4.683 50 10 JJGE CCCc1ccc(OCC(=O)NN=Cc2cccc(Br)c2)c(Br)c1 1772756079 YQDVNJPZKHLXFU-UHFFFAOYSA-N 454.162 4.693 50 10 JJGE COc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc(Br)c1O 1772756137 ZJAYRMHWNBEUDA-OAHLLOKOSA-N 469.335 4.748 50 10 JJGE CCOc1cc(OCC)cc(C(=O)N2CCC(C(=O)Nc3ccc(SC#N)cc3)CC2)c1 1860602943 KVKXFYPEFPCAMV-UHFFFAOYSA-N 453.564 4.548 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OC)c(O)c1)C(C#N)=C(N)O2 1865682546 RCGHVHKJHZYBFC-NRFANRHFSA-N 468.916 4.609 50 10 JJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)c1 1865691781 AXAONAFZLSGJCD-QGZVFWFLSA-N 476.842 4.780 50 10 JJGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)CCC(=O)c1ccc(F)cc1 1865759650 KXNQUXJKPWWVJB-UHFFFAOYSA-N 474.319 4.927 50 10 JJGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN3CCc4c(F)cccc4[C@H]3C2)n1 1868277893 LRVUMCXTUYINJZ-JOCHJYFZSA-N 460.582 4.914 50 10 JJGE C[C@@H](Br)[C@@H]1CCCCN1c1ncc(I)cc1Br 2015761935 DZRQXHBGTSOYNY-KCJUWKMLSA-N 473.978 4.591 50 10 JJGE FC(F)c1ccc(I)c(CBr)c1I 2060240737 QZIARFBAWSRXQZ-UHFFFAOYSA-N 472.836 4.728 50 10 JJGE CC[C@@H](Br)[C@H]1CCCCN1c1ncc(I)cc1Br 2069528906 MTBACFNDMKIPNU-ZYHUDNBSSA-N 488.005 4.981 50 10 JJGE CC(F)(F)C[C@H](CBr)NC(=O)c1ccc(Br)cc1Br 2113235995 PSWYXAAQUADQBD-MRVPVSSYSA-N 463.942 4.750 50 10 JJGE C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2I)[C@H]1CCl 2142289441 QHIDCDJWOZKUSP-RNCFNFMXSA-N 456.549 4.533 50 10 JJGE C[C@@H](CCCCCI)NC(=O)c1c(F)cc(Br)cc1F 2174525567 BQFAEGVRFKSRGE-VIFPVBQESA-N 460.100 4.841 50 10 JJGE O=S(=O)(N[C@@H](CBr)c1ccsc1)c1ccc(Cl)c(Br)c1 2175668407 CCLUOYIJPZDJAG-LBPRGKRZSA-N 459.612 4.579 50 10 JJGE O=C(O)C=Cc1cc(Br)c(OC[C@H]2C[C@@H](Br)C2)c(Br)c1 2196931762 LVNCIGMYPKTDEU-AOOOYVTPSA-N 468.967 4.862 50 10 JJGE Cn1nc(Br)c([C@H](Br)Cc2ccc(Br)cc2Cl)n1 2221699518 JBINRIGKOHTXTD-MRVPVSSYSA-N 458.379 4.672 50 10 JJGE Cl[C@H](c1cc(I)sn1)c1ccc2c(c1Br)CCO2 2222175685 XCJWDBXVBBSABG-LBPRGKRZSA-N 456.530 4.773 50 10 JJGE C[C@H](Cl)CN(C(=O)c1ccc(Br)cc1I)C(C)(C)C 2272499353 YZRTYULAKDQPLQ-VIFPVBQESA-N 458.565 4.922 50 10 JJGE O=S1(=O)CCC[C@@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272854379 PLGPFXDNQDIASF-VXNVDRBHSA-N 482.966 4.503 50 10 JJGE CCCn1c(CBr)nnc1Cc1cc(Br)cc(Br)c1 2277932046 ISXGXNGQHTZWPX-UHFFFAOYSA-N 451.988 4.699 50 10 JJGE N#CC(=Cc1cc(Br)c(I)o1)C(=O)Nc1ccc(Cl)cc1 2293116021 FOLOHTWFXDRDMA-UHFFFAOYSA-N 477.483 4.846 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CCC2CCN(CCI)CC2)CC1 2299451066 MJBLETPXCIWVPN-UHFFFAOYSA-N 450.405 4.561 50 10 JJGE COC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCCC(C)C)c(OC)c2)c(OC)c1 2314790236 QMWKQQADZLGYOQ-UHFFFAOYSA-N 479.529 4.827 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCc2ccc(F)cc2C2CC2)C1 2317104891 CXZQRNQHOQTGFS-IRXDYDNUSA-N 461.315 4.643 50 10 JJGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)CCCN3C(=O)c4ccccc4C3=O)c(OC)c2)cc1 2320506948 VEEFLCRRGGBGOZ-UHFFFAOYSA-N 496.519 4.750 50 10 JJGE CCN(Cc1ccccc1)c1ccc(C=NNC(=O)CSc2nc3ccccc3n2C)cc1 2322907718 BKMNNHUCCSGRHM-UHFFFAOYSA-N 457.603 4.842 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)cc1OC 2331242746 HBJZBBHQXFYCBQ-UHFFFAOYSA-N 468.447 4.902 50 10 JJGE CCOc1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)cc1 2338723718 ZXURZPRPXHPXRK-SNVBAGLBSA-N 452.972 4.828 50 10 JJGE O=C(NC[C@@H]1CCCC[C@H]1CBr)c1ccc(Cl)cc1I 2365586195 JIFOJURETCBGIP-QWRGUYRKSA-N 470.576 4.876 50 10 JJGE CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 6600244 SZTANGSXTUIXRK-SDQBBNPISA-N 480.702 4.964 50 10 JJGE C=CCOc1ccccc1C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1Br 14642265 APFWSPSLIIEOQX-UHFFFAOYSA-N 481.346 4.521 50 10 JJGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812236 ZVZWUROXZXPSPQ-NLRVBDNBSA-N 466.881 4.872 50 10 JJGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3cccc(Cl)c3)c(C)c21 40813203 SYMMANHVWYCYNA-OVVQPSECSA-N 451.910 4.973 50 10 JJGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816142 FTMIIKKMKXYJKX-ZXVVBBHZSA-N 451.910 4.729 50 10 JJGE COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)N[C@H]3CCCC[C@H]3C)cc2OC)cc1OC 97990522 NEMJSBGQVPHWRB-QUCXYMQISA-N 478.545 4.533 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cc4ccccc4cc3O)cc2OC)cc1 254703883 VFGKZNIKTAZVSS-UHFFFAOYSA-N 484.508 4.936 50 10 JJGE COc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1C 382729271 SWCIOBLJGPBGHV-RBUKOAKNSA-N 465.331 4.791 50 10 JJGE CC1(CBr)CCN(C(=O)c2cc(Br)cc(Br)c2)CC1 401521936 CMXDUOQKEWXWIK-UHFFFAOYSA-N 454.000 4.849 50 10 JJGE C[C@H](Br)[C@H]1CCCN(c2ncc(C(F)(F)F)cc2I)C1 686112923 PFLMDLCLHPNCDM-IUCAKERBSA-N 463.079 4.705 50 10 JJGE Cn1cc(Br)c([C@H](Br)c2cc(Br)c3c(c2)CCCO3)n1 693050713 FAPZFGWVJDOQIP-GFCCVEGCSA-N 464.983 4.754 50 10 JJGE CC(C)S(=O)(=O)CCCOc1c(Br)cc(CBr)cc1Br 697099819 DQIXNCXDMYOCIJ-UHFFFAOYSA-N 493.055 4.699 50 10 JJGE Cc1ccc(C=NNC(=O)COc2c(C)cc(Br)cc2Br)c(C)c1 1084559403 IEBSGMUNHUXGIV-UHFFFAOYSA-N 454.162 4.666 50 10 JJGE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)c1 1772745096 QUBBZAXZBXUXAF-UHFFFAOYSA-N 460.490 4.836 50 10 JJGE Cc1ccc(-c2csc3ncn(CC(=O)N/N=C/c4ccc(C(F)(F)F)cc4)c(=O)c23)cc1 1860773144 RTXGTGWMTITHRH-ORBVJSQLSA-N 470.476 4.603 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)c1O 1865684716 WLTMUKJKOGWWCM-INIZCTEOSA-N 476.842 4.536 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865704428 VOYTZXZXGRKIRY-HSZRJFAPSA-N 478.508 4.523 50 10 JJGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1OC 1865711489 ZRGZGMLLMODXHA-VWLOTQADSA-N 494.551 4.842 50 10 JJGE CCCOc1ccccc1/C=C/C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2F)nc1C 1865759456 BBEHGTLWAJIVAR-MDWZMJQESA-N 451.473 4.598 50 10 JJGE C[C@H]1CC[C@](CBr)(NC(=O)c2c(Br)cccc2Br)C1 1880882673 PUIYUBRBJJQZEM-XPTSAGLGSA-N 454.000 4.895 50 10 JJGE CCN(C[C@@](C)(CI)OCC1(C)CC(F)(F)C1)C(=O)OC(C)(C)C 2017229684 ZBWWEMFBDAZVTO-MRXNPFEDSA-N 461.331 4.889 50 10 JJGE O=C(CBr)c1cc(Br)c(I)c(C(F)F)c1 2054780527 BBPUCBNAZDPVLH-UHFFFAOYSA-N 453.846 4.569 50 10 JJGE FC(F)(F)Oc1c(CCl)ccc(I)c1I 2060231976 RAHNBQPATATUES-UHFFFAOYSA-N 462.374 4.533 50 10 JJGE CC1(C)[C@H](Br)CC[C@H]1NC(=O)c1scc(Br)c1Br 2086012814 UKDNKUUGPRTMGZ-HTQZYQBOSA-N 460.029 4.955 50 10 JJGE C[C@H]1C[C@@H](CBr)CCN1C(=O)c1cc(Br)cc(Br)c1 2115844932 VYQZCRICVSKKDL-UWVGGRQHSA-N 454.000 4.847 50 10 JJGE O=C(N[C@@H](CBr)c1cscn1)c1cccc(Br)c1Br 2119040639 SFDKCYWBCHEACP-VIFPVBQESA-N 468.996 4.534 50 10 JJGE COc1ccc([C@@H](Cl)c2cc(I)sn2)c(OC)c1Br 2120031746 KGFHBTJDSKKTTQ-LLVKDONJSA-N 474.545 4.856 50 10 JJGE Cc1sc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H]1COC(C)(C)C1 2123241780 NZNKDSYNJIQLGT-INIZCTEOSA-N 458.443 4.710 50 10 JJGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1c(Br)cccc1Br 2150490904 ZESRNVYYCCWJAR-NRMKKVEVSA-N 466.011 4.988 50 10 JJGE C[C@@H](c1cscc1Br)N(C)S(=O)(=O)c1csc(CBr)c1 2186576916 CTIBZIOWHVDLDY-QMMMGPOBSA-N 459.250 4.849 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1c(Br)cccc1Br 2204578307 KATFKKPAUOYVFX-WTTBSCSTSA-N 466.011 4.894 50 10 JJGE Clc1ncn(-c2ccc(Br)cc2I)c1CBr 2212602086 YLSCQDVSDZFQNW-UHFFFAOYSA-N 476.337 4.788 50 10 JJGE C[C@@H]1C[C@H](Br)[C@@H](C)N(C(=O)c2cc(Br)ccc2Br)C1 2227594454 LXWIRRRZJIMIGO-KKFJDGPESA-N 454.000 4.846 50 10 JJGE CCOC(=O)Cn1cc(C=C(C#N)C(=O)Nc2cccc(Br)c2)c2ccccc21 2294171842 CMWYXIFBHGSYDZ-UHFFFAOYSA-N 452.308 4.513 50 10 JJGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 2314634047 GLVGAUPLOCJKPD-RUZDIDTESA-N 453.454 4.740 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 2331273761 RINWAGGQHBNOPG-NRFANRHFSA-N 459.527 4.932 50 10 JJGE C=CC[C@H](Br)[C@H]1CCN1C(=O)c1c(Br)cccc1Br 2335817486 KLXRUQKJJJLEDG-JOYOIKCWSA-N 451.984 4.766 50 10 JJGE CCN(C[C@@](C)(CI)OCc1cc(Cl)cnc1OC)C(=O)OC(C)(C)C 2340116038 XVKPPOAYNAZHDH-GOSISDBHSA-N 498.789 4.711 50 10 JJGE CC(C)[C@@H](Br)C(C)(C)NS(=O)(=O)c1cc(Cl)c(Br)s1 2340406717 LUMGYUDATNZSRF-SECBINFHSA-N 453.649 4.640 50 10 JJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2ccc(Cl)cc2I)[C@H]1C 2344518954 BVPYFMONGLEQMV-AUTRQRHGSA-N 456.549 4.579 50 10 JJGE N#C/C(=C/Nc1ccc(S(N)(=O)=O)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 9311266 QXKRMZXBHCIKCW-XFXZXTDPSA-N 451.360 4.741 50 10 JJGE CC(C)c1ccc(OCC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1 12579974 HBYYKUINZKGMPR-ZVBGSRNCSA-N 454.708 4.663 50 10 JJGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1 14033002 XDFYIZDQYPOYFK-UHFFFAOYSA-N 479.602 4.513 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@H]1c1ccc(Br)cc1 38651587 OSKROBSXJVTUHY-HSZRJFAPSA-N 477.314 4.652 50 10 JJGE O=C(NNc1ncnc(Nc2cccc(Br)c2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40658798 AZVQYTUZCKAKLC-UHFFFAOYSA-N 498.124 4.955 50 10 JJGE Cc1cc(Oc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])ccc1Cl 40659547 FNHUUBDEBKJRNO-UHFFFAOYSA-N 498.710 4.968 50 10 JJGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccccc3Br)c(C)c21 40823526 NZZNEMODXJJYLO-KOEQRZSOSA-N 470.323 4.975 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccccc2OCc2ccc(F)cc2)cc1 58895469 IZJNHWTWWDNLOJ-WVVPCBRLSA-N 450.510 4.767 50 10 JJGE COc1ccc(Br)cc1/C=N/NC(=O)c1cc2cc(Br)ccc2o1 59417767 CMDYFWVZBVNORS-AWQFTUOYSA-N 452.102 4.730 50 10 JJGE COc1ccc([C@@H](C(=O)NC2CCCCCC2)N(Cc2ccccc2OC)C(=O)CCl)cc1 97915018 IJXYMMRCNNXDKG-VWLOTQADSA-N 473.013 4.852 50 10 JJGE COc1cccc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCCO3)c1OCc1ccccc1F 98063403 SXYDDICRAWYQHB-UYRXBGFRSA-N 460.461 4.730 50 10 JJGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(CC)cc1 101241509 LQOWNDAJTCSDHL-SSXUBFHHSA-N 496.430 4.740 50 10 JJGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)C1=O 101332854 JWCDSFXSHPJHGO-HZHRSRAPSA-N 452.514 4.550 50 10 JJGE O=C1OC(=O)[C@@H]2[C@@H]1[C@@H](c1ccccc1)N(c1ccc(Cl)cc1Cl)C21C(=O)c2ccccc2C1=O 105573934 XKCXHDNMLSAONS-QHAWAJNXSA-N 492.314 4.689 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2Cl)cc1Br 155821687 JUOURLVJCZVDPB-GWCFXTLKSA-N 459.631 4.596 50 10 JJGE O=C(CBr)c1c(I)ccc(Br)c1OC(F)(F)F 575695484 ORJZGSZXIJEKAB-UHFFFAOYSA-N 487.835 4.530 50 10 JJGE CN(C)c1nc(COc2c(Br)cc(Br)cc2CBr)ns1 699155474 FVPJTYZFZGPRPD-UHFFFAOYSA-N 486.027 4.603 50 10 JJGE C[C@@H]1CCN(C(=O)c2cc(Br)sc2Br)C[C@@H]1CBr 700420944 XRUFAXADZRJTPD-SFYZADRCSA-N 460.029 4.766 50 10 JJGE C#CCOc1ccc(C=NNC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1Br 1084309211 DSJRKBDWQFZHCX-UHFFFAOYSA-N 490.401 4.614 50 10 JJGE CC(=O)N1CCCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)c2ccccc21 1523629593 KMIMOCSMDRCQAH-JWGURIENSA-N 456.521 4.930 50 10 JJGE Nc1cc(C(F)(F)F)ccc1[C@H]1CN(Cc2ccccc2)C[C@H]1CI 1614639997 DLBYSYGCLSMGRW-PBHICJAKSA-N 460.281 4.938 50 10 JJGE CC(=O)c1ccc(NC(=O)NNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)nc1 1668723676 DHBVGFUQFKBCRD-UHFFFAOYSA-N 459.893 4.619 50 10 JJGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3[nH]2)c1OCc1cccc(C)c1 1772760409 JZCSQZKDJBKSPK-UHFFFAOYSA-N 460.559 4.701 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1OC 1865694787 BPCSTYYLRMNPQH-LJQANCHMSA-N 486.450 4.525 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865709503 WPJVNZZDBUFWHP-QHCPKHFHSA-N 496.498 4.662 50 10 JJGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(OC)cc4)cs3)CC2=O)cc1 1872746039 OOWLLFQRNHPRHT-YQMDHOPXSA-N 489.553 4.841 50 10 JJGE Cc1ccc(COc2ccc(/C=N/NC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)cc1 1873499406 TVJPGVNUCXXZNS-YABPMDJWSA-N 451.567 4.671 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](OCc2cccc(Cl)c2Cl)[C@H](I)C1 1901219563 XUEUCIXBPVASLU-OLZOCXBDSA-N 472.150 4.933 50 10 JJGE Cc1cc(Br)cc(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)c1 1916385536 HOSUTWMOWWCMLD-GOSISDBHSA-N 455.190 4.810 50 10 JJGE Brc1csc([C@@H]2CC[C@@H](CI)O2)c1Br 1930750832 YVKWXTRKJAXOAQ-FSPLSTOPSA-N 451.949 4.928 50 10 JJGE O=C(NC[C@@H]1CCCC[C@@H]1Br)c1csc(Br)c1Br 2032953980 UEYZGRYDLUTIJI-CBAPKCEASA-N 460.029 4.957 50 10 JJGE COCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2059387824 FBHNMTNQRSCEQS-UHFFFAOYSA-N 491.245 4.571 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2065396054 BSVRPYRXNOFWKU-JIGDXULJSA-N 458.013 4.519 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CCS[C@H](CCBr)C1 2094091948 ZVIDIKBFIYRANZ-SECBINFHSA-N 472.040 4.554 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@@H]2CCC[C@]2(CBr)C1 2103167620 GBGWWIAHZDAKAR-SDBXPKJASA-N 472.040 4.910 50 10 JJGE CC[C@@H]1CN(C(=O)[C@@H](Br)C2CCCC2)[C@H](CC)CN1C(=O)OCc1ccccc1 2110715341 MLALJZAXPFKMPY-NJYVYQBISA-N 465.432 4.978 50 10 JJGE C[C@H](NC(=O)c1cc(Cl)ccc1I)[C@@H]1CCC[C@H]1Br 2111558476 QCGANDVKGBBEKK-PTOFAABTSA-N 456.549 4.627 50 10 JJGE O=C(N[C@H](CBr)c1cccs1)c1ccc(I)c(Cl)c1 2119041017 XINHNKCAWJYILD-LLVKDONJSA-N 470.557 4.872 50 10 JJGE COC[C@@H](C)OC[C@@H](Br)CCc1ccc(I)c(Cl)c1 2142935745 DCMZNOLCTDWZRH-PWSUYJOCSA-N 461.565 4.692 50 10 JJGE CN([C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21)S(=O)(=O)c1ccc(CBr)s1 2190545673 BIQMZKSWVFXDIN-PBWTXFEYSA-N 470.454 4.647 50 10 JJGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CO[C@H]3COC[C@H]23)c1Br 2201072291 LXXSFUIPUDKADW-DSKWVYQCSA-N 469.011 4.926 50 10 JJGE O=C(N[C@@H](CCl)c1ccccc1)c1ccc(Br)cc1I 2207275558 MRIFCVOUJPLKNP-AWEZNQCLSA-N 464.528 4.764 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](Br)CCC12CC2 2227495650 LOVNACMSDBZXDM-SNVBAGLBSA-N 498.984 4.586 50 10 JJGE CC(C)(C)C[C@@H](CBr)NC(=O)c1ccc(Cl)c(I)c1 2268355768 FJLSYHRHKNXSMF-JTQLQIEISA-N 458.565 4.874 50 10 JJGE CC[C@@H](C)N(CCBr)C(=O)Cc1cc(Br)cc(Br)c1 2277914951 IUAFPQFSQJQURP-SNVBAGLBSA-N 456.016 4.776 50 10 JJGE CCCN(C[C@@H](C)Br)S(=O)(=O)c1cc(Br)c(C)cc1Br 2288065477 KTSHFMLPYXXGJP-SNVBAGLBSA-N 492.071 4.704 50 10 JJGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)cc1 2296720848 DHIDHOZXVYGWHX-UHFFFAOYSA-N 454.461 4.788 50 10 JJGE CCOC(=O)c1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3)C(=O)N2c2ccccc2)cc1 2296834446 NXZRHGSSGNCXCI-XMMPIXPASA-N 497.576 4.928 50 10 JJGE COCc1ccc([C@H](Br)c2ccc(OC)c(I)c2)s1 2342066424 LDSXICKAIQNTGD-CQSZACIVSA-N 453.139 4.992 50 10 JJGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2OCCO[C@@H]2C)c1Br 2365190814 IRIFNMCVCPEIQQ-YDEJPDAXSA-N 472.999 4.769 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CCC[C@H](CCCBr)C1 2365585490 BMHYRKJZHHUPAS-NSHDSACASA-N 470.576 4.972 50 10 JJGE ClC[C@@H](CC1CCOCC1)NCc1ccc(I)c(Br)c1 2377316886 NHXFCSOWXSFKFC-CYBMUJFWSA-N 472.592 4.567 50 10 JJGE BrC[C@@H]1N(Cc2cc(Br)ccc2Br)CC12CCOCC2 2381040909 LREFUGHORCPQIJ-AWEZNQCLSA-N 468.027 4.588 50 10 JJGE CCOP(=O)(OCC)O[C@@H](Br)C(Br)(Br)Br 3599194 XSDXJVWICNJMGI-RXMQYKEDSA-N 497.740 4.744 50 10 JJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccccc1OCCc1ccccc1 10509095 ZBMSNXVCJMNACQ-MRXNPFEDSA-N 473.356 4.843 50 10 JJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(OCCC(C)C)cc3)cc2)c1 14036668 LVMDSUXAKKVADF-UHFFFAOYSA-N 459.546 4.747 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccccc2Br)c(C(C)(C)C)c1 14661774 RVMASPSPQAIMIQ-UHFFFAOYSA-N 461.400 4.884 50 10 JJGE CCCc1nc(N2CCCN(C(=O)CCCl)CC2)c2c(-c3cccc(C(F)(F)F)c3)noc2n1 34810458 OSWFHUFGWHXSJV-UHFFFAOYSA-N 495.933 4.924 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccc(OC)cc1 35103758 WHSKRMOBSWHMAF-RGEXLXHISA-N 487.468 4.767 50 10 JJGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1 39858609 SMOMFVIWKLHCSJ-VKAVYKQESA-N 456.889 4.994 50 10 JJGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1/C(=N/NC(=O)c1ccncc1)CCC2 40814019 NFRWGOYKPFWVMQ-STBIYBPSSA-N 456.424 4.725 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCCC)c(OC)c2)c(OC)c1 40970644 OVHJATYWWYZAMQ-BKAUEOKISA-N 492.572 4.935 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 96663568 IBKHKDAFCZDMFV-GDNBJRDFSA-N 476.401 4.555 50 10 JJGE COc1ccc(CNC(=O)/C(C#N)=C2/N=C(NC(=O)c3ccc(C(C)(C)C)cc3)c3ccccc32)cc1 102673662 LDRJUNYOINGMFR-OCEACIFDSA-N 492.579 4.734 50 10 JJGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCC)cc2OC)cc1 103647739 GZSXTEVBQGCQJM-QKHIKCBBSA-N 487.556 4.820 50 10 JJGE N#C/C(=C/N(Cc1ccccc1)Cc1ccccc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 217237263 PLXKKHCCBNPVEC-LVWGJNHUSA-N 454.549 4.584 50 10 JJGE CC(C)[C@H](CI)NC(=O)c1ccc(Br)c(C(F)(F)F)c1 232730332 OKVOAMPIWWFJAT-NSHDSACASA-N 464.063 4.657 50 10 JJGE O=C(NC1(CCl)CCCCC1)c1cc(I)ccc1Br 236018554 OKHWNNSQHBJVJW-UHFFFAOYSA-N 456.549 4.725 50 10 JJGE CCCc1sc2nc(SCC(=O)NN=Cc3ccccc3O)n(-c3ccccc3)c(=O)c2c1C 252624959 PZHRICAQCFREPL-UHFFFAOYSA-N 492.626 4.656 50 10 JJGE O=C(NNC(=O)c1ccccc1OCc1ccc(F)cc1)N[C@H]1C[C@H]1c1cccc(Br)c1 726718683 NWJFJZYMGBJEFV-SFTDATJTSA-N 498.352 4.667 50 10 JJGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1 1084290635 HRZDITZNZROXPM-QFIPXVFZSA-N 452.938 4.892 50 10 JJGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=C(C)CC(C)C 1084536170 CQJFCYCJCBHZGI-UHFFFAOYSA-N 450.612 4.860 50 10 JJGE C=CCc1cc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)cc(OC)c1OC 1628119296 ZXWKDTJTOAEDTP-UHFFFAOYSA-N 459.262 4.971 50 10 JJGE C#Cc1cccc(NC(=S)NNC(=O)c2c3c(nc4ccccc24)CC[C@H](C(C)(C)C)C3)c1 1651317854 UUIWMEPCMXQYQX-SFHVURJKSA-N 456.615 4.999 50 10 JJGE COc1ccc(NC(=O)COc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)cc1Cl 1858832644 LPHNSNNAADTVEK-UHFFFAOYSA-N 483.937 4.978 50 10 JJGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865705338 SQTDCEZRLHJTQQ-DEOSSOPVSA-N 479.540 4.948 50 10 JJGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 1865708780 FXPMLEFXWZLPMT-NRFANRHFSA-N 462.937 4.542 50 10 JJGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)C[C@H]2CC(=O)c3ccccc32)c2ccccc2)cc1 1867244844 ZWSQCYLMDAFYQD-CJAUYULYSA-N 455.539 4.816 50 10 JJGE C[C@H]1CC[C@@H](CBr)N(C(=O)c2scc(Br)c2Br)C1 2048050701 CCYYNUGOPDASHY-YUMQZZPRSA-N 460.029 4.909 50 10 JJGE CC[C@H](NC(=O)c1ccc(Br)cc1I)[C@H](Br)CC 2086150451 BHICYCFKBPMJPC-PWSUYJOCSA-N 488.989 4.736 50 10 JJGE C[C@H]1CN(C(=O)c2c(Br)cccc2Br)C[C@@]1(C)CBr 2094096494 YHDDEXDBPWFEEV-LKFCYVNXSA-N 454.000 4.705 50 10 JJGE CC[C@@H](Cl)CN(C(=O)c1ccc(I)c(Br)c1)C1CC1 2107417643 AUDYCHGDPXQBFD-SNVBAGLBSA-N 456.549 4.676 50 10 JJGE O=S(=O)(N[C@@H]1CC[C@@H](CBr)C1)c1c(Cl)cc(Br)cc1Cl 2146225939 XIKZJLRQVXTXBT-VXNVDRBHSA-N 466.022 4.598 50 10 JJGE COc1cc(F)c(Br)cc1[C@H](Br)c1nn(C)c(Br)c1C 2168215123 HLDUPDFEVRFVOO-NSHDSACASA-N 470.962 4.886 50 10 JJGE CCc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)(C)COC)cc1CBr 2179860985 AEXZTVGSXVENOV-UHFFFAOYSA-N 454.430 4.760 50 10 JJGE CCn1cc(Br)c(CN(C)c2ccc(CBr)c(Br)c2)n1 2181208314 CNXPTIOFAUOROP-UHFFFAOYSA-N 466.015 4.959 50 10 JJGE FC(F)CC1(CBr)CCN(C[C@@H]2CC2(Br)Br)CC1 2217993661 ADMDJFZGCFWGFD-VIFPVBQESA-N 453.991 4.625 50 10 JJGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C[C@@H](Br)C1 2241638076 SETINJWEUUNPLY-IYBDPMFKSA-N 471.395 4.593 50 10 JJGE CC1CC(CBr)(N(C)C(=O)c2ccc(Cl)c(I)c2)C1 2268350141 IGASZPCHBIVTPJ-UHFFFAOYSA-N 456.549 4.580 50 10 JJGE C[C@@]1(CNC(=O)c2cc(Br)cc(Br)c2)CCC[C@@H]1Br 2271303972 ZHSCASVRVWMDPV-JSGCOSHPSA-N 454.000 4.895 50 10 JJGE CCOc1ccc(-n2c(SCC(=O)NN=CC=Cc3ccco3)nnc2-c2ccccc2)cc1 2293752415 SXYBXJWRLLXSPP-UHFFFAOYSA-N 473.558 4.834 50 10 JJGE N#CC(C(=O)NCc1ccco1)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2296507104 TWWQXVUZPWNEQW-NRFANRHFSA-N 463.946 4.676 50 10 JJGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1csc(Br)c1Br 2310031247 CHCBOYJMVMGORS-ITFKJWCVSA-N 458.013 4.565 50 10 JJGE Brc1cc(CC[C@@H](Br)CN2CCCC2)ccc1I 2325208252 GNTKIVXITNXZIF-GFCCVEGCSA-N 487.017 4.846 50 10 JJGE F[C@]1(CBr)CCCN(Cc2ccc(I)c(Br)c2)C1 2325225137 COZQAENLIAVUMG-ZDUSSCGKSA-N 490.980 4.753 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1[C@H]2CC[C@H](C2)[C@@H]1CBr 2330983450 KFNGJYOLLVRBCM-DVYJOKAKSA-N 451.984 4.600 50 10 JJGE Clc1ccc(I)c(CN2C[C@H]3CC(Br)C[C@@H](C3)C2)c1 2338874484 ZODQTFWWYSWBBR-GHMZBOCLSA-N 454.577 4.940 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCCS1(=O)=O 2339651179 MZCFAOGMTQCTMK-WCBMZHEXSA-N 479.003 4.672 50 10 JJGE COc1ccc([C@@H](Br)[C@@H]2OC[C@@H]3CCCC[C@@H]32)cc1I 2359457462 QBQOASNEKIKWPZ-YXAMBPQSSA-N 451.142 4.941 50 10 JJGE O=C(NC[C@H]1CCCC[C@H]1CBr)c1ccc(Cl)cc1I 2365586196 JIFOJURETCBGIP-WDEREUQCSA-N 470.576 4.876 50 10 JJGE CC1(C)CN(C(=O)c2ccc(Cl)cc2I)C[C@H]1CCBr 2365592788 PUSJUQPTAGOEDP-SNVBAGLBSA-N 470.576 4.828 50 10 JJGE C[C@](CI)(OC[C@H]1O[C@H]2CC[C@H]1C2)c1ccccc1Br 2380671124 GDBMQCHGVMYDFR-YXAMBPQSSA-N 451.142 4.683 50 10 JJGE CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2Br)c(O)c1 5947092 BZTIHMLASQQUJW-AFUMVMLFSA-N 476.415 4.828 50 10 JJGE O=C(COc1ccc2c(c1)OCO2)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 27521206 AADHYRHLLLEOBM-RWPZCVJISA-N 454.482 4.677 50 10 JJGE N#C/C(=C/c1cccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)c1)c1cccc(Cl)c1 31902505 IZMXVIBKDFBZSZ-UYRXBGFRSA-N 456.885 4.996 50 10 JJGE O=C(Cc1ccccc1)NNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 33809217 XFVAKRLINWAVAB-UHFFFAOYSA-N 458.521 4.968 50 10 JJGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2)c1ccccc1 40814627 SZNXNEPXQUIQHK-SZXQPVLSSA-N 474.517 4.562 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)nc1 40825945 QAQRBXPMJXNWQZ-NDZAJKAJSA-N 453.502 4.562 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(C)cc1 96438798 FIHSNDGORWKUMU-FMCGGJTJSA-N 470.525 4.925 50 10 JJGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(C(C)C)cc2)C(=O)N1c1ccc(OCC)cc1 101241781 LOFLWPUOVIRYKC-FYAMCCBRSA-N 475.614 4.937 50 10 JJGE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)c1 101336719 AOWCAPHNYLDDFO-MFKUBSTISA-N 490.519 4.933 50 10 JJGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCC)c(OCC)c2)c(OC)c1 206510294 UXXQVPJMEDRGNX-YJXVQIIVSA-N 478.545 4.545 50 10 JJGE O=C1Cc2cc([C@@H](Cl)c3cc(Br)ccc3I)ccc2N1 236047740 BKSSCKWEMQXFMK-OAHLLOKOSA-N 462.512 4.877 50 10 JJGE CCC[C@H](CCBr)NC(=O)c1cc(Br)ccc1I 716853313 CDFVOHACQMNKNH-SNVBAGLBSA-N 488.989 4.737 50 10 JJGE CC1(C)CN(C(=O)c2ccc(I)c(Br)c2)CC[C@@H]1Cl 721614992 BWAZQGCQRRIFQQ-LBPRGKRZSA-N 456.549 4.533 50 10 JJGE CC(=O)N1CCC[C@@H]1C(=O)Nc1cc(Br)ccc1CO[Si](C)(C)C(C)(C)C 1269632195 LCLLIQLBXYTHKK-GOSISDBHSA-N 455.469 4.920 50 10 JJGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744234 SQYBFJFBGZWZCD-UHFFFAOYSA-N 483.484 4.767 50 10 JJGE O=C(N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc(-n2cccc2)cc1 1860823003 ULRFYZXYORQIJH-COOPMVRXSA-N 454.917 4.812 50 10 JJGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2-c1ccc(OC)cc1 1865692323 DYGNKEJGTRMSSJ-HSZRJFAPSA-N 474.561 4.849 50 10 JJGE CN(C)c1ccc([C@@H](CNC(=O)/C(C#N)=C/c2cccc(Br)c2)N2CCCCC2)cc1 1866130791 MQXQJBLJFVYFQE-INJUALFYSA-N 481.438 4.765 50 10 JJGE C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 1873794575 PKKZLMHZBVQWTB-DSKMXOTJSA-N 466.365 4.936 50 10 JJGE O=C(c1sccc1I)N1CCC2(CCC(CBr)CC2)C1 1916968884 CFISCRSBOLHPEY-UHFFFAOYSA-N 468.198 4.770 50 10 JJGE CC(C)[C@@H](Br)CN(C)C(=O)c1cc(Br)ccc1I 2048733432 ZSLNGSOFFOEYLI-NSHDSACASA-N 488.989 4.545 50 10 JJGE Cc1c(Br)c(COc2c(Br)cccc2CBr)nn1C 2093828970 JTRXJTZLAWSZNZ-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@@H]1C[C@@H](Br)C2 2098700103 SXFAAPIPNURPHT-UIKWRGBMSA-N 498.984 4.584 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1[C@H](CBr)C[C@H]2CCC[C@H]21 2164656936 RQHSSBMAOPYLRG-OLUVUFQESA-N 466.011 4.990 50 10 JJGE CCC[C@H](CBr)CN1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2211441663 ZYHLBAKACJEAKH-GOSISDBHSA-N 492.499 4.587 50 10 JJGE CC(C)(C)CN(CCBr)C(=O)c1ccc(Cl)c(I)c1 2268344797 LVINFXJFXFQZBK-UHFFFAOYSA-N 458.565 4.828 50 10 JJGE O=C(NC[C@@H]1CCCC[C@@H]1Br)c1ccc(Cl)c(I)c1 2268359990 YLZRLIFPISMHPW-QWRGUYRKSA-N 456.549 4.628 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N(CCCBr)C1CC1 2277937336 VSLLYCFFALXPSP-UHFFFAOYSA-N 454.000 4.530 50 10 JJGE CSCC[C@H](Br)CCNC(=O)Cc1cc(Br)cc(Br)c1 2295307643 MPCWODHRWFMGEA-LLVKDONJSA-N 488.083 4.777 50 10 JJGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NC2CCCCC2)c(C)c1 2296723163 MQQXTEVZIAHEAR-UHFFFAOYSA-N 456.546 4.768 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(OC)c2)sc2c1CC[C@@H](C)C2 2296836434 ZCLNRSLAYBJQDW-CQSZACIVSA-N 454.548 4.612 50 10 JJGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1csc(Br)c1Br 2310031249 CHCBOYJMVMGORS-XRRXOLGASA-N 458.013 4.565 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Cl)cc1 2314755064 PUYGIQOMBJDTJR-UHFFFAOYSA-N 480.904 4.539 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C)cc1C 2314760338 LXVFKKLEAIRVAO-UHFFFAOYSA-N 474.513 4.503 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Cl)cc1C 2314760694 XTJCUGBJHRAJGF-UHFFFAOYSA-N 494.931 4.848 50 10 JJGE CCc1ccccc1CO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2316044385 UYOBEIHRDXKMGU-FQEVSTJZSA-N 459.368 4.970 50 10 JJGE O=C(N[C@@H](CBr)c1cccs1)c1ccc(Cl)cc1I 2340054239 KNQNLLCRPKHGSE-NSHDSACASA-N 470.557 4.872 50 10 JJGE Cc1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(C)c1 13981728 SRDGVFFLWLCROI-UHFFFAOYSA-N 473.573 4.693 50 10 JJGE CC(C)CCOc1cccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)c1 14644635 QAECTRMLMDRZNX-UHFFFAOYSA-N 477.399 4.837 50 10 JJGE CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1OCc1ccccc1 14655099 GKQMYPOMMAWHKU-UHFFFAOYSA-N 469.335 4.502 50 10 JJGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(OC)c2)cc1OC 31902106 SJZAQRFTKIWQJU-ODLFYWEKSA-N 460.442 4.904 50 10 JJGE COc1ccccc1C(=O)NNC(=O)CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12 39852758 GXXZVPHEFWUGMN-UHFFFAOYSA-N 462.937 4.676 50 10 JJGE Cc1c(C(=O)NCCc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813451 FXHDBNFETSKZFB-TURZUDJPSA-N 494.935 4.593 50 10 JJGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1/C(=N/NC(=O)c1ccncc1)CCC2 40813958 YVFSPMHSQSKTOY-IXNGNONCSA-N 460.509 4.574 50 10 JJGE CCCCOc1ccc(/C=N/NC(=O)COc2c(C)cc(Br)cc2C)cc1OC 40888445 ZCMKUYRSRACMKX-ZMOGYAJESA-N 463.372 4.783 50 10 JJGE COC(=O)/C(C#N)=C/c1cccc(OC(=O)COc2ccc(Br)cc2C(C)C)c1 40944681 XLOCFZRBCKOOCA-CXUHLZMHSA-N 458.308 4.637 50 10 JJGE CCOC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OCC 59335630 XRPUCAJJAARRBK-YVLHZVERSA-N 487.350 4.644 50 10 JJGE N#C/C(=C/c1cccc(OC(=O)c2ccccc2Cl)c1)C(=O)NCc1ccc2c(c1)OCO2 96438805 PPOVVGPTZSVVLM-ZDLGFXPLSA-N 460.873 4.511 50 10 JJGE CCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(Cc2ccco2)C(=O)CCl)cc1OC 97914938 SOGNWOUETUNRLZ-DEOSSOPVSA-N 477.001 4.835 50 10 JJGE CCCCCCCOc1ccc(/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 101341436 VJPZSSBUNCKBQH-HAVVHWLPSA-N 452.551 4.581 50 10 JJGE O=S1(=O)CCCC[C@@H]1[C@H](Br)c1cc(Br)c(Br)s1 169100458 XTAHZXCBUVUCAZ-RKDXNWHRSA-N 467.042 4.676 50 10 JJGE COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)NC[C@@H]2CCC[C@H](CN=C=O)C2)cc1 170287998 AQHSMFBSSAUZOV-XZOQPEGZSA-N 451.567 4.558 50 10 JJGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\NCCc1ccccc1Br 217241233 ZUQQDGRPLCSEMV-VLGSPTGOSA-N 470.367 4.584 50 10 JJGE CCN(CC)c1ccc(N/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)cc1 217254171 CSVCRMLXTZHBMF-PEZBUJJGSA-N 474.346 4.904 50 10 JJGE O=C(NCCCCCCI)c1cc(Br)ccc1Br 232456796 YIOKVHFZEOIYNX-UHFFFAOYSA-N 488.989 4.937 50 10 JJGE O=C(NC[C@H]1CCCC[C@H]1Br)c1ccc(Br)cc1Br 232486240 RWOIVEIQUKMHRG-BXKDBHETSA-N 454.000 4.895 50 10 JJGE CCCCCOc1ccccc1CN1C(=O)C(=NNC(=O)COc2ccccc2)c2ccccc21 245283939 PBDUOAKLZACHQF-UHFFFAOYSA-N 471.557 4.702 50 10 JJGE CC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)cc1 254519723 KUCWVQJHRTWPIR-UHFFFAOYSA-N 465.553 4.683 50 10 JJGE CCN(C[C@](C)(CI)OCc1ccc(OC)cc1)C(=O)OC(C)(C)C 310598857 MLPFTUFUBXNVJH-IBGZPJMESA-N 463.356 4.663 50 10 JJGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(Br)cc(Br)c1 686180236 SIORSSZWRWUHMA-ZLCVWYCYSA-N 466.011 4.988 50 10 JJGE C[C@H]1CC[C@@H](CBr)CN1C(=O)c1cc(Cl)ccc1I 708455538 BIYIIMWSQZFHOB-UWVGGRQHSA-N 456.549 4.580 50 10 JJGE O=C(NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)[C@@H]1C[C@H]1c1cccc2ccccc12 730832657 CDEOVUBYRJRFMQ-LOSJGSFVSA-N 457.555 4.887 50 10 JJGE C#C[C@H](NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)c1ccc(F)cc1 1624783799 CJEHONNBIOKYJI-QNCNLXEUSA-N 457.896 4.654 50 10 JJGE Cc1ccc(COc2ccc(C=NNC(=O)COc3ccccc3Br)cc2)cc1 1772753813 KCRXDELSARHBIY-UHFFFAOYSA-N 453.336 4.866 50 10 JJGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)cc1 1865707107 NQHLWNBLXPLUSI-SANMLTNESA-N 462.557 4.820 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865712659 DXDTZTZOKXOXTI-QHCPKHFHSA-N 497.486 4.872 50 10 JJGE CC[C@H](NC(=O)c1cc(C2CC2)n2nc(C(C)(C)C)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867189265 LOQGMCUVNKXNMR-SFHVURJKSA-N 476.606 4.624 50 10 JJGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@H]1C[C@@H]1Br 1888778866 MAXMEEJZJFXJSF-YDFBLROQSA-N 471.395 4.546 50 10 JJGE O=C(c1csc(I)c1)N1CC2(CCCC2)C[C@@H]1CBr 1912765748 PAHBTFUHFFPLCN-LLVKDONJSA-N 454.171 4.523 50 10 JJGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(CCl)c(Br)c1 1915486814 QXRGBQSEMLTQBC-UHFFFAOYSA-N 460.821 4.804 50 10 JJGE CC(C)[C@@H]1C[C@H](NCCSSCCNC(=O)OC(C)(C)C)CN1Cc1ccccc1 1985347434 RYJKFKXGSHTGRM-SFTDATJTSA-N 453.718 4.781 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CC(F)(F)C[C@@H]1CBr 2041125492 VTEOHDBMJLYPHO-RXMQYKEDSA-N 467.955 4.518 50 10 JJGE FCCOc1ccc(Cn2nc(CCl)c(I)c2C(F)(F)F)cc1 2079208415 QUOFASRBVBPHEL-UHFFFAOYSA-N 462.612 4.642 50 10 JJGE CC(C)(C)OC(=O)NC1CC(C[S@](C)(=O)=NCC2(CBr)CCCCC2)C1 2115609491 KFSITMOGRYUTQU-RHDIPHDTSA-N 451.471 4.733 50 10 JJGE CC(C)[C@@H]1[C@@H](Cl)CCN1C(=O)c1ccc(I)c(Br)c1 2126077237 NLMRLDRRXJPZMS-WCQYABFASA-N 456.549 4.532 50 10 JJGE C[C@H]1C[C@H](CCl)CCN1C(=O)c1ccc(Br)cc1I 2142287838 GOGLCVGCTYCHJD-VHSXEESVSA-N 456.549 4.533 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC2(CCC2)C[C@@H]1CBr 2151486965 DLONJANDBWCLDV-SNVBAGLBSA-N 466.011 4.991 50 10 JJGE CC(C)n1cnnc1COc1c(Br)cc(Br)cc1CBr 2153682951 YINCMHLINIDTOW-UHFFFAOYSA-N 467.987 4.858 50 10 JJGE Brc1ccc([C@@H](CI)OC[C@@H]2CC23CCOCC3)cc1 2198367154 RBDIHLCEXAVZFJ-DZGCQCFKSA-N 451.142 4.759 50 10 JJGE CC1(C)C[C@H](Cl)CCN(C(=O)c2ccc(Br)cc2I)C1 2207272763 QPWCFUCNGGPOGL-LLVKDONJSA-N 470.576 4.923 50 10 JJGE CN(c1ncc(C(F)(F)F)cc1I)[C@@H](CBr)CC1CC1 2234557612 CDSCMAMHVSYCME-SNVBAGLBSA-N 463.079 4.705 50 10 JJGE COc1ccc(C=C(C#N)C(=O)Nc2nccs2)cc1COc1c(F)c(F)cc(F)c1F 2295638686 QUTODRHGYUFNAH-UHFFFAOYSA-N 463.412 4.833 50 10 JJGE CN(Cc1ccc(I)c(Br)c1)[C@H]1CCC[C@H]1Br 2306222798 YTHQTNDSCINCOE-MFKMUULPSA-N 472.990 4.802 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2c[nH]nc2-c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 2314486993 FZPWTJYMBCQBSV-UHFFFAOYSA-N 491.529 4.648 50 10 JJGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(CC)cc1 2314593044 GKWBTGKDHJGVMC-OAQYLSRUSA-N 451.979 4.631 50 10 JJGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593561 PEIWYCRQAFRQJU-QHCPKHFHSA-N 457.555 4.585 50 10 JJGE CC1=C(C#N)C(=O)N(C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 2314617727 XEVQBGPSGPNGDO-UHFFFAOYSA-N 452.514 4.549 50 10 JJGE CC(F)(F)C[C@H](CBr)NCc1ccc(Cl)c(I)c1 2315554708 IJQOUHWMTPAMPX-SECBINFHSA-N 452.508 4.843 50 10 JJGE C[C@H](NC(=O)C(C#N)=CNc1ccc(I)cc1)c1ccc2c(c1)CCCC2 2325118591 QNFARCBURQKQMK-HNNXBMFYSA-N 471.342 4.867 50 10 JJGE CCc1cccc(C)c1N1C[C@@H](C(=O)Nc2sc(C(C)=CC#N)c(C)c2C(=O)OC)CC1=O 2331560403 SAEYBVNKXTURMW-SFHVURJKSA-N 465.575 4.632 50 10 JJGE CC1(C)CC(CBr)(CN=[S@](C)(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 2345008761 UEICQEWNVBYCLL-PVPMGCCUSA-N 451.471 4.685 50 10 JJGE O=C(NC[C@@]12CCC[C@]1(CBr)C2)c1ccc(Cl)cc1I 2365591032 DSNMLUDLZKTDDW-CABCVRRESA-N 468.560 4.630 50 10 JJGE Cc1cc(C(=O)NCC(C)(C)[C@H](Br)C(C)C)ccc1I 2366003173 QDXHXMMROMROMF-CQSZACIVSA-N 452.174 4.775 50 10 JJGE COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1COc1ccc(C(=O)OCC(C)C)cc1 3584868 SARMVBHAXCQKGZ-RWPZCVJISA-N 476.529 4.557 50 10 JJGE CCOc1cc(C=NNC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 8437628 IVJXMMXJXNUXLG-UHFFFAOYSA-N 459.546 4.792 50 10 JJGE Cc1ccc(N2C(N)=C(C#N)[C@@]3(C(=O)N(C)c4ccccc43)C3=C2CC(C)(C)CC3=O)cc1Cl 8437704 WXFXGTNDFBIOQB-HHHXNRCGSA-N 472.976 4.720 50 10 JJGE CCc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccccc2[C@H](C)CC)c(Br)c1 9873604 JXXVIFBHDFVSQP-HZPDHXFCSA-N 477.399 4.519 50 10 JJGE CCCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 14647310 JLCWETPBKCCOAO-NSHDSACASA-N 490.181 4.773 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)c(C)n1-c1ccccc1F 33480888 ZBQJNUBMLRPQIG-XKZIYDEJSA-N 457.505 4.811 50 10 JJGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)C1=O 38606321 ILIWKGGUFZPHHX-OEAKJJBVSA-N 484.531 4.616 50 10 JJGE Cc1ccc2cccc(Oc3ncnc(NNC(=O)c4ccc(Cl)cc4Cl)c3N)c2n1 40752337 XFVJWISRPDZRBG-UHFFFAOYSA-N 455.305 4.771 50 10 JJGE CCOC(=O)c1c(NC(=O)N/N=C/c2cc(Br)ccc2O)sc2c1CC[C@@H](C)C2 40851502 JXDSTUGNICLDCL-WMJRALALSA-N 480.384 4.673 50 10 JJGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C1=O 214224146 PDLCSKCPBRAFPG-JLPGSUDCSA-N 466.541 4.940 50 10 JJGE Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1 254380608 HGNONOAJPKOYKY-UHFFFAOYSA-N 475.501 4.775 50 10 JJGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C[C@@H]2CC=C(C)C[C@@H]2C)c(OC)c1 254485352 RMJITTRYQPRBOH-ADFLXENLSA-N 461.562 4.569 50 10 JJGE CC(=NNC(=O)CCc1ccc(O)c(O)c1)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 254490111 MFCDJYJYDCRNPA-UHFFFAOYSA-N 457.939 4.538 50 10 JJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc(C)cc2)cc1OC 254620017 HPSFYAYWROKFCV-UHFFFAOYSA-N 498.535 4.914 50 10 JJGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)n2-c2ccccc2)cc1 254843239 HCTMITLGMGXAPM-UHFFFAOYSA-N 466.570 4.966 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2C[C@H]3CCCC[C@H]3O2)CC1 380827236 RJVCFFIAPZDCMU-IXDOHACOSA-N 479.399 4.555 50 10 JJGE COc1cc(F)c(Br)cc1[C@H](Br)c1cnn(C)c1Br 381876651 HAZLAZVODYTLQC-NSHDSACASA-N 456.935 4.577 50 10 JJGE C[C@H]1[C@@H](Cl)C[C@H]2CC[C@H]1N2C(=O)c1cc(I)ccc1Br 686179284 ZIAYOVDTEZXXFS-HHSCNIOUSA-N 468.560 4.674 50 10 JJGE C[C@H]1CCCN(C(=O)c2cc(I)ccc2Br)[C@@H]1CCCl 697196250 ZLIZQPLPFUCQCR-IINYFYTJSA-N 470.576 4.923 50 10 JJGE CCOc1ccc(Br)cc1[C@H](Br)c1cn(C)c(Br)n1 710777177 ZUWVUYHOVDEQQI-LBPRGKRZSA-N 452.972 4.828 50 10 JJGE N#Cc1ccc(OCc2ccc(C(=O)NNC(=O)c3ccccc3OCc3ccc(F)cc3)o2)cc1 727982865 NHJFYQRVYSRUJC-UHFFFAOYSA-N 485.471 4.523 50 10 JJGE Cc1cc(Cl)ccc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2ccc(Br)cc2)c1C 1083958248 FGVDVSKXNLZCNX-UHFFFAOYSA-N 487.785 4.907 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)NCc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084302573 JOHUWPOKBHHBLI-UHFFFAOYSA-N 477.779 4.821 50 10 JJGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 1084333727 RAJRFQORSPXFEM-INIZCTEOSA-N 492.536 4.758 50 10 JJGE C=CCOc1cccnc1C(=O)NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 1306181441 ARLOMJVYSZBWDS-UHFFFAOYSA-N 458.905 4.590 50 10 JJGE C=CCN(C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Br)cc2)c1C)[C@@H](C)COC 1538864308 DEHAKUIAURXORD-IZQLPPHKSA-N 456.384 4.813 50 10 JJGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccccn2)C(C#N)=C(N)O3)cc1 1865700460 ULRMQOTXPQXGSB-DEOSSOPVSA-N 463.541 4.837 50 10 JJGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865708283 SHIYWRKRXJFTKK-OAQYLSRUSA-N 450.926 4.714 50 10 JJGE CC[C@](C)(NC(=O)[C@H](Cc1ccncc1)c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866707907 SIHZVCQKHZTXQF-BVAGGSTKSA-N 458.587 4.905 50 10 JJGE Cc1c(C(F)(F)F)cccc1S(=O)(=O)N(Cc1ccccc1)C[C@@H](C)Br 1914640100 XLCQXNNENKGBNH-CYBMUJFWSA-N 450.320 4.988 50 10 JJGE Cn1nc(C(=O)N(Cc2ccccc2)C(C)(C)CBr)c(Br)c1Cl 1979584833 LNKLSSQWXRNDJO-UHFFFAOYSA-N 463.601 4.652 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCCN(C(=O)OC(C)(C)C)C1(C)C 1987925925 FQVDADDEOYEFGP-INIZCTEOSA-N 463.710 4.660 50 10 JJGE FC1(F)[C@@H]2COC[C@]21[C@@H](Br)c1sc(Br)cc1Br 1998632456 WEDKINGKANNISR-HFHMMWAZSA-N 452.940 4.991 50 10 JJGE C[C@](CBr)(NC(=O)c1cc(Br)sc1Br)C(F)(F)F 2043171427 MWOCJJSMEUADMD-MRVPVSSYSA-N 473.934 4.719 50 10 JJGE Brc1cc(Br)c([C@H](Br)[C@H]2CCn3ncnc3C2)s1 2046632815 FGEMDAYDIQUSGA-QUBYGPBYSA-N 456.001 4.563 50 10 JJGE Cn1ncc(Br)c1C[C@@H](CBr)Cc1ccc(Br)cc1 2087324855 FBHIJAFKUKRFAT-NSHDSACASA-N 451.000 4.741 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CCC(F)(CBr)CC1 2101312686 QFCWFTCAVFKWQD-UHFFFAOYSA-N 457.963 4.551 50 10 JJGE C[C@@H]1CC[C@H](CBr)N(C(=O)c2cccc(Br)c2Br)C1 2110611822 JUXSYXDVDKWSBU-NXEZZACHSA-N 454.000 4.847 50 10 JJGE CC1(C)C[C@H](Cl)CCN1C(=O)c1cc(Br)ccc1I 2113593885 OQZVMTFVTIQWSP-SNVBAGLBSA-N 456.549 4.676 50 10 JJGE C[C@@H]1Cc2cc([C@H](Br)c3cnn(C)c3Br)cc(Br)c2O1 2146627964 LXTLKWRUPZXCHY-KRTXAFLBSA-N 464.983 4.753 50 10 JJGE C[C@@H](CCCCCI)NCc1cc(Br)cc2c1OCC2 2174523760 NJVKCYKFZGRTHL-LBPRGKRZSA-N 452.174 4.858 50 10 JJGE O=C(CCCCBr)Nc1ccc(Br)cc1I 2212575327 YELBPTUOBQIRDW-UHFFFAOYSA-N 460.935 4.557 50 10 JJGE C[C@@H]1C[C@H](Br)[C@@H](C)N(c2ncc(C(F)(F)F)cc2I)C1 2235881171 AGNMCIOUEKQKDB-MRTMQBJTSA-N 463.079 4.703 50 10 JJGE Cc1nccc2c1nc(CCl)n2-c1ccc(Br)cc1I 2240005370 BEZBQLMDTJZKIZ-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE C[C@H](NC(=O)Cc1cc(Br)cc(Br)c1)C(C)(C)CBr 2277928147 QZLUENILSVHLEX-VIFPVBQESA-N 456.016 4.680 50 10 JJGE Cc1cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NCCc2ccccc2)ccc1Cl 2296724869 SNMWCWCVYIWRCT-UHFFFAOYSA-N 484.943 4.715 50 10 JJGE CC(C)[C@H]1C[C@H](Cl)CN1C(=O)c1cc(I)ccc1Br 2344767471 FWPRGBCCKNWVIP-TVQRCGJNSA-N 456.549 4.532 50 10 JJGE CC(C)CN1C[C@H](Cl)[C@H](Cc2ccc(I)c(Br)c2)C1 2349837042 PRTOXPZNHRJESO-OCCSQVGLSA-N 456.593 4.791 50 10 JJGE CC[C@@]1(C)[C@H](Br)CCN1S(=O)(=O)c1cc(Br)ccc1Br 2361895143 JWGKXEOIPBTQQU-OLZOCXBDSA-N 490.055 4.538 50 10 JJGE Cc1ccc(OCC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)c(Br)c1 12581801 LGOZMFKYYCUGJT-AFUMVMLFSA-N 453.336 4.866 50 10 JJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 14031872 SXPPVNCPXOELBI-LJQANCHMSA-N 493.629 4.902 50 10 JJGE CCCCOc1ccc(/C(CC)=N\NC(=O)[C@]2(C)CC2(Br)Br)cc1 38751033 ZDNGYEJDQVMURK-SZHLLGMXSA-N 460.210 4.992 50 10 JJGE O=C(NNc1ncnc(Nc2cccc(Cl)c2Cl)c1[N+](=O)[O-])c1ccc(Cl)cc1 40646705 TXJQYPNGYKRTJT-UHFFFAOYSA-N 453.673 4.846 50 10 JJGE CCOc1c(Cl)cc(/C=N\NC(=O)c2cccn(Cc3cccc(C)c3)c2=O)cc1Cl 169918132 UTKKVFUWRSLLNY-ZMFRSBBQSA-N 458.345 4.674 50 10 JJGE COc1ccc([C@@H](C)N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 216491570 OQRSLCYWPCWAKU-ARFXMCQGSA-N 480.612 4.687 50 10 JJGE COc1cc(C=NNC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc(I)c1O 252613122 IYQVPDMRIOLQMI-IAGOWNOFSA-N 492.357 4.557 50 10 JJGE COc1ccc(C=NNC(=O)c2ccc(-n3cccc3)cc2)cc1CSc1nnc(C)s1 254760181 TYAIWVBZEYJTCX-UHFFFAOYSA-N 463.588 4.702 50 10 JJGE Cc1cc([C@H](Br)c2cnn(C)c2I)c(C)cc1Br 394110239 OOBKYAJZXAYEBQ-LBPRGKRZSA-N 483.973 4.888 50 10 JJGE COc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3ccc(OCc4ccccc4)cc3)c2C)cc1 725415929 LUZHWAVLMLLTHQ-UHFFFAOYSA-N 496.567 4.771 50 10 JJGE CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)c1C 855901939 FHZWDSZMMINDHG-BAVLMPOVSA-N 462.594 4.983 50 10 JJGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc3c(c2)OCCO3)cc1 1865698503 VPXCMPKHWIWBDF-XMMPIXPASA-N 478.508 4.537 50 10 JJGE Brc1cccc(Br)c1CNCCCCCI 1937823464 ONZXAHXBHAHKHN-UHFFFAOYSA-N 460.979 4.907 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@H](CBr)C2CCC2)CC[C@@H]1C(F)(F)F 1966469321 CPCRHBZJVQROSN-XHSDSOJGSA-N 457.375 4.823 50 10 JJGE BrCC[C@H]1CSCCN1Cc1cc(Br)ccc1Br 2054711440 DTQLCFYOODCEEJ-LBPRGKRZSA-N 458.057 4.914 50 10 JJGE CC(C)[C@@H](Br)CN(C)C(=O)c1ccc(Br)cc1I 2086149647 QFVKETRXWSPOSL-NSHDSACASA-N 488.989 4.545 50 10 JJGE CN(C(=O)c1c(Br)cccc1Br)C1(CBr)CCCC1 2113805676 BIGJLMQINUKHDS-UHFFFAOYSA-N 454.000 4.991 50 10 JJGE O=C(N[C@@H](CBr)c1cscn1)c1ccc(Br)cc1Br 2119037980 GLRKJLNGZYRODE-JTQLQIEISA-N 468.996 4.534 50 10 JJGE CC1(C)C[C@@H](CBr)CN1C(=O)c1cccc(Br)c1Br 2127836625 UXXKWLRXQFWCBX-VIFPVBQESA-N 454.000 4.847 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2143977618 QGKWYVJYMODHIT-BFVZDQMLSA-N 466.011 4.990 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@@H]2CCC[C@H](Br)[C@H]2C1 2150959544 WXNQIJIPEKWNCF-XDTLVQLUSA-N 466.011 4.847 50 10 JJGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C2CC2)c(CCBr)c1 2179826439 SAVVTFLJSHNOHC-MRXNPFEDSA-N 452.414 4.622 50 10 JJGE CC1(C)CCCN(C(=O)c2ccc(I)c(Br)c2)[C@@H]1CCl 2185813631 UQDQDEHCIZZTQU-CYBMUJFWSA-N 470.576 4.923 50 10 JJGE Cc1cc(C(=O)N(C)C[C@@H](Br)C2CCCC2)ccc1I 2207109608 ZGHZZPJWUSZMIL-CQSZACIVSA-N 450.158 4.625 50 10 JJGE BrCCCOC1CCN(Cc2ccc(Br)cc2Br)CC1 2207518367 AFFUDPFJXZAWOO-UHFFFAOYSA-N 470.043 4.978 50 10 JJGE COc1ccc(Br)cc1S(=O)(=O)N(Cc1ccccc1)[C@H](CCl)C1CC1 2227662232 LQZWPNROTZBWIP-QGZVFWFLSA-N 458.805 4.666 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CCC(CCBr)CC1 2268349020 YPOOZOZTMFKQRF-UHFFFAOYSA-N 456.549 4.582 50 10 JJGE COc1ccc([C@H](Br)c2nn(C)c(Cl)c2Cl)cc1I 2269546210 NJCCWNOPDSAXRK-VIFPVBQESA-N 475.939 4.824 50 10 JJGE O=C(NC[C@@H]1CCC[C@H](CBr)C1)c1ccc(Cl)c(I)c1 2283651258 DWJRRYJDGBJWCW-WDEREUQCSA-N 470.576 4.876 50 10 JJGE COc1ccc([C@H](Br)c2cc3cnn(C)c3s2)cc1I 2285010673 RPWNOCPHMLYFJX-ZDUSSCGKSA-N 463.138 4.732 50 10 JJGE Brc1cc(Br)cc(C[C@@H](Br)[C@@H]2CCn3ccnc3C2)c1 2295331679 MNGAINGPDCXLLN-BXUZGUMPSA-N 463.011 4.977 50 10 JJGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCc2ccco2)ccc1Cl 2296720321 PFNZQKRQVCWVEA-UHFFFAOYSA-N 474.904 4.573 50 10 JJGE O=S1(=O)C[C@@H]2[C@H]([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)[C@@H]2C1 2314445300 ONGSMVUWNHODGZ-UKBAYJJMSA-N 486.225 4.755 50 10 JJGE O=C(CSc1nc(O)c2c(-c3ccc4c(c3)CCCC4)csc2n1)NN=Cc1ccco1 2320488250 UAWQKEUEFKSRNW-UHFFFAOYSA-N 464.572 4.778 50 10 JJGE COCCOc1ccc(C=C(C#N)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc3ccccc3c2)cc1 2331117870 UXKQUVSDNNPCSE-MHZLTWQESA-N 485.584 4.942 50 10 JJGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)CCN2C(=O)c3ccccc3C2=O)n1 2331371837 KXPSQJAKFMCHPY-UHFFFAOYSA-N 459.527 4.915 50 10 JJGE CC(C)(C)OC(=O)NCC1CCS(=O)(=NC[C@](C)(CBr)C(C)(C)C)CC1 2352082872 PYKMMNJNMAAYSN-GGEAFKGFSA-N 453.487 4.836 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 2365593504 ULYLLZDGLKCTGP-TVYUQYBPSA-N 468.560 4.580 50 10 JJGE COc1cc(Br)cc(Br)c1OCC(=O)N/N=C(C)/C=C/c1ccccc1 20073215 NVYZRNAEGQSOKY-UXWOPCDISA-N 482.172 4.805 50 10 JJGE COc1cc(C)ccc1OCCOc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1Cl 34720549 FPEGRRPVRPVLNY-UYRXBGFRSA-N 466.921 4.931 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1OC 38658676 ARXGOYDTRQQXIG-VWLOTQADSA-N 492.915 4.560 50 10 JJGE COc1ccc(/C(C)=N/NC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1 58991891 BRLIJMMYVYIPBW-VFCFBJKWSA-N 485.613 4.694 50 10 JJGE O=c1[nH]c2ccc([C@H](Br)c3cc(Br)sc3Br)cc2[nH]1 232484860 RKQDSGATPHGWFI-JTQLQIEISA-N 466.980 4.927 50 10 JJGE O=C(CSc1nnc(SCc2ccccc2)s1)NN=C/C=C\c1ccccc1[N+](=O)[O-] 254306572 AHHUWLPSBWROLM-DVRKCOPPSA-N 471.589 4.646 50 10 JJGE CCCCOc1ccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)cc1 254410802 KMNUJNLLDYRNFO-UHFFFAOYSA-N 472.545 4.515 50 10 JJGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(OC)cc2)cc1 254614854 CNKAIRLXJBDOIR-UHFFFAOYSA-N 487.585 4.502 50 10 JJGE CC(C)(C)c1cc(C(=O)NN=C2C(=O)N(Cc3cccc4ccccc34)c3ccccc32)[nH]n1 254696319 MOQNTYZIDLDMLJ-UHFFFAOYSA-N 451.530 4.541 50 10 JJGE O=S(=O)(c1cc(Br)cc(CCl)c1F)N1CC[C@@H](COCc2ccccc2)C1 383956804 BFDGEVXVPBCCLS-OAHLLOKOSA-N 476.795 4.554 50 10 JJGE CC1(C)CC[C@H](CCl)N(C(=O)c2cc(Br)ccc2I)C1 701596339 PSZDUBSPZCRWAZ-LLVKDONJSA-N 470.576 4.923 50 10 JJGE Cc1cnc2c(c1)nc(CCCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705783809 SEQCRSCPFSOHFE-UHFFFAOYSA-N 461.009 4.992 50 10 JJGE O=C(Cc1coc(-c2ccc(Cl)cc2)n1)NNC(=O)c1ccccc1OCc1ccc(F)cc1 729297520 PBAKWGLPOPXGDV-UHFFFAOYSA-N 479.895 4.717 50 10 JJGE CC(=O)c1cc(Br)ccc1OCC(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1 1454154293 OHJCJTFZDRNAFI-MRXNPFEDSA-N 456.453 4.653 50 10 JJGE C#C[C@@H](NC(=O)NNc1ccc(Br)cc1CC)c1ccc(Br)cc1 1470664380 ZBEZZLYHWYPORF-MRXNPFEDSA-N 451.162 4.775 50 10 JJGE CCc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746191 RNPQWCDDKJCZSN-UHFFFAOYSA-N 460.490 4.781 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)ccc1O 1865680895 ZIHPSADDXULWKO-HXUWFJFHSA-N 457.317 4.810 50 10 JJGE COc1cccc([C@H](C)CC(=O)N[C@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)c1 1867111077 MOSZRSVAIOHPBX-IIBYNOLFSA-N 457.621 4.639 50 10 JJGE BrCCN(Cc1ccccc1)c1ncc(I)cc1Br 1881120025 ILUSVMOOKQEFDW-UHFFFAOYSA-N 495.984 4.850 50 10 JJGE O=S1(=O)CCC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923038720 KIDIBKVBFWXXSH-INEUFUBQSA-N 487.460 4.940 50 10 JJGE CC1(C)CN(Cc2cccc(Br)c2Br)C[C@H](CBr)O1 2092338201 QKMWCONHBDUJOR-NSHDSACASA-N 456.016 4.586 50 10 JJGE F[C@]12CCC[C@]1(CBr)CN(c1ncc(Br)cc1Br)C2 2120119566 IPQSHUSWSLABSE-STQMWFEESA-N 456.979 4.700 50 10 JJGE CCC[C@H](Br)CCNS(=O)(=O)c1cc(Br)c(C)cc1Br 2146566438 JMEJYMIMYJRYFH-JTQLQIEISA-N 492.071 4.752 50 10 JJGE O=C(NCC[C@@H]1CCCC[C@H]1Br)c1cccc(F)c1I 2179629638 NJXYBJWRMYLTDJ-CMPLNLGQSA-N 454.121 4.504 50 10 JJGE CN(C)CC(C)(C)CO[C@@](C)(CI)c1ccccc1Br 2198532864 WBABXAUBMURNIZ-INIZCTEOSA-N 454.190 4.704 50 10 JJGE CCN(CCCCCI)[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2214705015 MDPRMPDTUGYHQS-IAGOWNOFSA-N 452.421 4.997 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CCC[C@H]1CCBr 2277924041 BQVOCMZWFMXQNY-ZDUSSCGKSA-N 454.000 4.530 50 10 JJGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@H]2C[C@H]23)c1 2277962802 LYKYIAZVMPTKEG-DBWOOVFOSA-N 450.996 4.941 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1CN(CC2(CBr)CC(F)C2)CC[C@H]1C(F)(F)F 2280358765 HDOQKPVHQBGTQC-XCCIUEIHSA-N 461.338 4.525 50 10 JJGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc(F)c(Br)c1 2303549120 PFSPHMFMZWCDQE-OAHLLOKOSA-N 459.153 4.688 50 10 JJGE N#CC(=Cc1cn(Cc2ccc(F)cc2)c2ccc(Br)cc12)C(=O)NC[C@H]1CCCO1 2313624053 KMTYEOBWUPTVCV-OAQYLSRUSA-N 482.353 4.793 50 10 JJGE BrC[C@@H]1[C@H]2CCN(Cc3ccc(I)c(Br)c3)C[C@@H]21 2325208311 UYOREKLSZQRUKJ-UTUOFQBUSA-N 485.001 4.517 50 10 JJGE CCn1nc(Br)c(CC(CBr)(CBr)C2CCCC2)n1 2351851247 HGFALQTXXKXSER-UHFFFAOYSA-N 458.036 4.569 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H]2CC[C@H](Cl)[C@@H]1C2 2355761429 VCHIJEDXBXCNER-LQJRIPTKSA-N 468.560 4.676 50 10 JJGE Cc1sc(C(=O)NCC(F)(F)C(F)(F)CI)c(Br)c1C 2361675859 DAZQRXZYFYJZPZ-UHFFFAOYSA-N 488.082 4.563 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1 12403428 XLIPLMOAFVMNIH-LSHDLFTRSA-N 468.735 4.837 50 10 JJGE Cc1ccc(CN2c3ccccc3C3=C([C@H](c4ccccc4C)C(C#N)=C(N)O3)S2(=O)=O)cc1 20558600 BCUJBBDKJGBGRP-XMMPIXPASA-N 469.566 4.830 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)cc1 38685915 RGVBRFAUDWYMCM-MHZLTWQESA-N 470.525 4.850 50 10 JJGE Cc1ccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1 40648975 FQIWTNDVHBYAMT-UHFFFAOYSA-N 454.490 4.712 50 10 JJGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(Cl)c2)CCC3)cc1 40813297 FAHVFGCSYLWFAP-ZXVVBBHZSA-N 480.904 4.718 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCCOc1ccccc1 40870102 QEOUELMBQDRKHO-HAVVHWLPSA-N 470.525 4.683 50 10 JJGE COc1cc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 59166283 DTJVWEXMENKTPQ-UBXTYJAUSA-N 478.570 4.744 50 10 JJGE Cc1ccc(-n2c(SCC(=O)/C(C#N)=C3/Nc4ccccc4N3C)nc3ccccc3c2=O)cc1F 71806710 FUYZSDGVAMUAKZ-PLRJNAJWSA-N 497.555 4.792 50 10 JJGE COc1ccc(OC)c(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)c1 263627021 NVRMKVDUIQIBGN-UHFFFAOYSA-N 487.585 4.502 50 10 JJGE C[C@H](Cl)[C@@H]1CCCCN1C(=O)c1cc(I)ccc1Br 688777548 OHKDOHYJSNRQJN-ZANVPECISA-N 456.549 4.676 50 10 JJGE C=CCN(C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2)c1C)[C@H](C)COC 1538864310 DEHAKUIAURXORD-UOBPLZBXSA-N 456.384 4.813 50 10 JJGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743711 JUHVEMBZKUJHDC-UHFFFAOYSA-N 479.920 4.751 50 10 JJGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865693067 RDHWKROYRXNDGH-DEOSSOPVSA-N 488.588 4.745 50 10 JJGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1 1865701916 IDYDKRAWLGRMQJ-IBGZPJMESA-N 453.468 4.955 50 10 JJGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)CC1=O 1872752420 BIUAMVAOLUOUCP-ADSWHHSESA-N 493.516 4.590 50 10 JJGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cccc(OCc2ccc(F)cc2)c1 1873794912 IRAADBDBZNJWQM-AKLYFZKISA-N 491.563 4.991 50 10 JJGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccccc4C3=O)n2)c1 1873921243 ZAXHKBBLRBNDAI-VZCXRCSSSA-N 475.526 4.696 50 10 JJGE COc1cc(C)c([C@@H](Br)c2cc(Br)n(C)n2)cc1Br 1901559641 OYFWMQHLGXWMCA-CYBMUJFWSA-N 452.972 4.746 50 10 JJGE C[C@](CBr)(NC(=O)c1scc(Br)c1Br)C(F)(F)F 2043169518 UBFWYSIFJFXFCF-MRVPVSSYSA-N 473.934 4.719 50 10 JJGE N#CC(=C1C(=O)Nc2ccc([N+](=O)[O-])cc21)c1nc(-c2ccc(Br)cc2)cs1 2053504786 JPFVNAVRCYUIDZ-UHFFFAOYSA-N 453.277 4.867 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NCC2(CBr)CCCC2)C1(C)C 2106789346 XSLSSTNLHIUIGU-QWXGXRTQSA-N 451.471 4.733 50 10 JJGE COCc1cc(Br)c([C@H](Br)c2c(Br)nn(C)c2C)s1 2131599619 RZAUQTCGVROGBL-SNVBAGLBSA-N 473.028 4.946 50 10 JJGE C[C@@H](Br)CCCc1cn(-c2ccc(I)cc2Cl)nn1 2132766369 YGFWWBCNBDKOLS-SECBINFHSA-N 454.537 4.631 50 10 JJGE C[C@@H]1Cc2cc([C@@H](Br)c3c(Br)cnn3C)cc(Br)c2O1 2146617599 ZWHUGDPLAOMOGW-JMCQJSRRSA-N 464.983 4.753 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2[C@H](Br)CCC[C@H]2C1 2150959545 WXNQIJIPEKWNCF-ZWKOPEQDSA-N 466.011 4.847 50 10 JJGE O=C(N[C@@H]1CCCC[C@@H]1CCBr)c1cc(I)ccc1F 2169666189 SGACOMSKGJJAOX-QMTHXVAHSA-N 454.121 4.504 50 10 JJGE O=C(NC[C@@H]1C[C@@H](Cl)C12CCC2)c1ccc(I)c(Br)c1 2172238947 WGYYMDCTGIFWHH-GXFFZTMASA-N 468.560 4.581 50 10 JJGE CC(C)(C)OC(=O)N1CC(c2cnc(NC(=O)c3ccc(CBr)cc3)s2)C1 2201915439 ZIEJEFCAGIOQJQ-UHFFFAOYSA-N 452.374 4.625 50 10 JJGE CC1(C)CC[C@@H](CCl)N(C(=O)c2ccc(Br)cc2I)C1 2207273248 SLAOYYXOGKVTLL-NSHDSACASA-N 470.576 4.923 50 10 JJGE O=S(=O)(Cc1ncsc1Br)N(Cc1ccccc1)C1(CBr)CCC1 2213759585 NVRCBYGWSFNMKD-UHFFFAOYSA-N 494.274 4.555 50 10 JJGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)c(O)cc1O 2256015989 ASHOKOVPVQCGLW-MRXNPFEDSA-N 471.189 4.922 50 10 JJGE Cc1cc(Br)c([C@H](Cl)c2cnn(C)c2I)c(C)c1F 2264490075 TYEQEWNXBBYHKX-LLVKDONJSA-N 457.512 4.871 50 10 JJGE O=C(c1cc(Br)c(F)cc1Cl)N1CCC(CI)CC1 2270349910 PNJKDWODGDZSEC-UHFFFAOYSA-N 460.512 4.529 50 10 JJGE COc1ccc(CCN2C(=O)C(=CNc3cc(Cl)ccc3Cl)C(C)=C(C#N)C2=O)cc1OC 2314578986 GNNGKRBXUCCOSP-UHFFFAOYSA-N 486.355 4.758 50 10 JJGE CC(C)c1ncccc1COC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2342160135 HBFOHJKPFORKPY-UHFFFAOYSA-N 474.383 4.926 50 10 JJGE Cc1ccc(CBr)c(OCc2cc(Br)n(C)n2)c1Br 2352580703 WKRZSLQOPHCFTF-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 13981588 MDXAHOXSPYKAAL-HNNXBMFYSA-N 459.329 4.654 50 10 JJGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(OCCC(C)C)cc1 14036263 SWGSRCAMOLTAKM-UHFFFAOYSA-N 471.623 4.630 50 10 JJGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 14643408 JYWWEHYQNPXCDX-SFHVURJKSA-N 497.389 4.873 50 10 JJGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(F)c2)cc1 38678292 KJEUZSLQYBVEJT-IVCQMTBJSA-N 458.489 4.979 50 10 JJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1 38700883 ZKWXNUQKUXRMRA-DEOSSOPVSA-N 480.476 4.965 50 10 JJGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)cc1C 39858699 CGGZDXOHQNOMAB-JXAWBTAJSA-N 454.461 4.788 50 10 JJGE COc1ccc(Cl)cc1Nc1ncnc(NNC(=O)c2cccc3ccccc23)c1[N+](=O)[O-] 40589732 MRUYPURYDBKERB-UHFFFAOYSA-N 464.869 4.701 50 10 JJGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccccn5)c(C)c43)coc2c1C 40826769 ZEFWRAYXDPWIMJ-TWKHWXDSSA-N 470.529 4.998 50 10 JJGE C[C@H](CBr)CCCNC(=O)c1cc(I)ccc1Br 228290416 CZUIFVFFWDZHME-VIFPVBQESA-N 488.989 4.595 50 10 JJGE CCCCCOc1ccc(CN2C(=O)C(=NNC(=O)c3ccccc3O)c3ccccc32)cc1 245266612 KHSDDOKCVCEYPH-UHFFFAOYSA-N 457.530 4.642 50 10 JJGE Cc1cccc(N(CC(=O)NN=Cc2ccccc2C(F)(F)F)S(=O)(=O)c2ccccc2)c1C 252593820 BMLXGTUSHSKHGK-UHFFFAOYSA-N 489.519 4.668 50 10 JJGE C[C@H](Br)C[C@H]1CCCN1C(=O)c1ccc(I)c(Cl)c1 311395993 ZOKHXDVKGOMIMC-GXSJLCMTSA-N 456.549 4.723 50 10 JJGE C[C@H]1CC[C@H](CBr)CN1C(=O)c1scc(Br)c1Br 688665568 KDIUEUCIVWOSKH-JGVFFNPUSA-N 460.029 4.909 50 10 JJGE CN([C@H](CBr)C(C)(C)C)S(=O)(=O)c1cc(Br)ccc1Br 689230143 LDASFCPSUHLFLL-GFCCVEGCSA-N 492.071 4.642 50 10 JJGE CCOc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 1083929482 FKNZKBZWCGXFFW-UHFFFAOYSA-N 473.360 4.888 50 10 JJGE CCN(CC)c1ccc(C=NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 1084106511 BVDFWVXHTWWBML-UHFFFAOYSA-N 497.231 4.895 50 10 JJGE C=CC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 1686761714 VYFOPUYNMDSBER-SFHVURJKSA-N 450.366 4.670 50 10 JJGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(Cl)c2)CCC3)c1 1772745780 GZZZEJKUNHABOO-UHFFFAOYSA-N 481.936 4.981 50 10 JJGE Cc1ccc(O)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)c1 1865687652 XCPGTWKHYIDCFW-HSZRJFAPSA-N 452.489 4.970 50 10 JJGE CCCc1nn(CC(C)C)c2c1[C@@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688407 RFQCGRJIKVGNPC-SFHVURJKSA-N 475.387 4.577 50 10 JJGE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865694974 GYZXVRWDUURHSH-AREMUKBSSA-N 493.567 4.944 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc1OC 1865696371 ZYWDONLAYADNCJ-XMMPIXPASA-N 495.539 4.568 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)ccc1O 1865705742 DNBMGYYRZGABLP-KRWDZBQOSA-N 476.842 4.536 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)ccc1O 1865706485 XSMVHVNMNHUEKP-QHCPKHFHSA-N 468.488 4.670 50 10 JJGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752644 MHJNIQVWJHVPST-NMWGTECJSA-N 497.488 4.878 50 10 JJGE COc1cc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1ccc(Cl)cc1Cl 1873793270 GOYVJZXTVOHHIG-IETDBYTCSA-N 496.391 4.944 50 10 JJGE COc1ccc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1OCc1ccc(Cl)cc1 1873793518 ODJWTPYZUKNSKG-IYAOEYEUSA-N 487.984 4.777 50 10 JJGE Cc1c(C(F)(F)F)cccc1S(=O)(=O)N(Cc1ccccc1)[C@H](C)CBr 1914340602 ACZDMSDGGWZDQO-CYBMUJFWSA-N 450.320 4.988 50 10 JJGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1cc(Br)c(Br)s1 2042544865 IBOFUKNHDPDJFB-AYHNYZOXSA-N 458.013 4.565 50 10 JJGE CC1(C)CC(CBr)(NC(=O)c2cc(Br)sc2Br)C1 2045113150 DLRSTYBLRCTPBE-UHFFFAOYSA-N 460.029 4.957 50 10 JJGE C[C@]1(CCBr)CCN(C(=O)c2scc(Br)c2Br)C1 2068171940 YJYQUJCHNSDGON-LBPRGKRZSA-N 460.029 4.910 50 10 JJGE CC1(C)[C@@H](NC(=O)c2cc(Br)c(Br)s2)CC[C@H]1Br 2086023663 GNVNZEDKIUMGQD-BDAKNGLRSA-N 460.029 4.955 50 10 JJGE CC1(C)CN(C(=O)c2c(Br)cccc2Br)CC[C@H]1Br 2094088119 HQNOJAHUSKZZPS-LLVKDONJSA-N 454.000 4.847 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H]2CCC[C@]2(CBr)C1 2103173220 SCXOSBMLWZXERR-OQPBUACISA-N 472.040 4.910 50 10 JJGE C[C@@H]1CN(Cc2ccc(Br)cc2Br)C[C@H](CCBr)O1 2122795460 WNOGYQWEOGHHHH-MFKMUULPSA-N 456.016 4.586 50 10 JJGE O=C(c1cc(I)ccc1Br)N1C[C@H]2[C@H](Cl)CCC[C@H]2C1 2150970597 IBTUKTJWXIWFIG-MRCXROJRSA-N 468.560 4.533 50 10 JJGE BrCC(CBr)(C[C@@H]1COCCCO1)c1cccc(Br)c1 2154010693 JNCZRVCORNIGQQ-CQSZACIVSA-N 471.027 4.672 50 10 JJGE CC1(C)CC(CBr)(CNS(=O)(=O)c2cc(Cl)c(Br)s2)C1 2158301064 DWHXBUNQNMEDGE-UHFFFAOYSA-N 465.660 4.644 50 10 JJGE COc1ccc([C@H](Br)C(F)(F)C2(OC)CCC2)cc1I 2284997277 FMELXZCSJLGOQS-LBPRGKRZSA-N 461.084 4.940 50 10 JJGE CS(=O)(=O)C1CC([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2288488772 MGBNRRVWNDAVKW-JCSINIIFSA-N 496.993 4.749 50 10 JJGE CC(C)(C)[C@@H](CBr)CNC(=O)Cc1cc(Br)cc(Br)c1 2295307631 MLFBISYVFAHWGX-NSHDSACASA-N 470.043 4.928 50 10 JJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)C(C#N)=C2C)c(C)c1 2314617674 QTTPGXLTPWOKSM-UHFFFAOYSA-N 464.525 4.635 50 10 JJGE Cc1ccc(COc2ccccc2C=NNC(=O)c2cccn(Cc3ccccc3)c2=O)cc1 2323635335 MORVVOOPAPOEQK-UHFFFAOYSA-N 451.526 4.548 50 10 JJGE CCCCCOc1ccc(C=NNC(=O)c2cc(-c3cccs3)nc(O)n2)cc1OCC 2323701214 SJLOXZYPWRKJQA-UHFFFAOYSA-N 454.552 4.642 50 10 JJGE Clc1ccc(CN2C[C@H](CBr)C3(CCC3)C2)cc1I 2337225655 OAUAKHXXMIIKNB-LBPRGKRZSA-N 454.577 4.942 50 10 JJGE Clc1ccc(CN2CCC3(CC2)C[C@@H]3CBr)cc1I 2337226383 YDGQEYOITSKJTK-GFCCVEGCSA-N 454.577 4.942 50 10 JJGE CC(C)[C@@H]1C[C@H](Br)CN1C(=O)c1cccc(Br)c1Br 2344772804 YUQGSKDTYRKLNX-CABZTGNLSA-N 454.000 4.846 50 10 JJGE FC(F)(F)[C@H]1CN(Cc2ccc(Cl)c(I)c2)C[C@H]1CBr 2362381971 ZNXLMQCXEMARLE-ZJUUUORDSA-N 482.509 4.950 50 10 JJGE CC(C)(C)OC(=O)N[C@@]12CCC(F)(F)C[C@@H]1CN(CC1(CBr)CCCC1)C2 2370174014 DDRWZXPSHWVZEL-DNVCBOLYSA-N 451.396 4.956 50 10 JJGE CC[C@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1cc(Br)ccc1OC 1947240 QNIQOZHFAZTTDR-XYHOIZSOSA-N 469.177 4.561 50 10 JJGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c1 10671499 AZGBKJMERCIFGL-AWEZNQCLSA-N 498.432 4.665 50 10 JJGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)CCC(=O)Nc1cc(C)ccc1C 10683269 LYEBFVOYLXGJGR-XMSQKQJNSA-N 453.583 4.541 50 10 JJGE COc1ccc(OC)c(/C=N/NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c1Br 20551645 DENWLOXGYJZKQS-ZRBXMMQPSA-N 450.160 4.508 50 10 JJGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(C)c3C)ccc21 38650059 SAPPWCVISFMLDR-AREMUKBSSA-N 456.498 4.515 50 10 JJGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812161 PGJDUKYTWLMBGY-WPWMEQJKSA-N 496.907 4.881 50 10 JJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1\C(=O)N(CCOc2ccccc2)c2ccccc21 59165479 QQLBIHIUCOBTBP-WSVZGAEUSA-N 498.366 4.707 50 10 JJGE C[C@H]1CCC[C@@](CBr)(NS(=O)(=O)c2ccc(Br)cc2Cl)C1 136586142 VNCDEWQJPZPBLD-IINYFYTJSA-N 459.631 4.725 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3cccs3)n2-c2ccccc2)cc1 254402949 OSDTXNBMTOINFL-UHFFFAOYSA-N 463.588 4.637 50 10 JJGE C[C@H]1CCCN(C(=O)c2cc(Br)ccc2Br)[C@@H]1CBr 688678398 IJHXRPBNRBBGQM-TVQRCGJNSA-N 454.000 4.847 50 10 JJGE BrCc1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1Br 705935752 VLVVANKVMQCSIH-ROUUACIJSA-N 450.218 4.912 50 10 JJGE O=C(N[C@@H](CBr)CC(F)(F)F)c1cc(Br)c(Br)s1 717844394 NLJVLWJHPHQYST-SCSAIBSYSA-N 473.934 4.719 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3cc(C(=O)OC)ccc3Cl)o2)cc1 725446458 JEEXBSRUZKTCIF-JOCHJYFZSA-N 484.936 4.749 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)n1-c1ccccc1 1084231285 OXYKIMJSVBGXCA-UHFFFAOYSA-N 462.859 4.855 50 10 JJGE Cc1cccc(C(=O)N[C@H]2Cc3ccccc3C2=NNC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 1088701330 ACZAGMPXVJGIFR-NRFANRHFSA-N 482.462 4.774 50 10 JJGE CCOc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747210 MPVHQDVIFQBIBI-UHFFFAOYSA-N 490.516 4.547 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)ccc1OCc1ccccc1 1865686855 COYDSTXQYDUBNH-XMMPIXPASA-N 464.525 4.893 50 10 JJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)cc1OCC 1865691559 VMAZFOROVRXUOZ-XMMPIXPASA-N 458.562 4.899 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)ccc1OCc1ccc(C)cc1 1865695591 QDFFJOCUTPTNJT-VWLOTQADSA-N 458.562 4.962 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)c1OC 1865700810 DVTWBUMHWBVNOR-INIZCTEOSA-N 476.842 4.780 50 10 JJGE BrCC[C@@H]1CN(Cc2cccc(Br)c2Br)CCS1 2031484395 BSUKPZFUSPJYKF-LLVKDONJSA-N 458.057 4.914 50 10 JJGE C[C@@H](Br)[C@@H]1CCCN(C(=O)c2cccc(Br)c2Br)C1 2092332998 LWLOCGORDFWFSK-NXEZZACHSA-N 454.000 4.847 50 10 JJGE C[C@@H]1CC[C@@H](CBr)N(C(=O)c2ccc(Br)cc2Br)C1 2110616821 MZPZLZVJHDLSJW-KOLCDFICSA-N 454.000 4.847 50 10 JJGE COc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)CC(F)F 2123245301 GPKXKPDKVVVVQR-UHFFFAOYSA-N 468.747 4.700 50 10 JJGE ClCCc1nc2cc(Br)cnc2n1[C@H]1CCOC[C@H]1OCc1ccccc1 2146524844 STRXUPRCPHJRAR-ZWKOTPCHSA-N 450.764 4.522 50 10 JJGE CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)ccc1Cl 2179795932 YFCDMPKIPFDWPL-GOSISDBHSA-N 471.848 4.520 50 10 JJGE O=S(=O)(c1c(CBr)sc2ccccc12)N(Cc1ccccc1)[C@H]1CCOC1 2179828614 SAOSEYWXFQLIPV-INIZCTEOSA-N 466.422 4.776 50 10 JJGE O=S(=O)(c1ccc(OCCBr)cc1)N(Cc1ccccc1)C1CCCCC1 2179859912 KQQFRIGHDMEOQD-UHFFFAOYSA-N 452.414 4.984 50 10 JJGE O=C(N[C@@H](CBr)CC1CCOCC1)c1cc(Br)c(Br)s1 2195480724 ARSMEBYOBUSYGV-SECBINFHSA-N 490.055 4.583 50 10 JJGE CCC[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@@H]1CBr 2205703629 OCTOUJZIELAPFN-MNOVXSKESA-N 470.576 4.828 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CN(CCCCCI)C[C@H]1c1ccccc1 2227435674 KCWBNSFMOSCEAR-MOPGFXCFSA-N 472.411 4.832 50 10 JJGE CC(C)(CI)CN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)C1CC1 2306814181 AHCLWKRNDTVENX-MRXNPFEDSA-N 450.405 4.702 50 10 JJGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(O)c(I)c2)cc1 2313567424 HDBUWAUCLZCOOQ-UHFFFAOYSA-N 483.103 4.613 50 10 JJGE Clc1cc(I)c([C@@H](Br)[C@H]2CCn3ccnc3C2)s1 2316605004 DRAMDGSTXAKINW-CPCISQLKSA-N 457.562 4.901 50 10 JJGE COc1ccc(C(=O)N[C@@H](CCBr)COCc2ccccc2)c(Br)c1 2320355901 DPTVFLPGGIFGQE-HNNXBMFYSA-N 471.189 4.558 50 10 JJGE CCCO[C@H]1[C@@H](OCc2cc(I)ccc2Br)C[C@H]1Cl 2341838827 SKWMMKOPYHYEIW-HZSPNIEDSA-N 459.549 4.745 50 10 JJGE ClC1C[C@@H]2C[C@H](C1)CN(Cc1ccc(I)c(Br)c1)C2 2349850568 IJLHXPZYZZSBBI-FUNVUKJBSA-N 454.577 4.893 50 10 JJGE CC(C)[C@H](Br)c1cn(Cc2cc(I)ccc2Cl)nn1 2352371267 XZUSYBXZRVYZOX-ZDUSSCGKSA-N 454.537 4.676 50 10 JJGE Clc1cc(Cl)c(OCc2ncc(I)cn2)c(CBr)c1 2353069715 BAFPBCDSBCHXPG-UHFFFAOYSA-N 473.923 4.862 50 10 JJGE O=C(NCC(F)(F)C(F)(F)CI)c1cc(Cl)ccc1Br 2361687870 VUBUZDIKLJPCTJ-UHFFFAOYSA-N 488.444 4.538 50 10 JJGE Cc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)cc1 3038365 YZPZGGVYNATQEY-TZNSRIICSA-N 485.024 4.638 50 10 JJGE O=C(c1ccc(N2C(=O)CCC2=O)cc1)N(/N=C/c1cccs1)c1nc2ccc(F)cc2s1 9148887 BENKHVRVNQJQQQ-DHRITJCHSA-N 478.530 4.831 50 10 JJGE O=C(c1ccc([N+](=O)[O-])o1)N(/N=C/c1ccc([N+](=O)[O-])s1)c1nc2ccc(F)cc2s1 9149063 KTHFGSINAQXSON-UFWORHAWSA-N 461.412 4.587 50 10 JJGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1 38651573 APUDDPVSTQAZHD-JOCHJYFZSA-N 477.314 4.895 50 10 JJGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 38653868 GCKDPGQXQNPOCY-DEOSSOPVSA-N 471.469 4.819 50 10 JJGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(F)c2)ccc1Cl 38678171 GBWVUYJLSZVOAQ-DEOSSOPVSA-N 464.880 4.990 50 10 JJGE COc1ccc(C)cc1Nc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 40584012 HVUCOBHPMQZKSZ-UHFFFAOYSA-N 484.516 4.721 50 10 JJGE CCCCOc1ccc(Nc2ncnc(NNC(=O)c3cccc(Cl)c3)c2[N+](=O)[O-])cc1 40620038 CKRKMAYSQWDRBQ-UHFFFAOYSA-N 456.890 4.718 50 10 JJGE O=C(NNc1ncnc(NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccc(Cl)cc1 40650601 UGRVNNWFKYNVFG-UHFFFAOYSA-N 474.908 4.997 50 10 JJGE Cc1ccc2c(Nc3ncnc(NNC(=O)c4ccc(Br)cc4)c3[N+](=O)[O-])cccc2n1 40657936 QBIGMUIXQDOQMB-UHFFFAOYSA-N 494.309 4.504 50 10 JJGE COc1cc(OC)c([C@H](Br)c2csc(I)c2)c(OC)c1 124409434 HTYZLMKVRPNMID-CQSZACIVSA-N 469.138 4.863 50 10 JJGE O=C(COc1ccc(Cl)cc1Cl)NN=Cc1ccc(OC(=O)/C=C\c2ccco2)cc1 252643222 ZTLCBGZNHONBPX-XMCDGKJDSA-N 459.285 4.734 50 10 JJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cccc4ccccc34)cc2)cc1 254606874 FMJDXXSZDIKDAG-UHFFFAOYSA-N 454.482 4.597 50 10 JJGE Cc1nnc(SCC(=O)NN=Cc2ccc(OCCOc3ccc(C(C)(C)C)cc3)cc2)s1 254748497 CNTHEJNQZANTFN-UHFFFAOYSA-N 484.647 4.844 50 10 JJGE Clc1cc(I)c(OC2CC(Cl)C2)c(I)c1 306785584 JRPZNKIIPRCOSZ-UHFFFAOYSA-N 468.887 4.698 50 10 JJGE C[C@H](CCl)[C@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 721615837 DSFCTLOEWIHIBZ-QMTHXVAHSA-N 470.576 4.923 50 10 JJGE Cc1cccc(COc2ccc([C@H](C)NC(=O)NNC(=O)c3cccc4cccnc34)cc2)c1 727844184 VUSCRUSKNQUNBY-IBGZPJMESA-N 454.530 4.827 50 10 JJGE Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c(C)c1 761400125 GGCWZSPIVNKIEC-XUVWKZFSSA-N 481.556 4.866 50 10 JJGE CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](CC(=O)OC)c2ccc(Br)cc2)c1C 837138675 BICTZIDIWOPYIA-SRKIZSPNSA-N 472.383 4.605 50 10 JJGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)[C@H](C)c3ccc(CC(C)C)cc3)c3ccccc32)cc1 1083939967 KNZHEYXCMHZSMD-OAQYLSRUSA-N 496.611 4.803 50 10 JJGE COc1cc(C=NNC(=O)[C@@H](C)SCc2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 1084115648 DTJVWEXMENKTPQ-GOSISDBHSA-N 478.570 4.744 50 10 JJGE C[C@@H](Sc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(OCC(=O)NCc2ccccc2)cc1 1084136688 COLBXCLVRIDJBL-GOSISDBHSA-N 482.005 4.666 50 10 JJGE O=C(CSCc1ccccc1Cl)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 1084357526 QREBUAICJMKWQN-UHFFFAOYSA-N 467.978 4.741 50 10 JJGE COCc1cc(C)nc(OCC(=O)NN=Cc2ccc(-c3cccc(Cl)c3Cl)o2)c1C#N 1084404435 UWLPWGZHAIEZMN-UHFFFAOYSA-N 473.316 4.504 50 10 JJGE N#CC1=C(N)N(c2c(Cl)cc(C(F)(F)F)cc2Cl)NC1(C(F)(F)F)C(F)(F)F 1614978045 BYCCCNJGJUOYMT-UHFFFAOYSA-N 459.099 4.894 50 10 JJGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)c1C 1772744848 LGJRXLJRBVNUDQ-UHFFFAOYSA-N 460.490 4.836 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)cc1OC 1865695769 SRMFYNSCDYMYDI-NRFANRHFSA-N 450.926 4.714 50 10 JJGE CC(C)(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc5c(c4)OCCO5)cs3)cc2C1=O 1872750850 MSPKSMQOGVOJPV-PYCFMQQDSA-N 487.537 4.926 50 10 JJGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c1 1873921114 VVQJUVYPCUXOJZ-SXKPWUIASA-N 489.553 4.941 50 10 JJGE O=S1(=O)CCC([C@H](Br)c2sc(Br)cc2Br)CC1 1922886212 RISLYUZLTPBLHA-VIFPVBQESA-N 467.042 4.534 50 10 JJGE O=C(NC[C@H](Br)CC(F)(F)F)c1scc(Br)c1Br 2055499350 FRWHQZKZJDTMEV-SCSAIBSYSA-N 473.934 4.719 50 10 JJGE CC[C@@H]1CN(C(=O)c2cc(Br)c(Br)s2)C[C@H]1CBr 2084899291 MUELJMSJJOKMLL-HTQZYQBOSA-N 460.029 4.766 50 10 JJGE CC(C)(CBr)c1cn(Cc2cccc(Br)c2Br)nn1 2108760213 GKPICHUSHHRKQQ-UHFFFAOYSA-N 451.988 4.524 50 10 JJGE O=C(NC[C@@]1(CBr)CC12CCC2)c1cc(Br)ccc1Br 2154201609 IXEAYZHMHFYGJM-HNNXBMFYSA-N 466.011 4.897 50 10 JJGE CN(Cc1c(Br)nnn1C)c1c(CBr)ccc(Br)c1Cl 2156477589 ZCHQOCWMCURKOJ-UHFFFAOYSA-N 487.421 4.525 50 10 JJGE CC(C)[C@H](Br)[C@H](C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2159243707 HNTRIMPYLGWUOI-CPCISQLKSA-N 468.038 4.842 50 10 JJGE Cc1cccc(C(=O)N(C)C2(CBr)CCCCC2)c1I 2170163211 GEDMGKMXCLSEGU-UHFFFAOYSA-N 450.158 4.769 50 10 JJGE CN([C@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)C1CCC(CBr)CC1 2179826385 RJOHXPOMUCYISP-DXBWTPJFSA-N 458.462 4.586 50 10 JJGE Cc1c(Br)cnc2c1nc(CCl)n2CCCOCCOCc1ccccc1 2184921734 BEEUUPSDJCJJRN-UHFFFAOYSA-N 452.780 4.865 50 10 JJGE C[C@@H]1C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)[C@@H](C)N(C(=O)OC(C)(C)C)C1 2211277186 CSURYDVPJVIHEM-BRWVUGGUSA-N 463.710 4.516 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1[C@H]2CC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2249340138 BWUUUKBBCWJGIZ-KNCDZKKRSA-N 475.721 4.564 50 10 JJGE O=C(N[C@H](CBr)c1ccccc1)c1ccc(Cl)c(I)c1 2283650999 COSIGJGKXAHNQH-CQSZACIVSA-N 464.528 4.811 50 10 JJGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(OC)c(O)c(Br)c2Br)cc1 2293556317 XYFMGVFKBDBFIR-UHFFFAOYSA-N 496.155 4.870 50 10 JJGE C[C@H](Br)[C@H](NC(=O)Cc1cc(Br)cc(Br)c1)C(F)(F)F 2295311412 KLOPEGVZGYPEQI-KGFZYKRKSA-N 481.932 4.585 50 10 JJGE CC(C)[C@@H](CCl)N(Cc1ccccc1)C(=O)c1c(Br)c(Br)nn1C 2301020546 ABEOJNJHDRSILR-CYBMUJFWSA-N 477.628 4.851 50 10 JJGE CC(C)Oc1c(Cl)cc(C=NNC(=O)c2cc(-c3cccs3)nc(O)n2)cc1Cl 2318418142 QUGUXTNJYYTPLX-UHFFFAOYSA-N 451.335 4.769 50 10 JJGE Cc1sc2ncn(CC(=O)NN=Cc3ccc(C(F)(F)F)cc3)c(=O)c2c1-c1ccccc1 2325903995 YGPFPAKFZZEGGJ-UHFFFAOYSA-N 470.476 4.603 50 10 JJGE O=C(N[C@H]1C[C@H](CBr)C12CCC2)c1c(Br)cccc1Br 2379719962 NWRNLBIZPABBAN-SKDRFNHKSA-N 466.011 4.895 50 10 JJGE CCOc1cc(/C=C(/C#N)c2nn(CCO)c(N)c2C#N)ccc1OCc1ccc(Cl)cc1Cl 6600606 MLWBFODGNRXQRD-MFOYZWKCSA-N 498.370 4.678 50 10 JJGE CC(C)CCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc1 14644460 WUDVXIAPKXWAIB-AWEZNQCLSA-N 483.790 4.756 50 10 JJGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(F)cc1 38653033 PVNCREXTDUNZDX-DEOSSOPVSA-N 464.880 4.990 50 10 JJGE COc1cc(/C=N/NC(=O)COc2cccc(Br)c2)ccc1OCc1ccccc1C 40911559 ROXYJBJWDHGUHZ-VULFUBBASA-N 483.362 4.874 50 10 JJGE COC(=O)/C(C#N)=C/c1cccc(OC(=O)COc2cc(C)c(Br)cc2C(C)C)c1 40944683 GVPZUSIRYLEZBV-RQZCQDPDSA-N 472.335 4.945 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3cc(C(=O)O)ccc3Cl)c2C)cc1 58894503 UBMNUFMGHVPOSA-CGNQLUSGSA-N 497.979 4.808 50 10 JJGE O=C(N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)C1CCCCC1 59158073 KKGZNUBXPQIOAQ-QQTULTPQSA-N 458.331 4.536 50 10 JJGE COc1cccc(/C=N/NC(=O)c2ccccc2OCc2ccc(Br)cc2)c1O 96095902 RJMWRUSYZNYXOM-ZMOGYAJESA-N 455.308 4.506 50 10 JJGE COc1cc([C@@H](C(=O)NC2CCCCCC2)N(C(=O)CCl)C2CC2)ccc1OC(C)C 97914877 LSUQFPUFQITUPZ-QHCPKHFHSA-N 451.007 4.592 50 10 JJGE O=C(NNc1ccc(F)c(F)c1F)c1cccnc1Oc1ccc(F)cc1Br 110781611 HLKPKWMVFQDIGS-UHFFFAOYSA-N 456.193 4.950 50 10 JJGE Cc1cc(Oc2ccccc2)ccc1N(C(=O)CCl)[C@H](C(=O)N1CCN[C@H](C)C1)c1cccs1 205187655 QZNZEEVDEXBNPK-CLOONOSVSA-N 498.048 4.982 50 10 JJGE CCCCCOc1ccc(/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1OC 214308283 XVKNWCGSRDSWLI-QNGOZBTKSA-N 454.567 4.672 50 10 JJGE O=C(NC[C@@H]1CCCC[C@H]1CCl)c1cc(Br)ccc1I 236015430 AOABWIFFBDDANJ-QWRGUYRKSA-N 470.576 4.829 50 10 JJGE C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(Cl)cc1 252598713 DCNVGHQCQGTBCC-KRWDZBQOSA-N 469.014 4.669 50 10 JJGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2)cc1)/C(=C\c1cccs1)NC(=O)c1ccccc1 254398387 MATZHVMTRBTCBZ-GMYZUSBHSA-N 495.560 4.889 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc([N+](=O)[O-])cc3)cc2OCC)cc1 254734416 RIAYJMGVVQLXFX-UHFFFAOYSA-N 491.500 4.765 50 10 JJGE CNc1ccccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382734497 WEQCLEHZLLJILK-SJLPKXTDSA-N 450.320 4.516 50 10 JJGE C[C@H](CNC(=O)c1cc(I)ccc1Br)C[C@@H](C)Br 397860815 XNWVOMUGXIYCOS-DTWKUNHWSA-N 488.989 4.593 50 10 JJGE FC(F)(F)c1cnc(N2[C@H]3CC[C@H]2CC(Br)C3)c(I)c1 686109815 PDENRNWEHFCYTC-UWVGGRQHSA-N 461.063 4.600 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CC[C@H]2CC[C@H](Cl)[C@H]1C2 721515569 XAUVHZLBCQFMHZ-BIGNPOOSSA-N 468.560 4.676 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CCCC[C@H](CCl)C1 721621835 QWHOUFKUKFYPEL-SNVBAGLBSA-N 456.549 4.535 50 10 JJGE COc1cc(C=NNC(=O)c2ccc3c(c2)OCO3)ccc1OCc1cccc2ccccc12 1084149091 MAZSBVJOZPSPFT-UHFFFAOYSA-N 454.482 4.920 50 10 JJGE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)c(C)c1 1858687290 JKVKNUPQBZFWFG-QGZVFWFLSA-N 464.478 4.932 50 10 JJGE COc1ccc(OC)c(/C=C/C(=O)Nc2cccc(C(=O)Nc3ccc(SC#N)cc3)n2)c1 1860568146 ICZFSRACDRCEKH-AWNIVKPZSA-N 460.515 4.576 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865684488 QUNHBMKTBDAZAE-HSZRJFAPSA-N 450.498 4.531 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccncc2)C(C#N)=C(N)O3)cc1 1865701799 FUUKBXHYJIJRJD-QFIPXVFZSA-N 469.932 4.874 50 10 JJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706489 XTYAYQSPGAXIKX-QHCPKHFHSA-N 495.495 4.683 50 10 JJGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 1865759729 PJHJPAQGDPFVPC-MRXNPFEDSA-N 453.489 4.687 50 10 JJGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867057843 JMZMWWCDYBPZIY-ZNZIZOMTSA-N 499.592 4.655 50 10 JJGE CCC[C@H](NC(=O)Cc1ccc(C)c(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867230445 KNDXBHFVBLRNLQ-IBGZPJMESA-N 460.397 4.797 50 10 JJGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2c2nc3c([nH]2)CCCC3)n1 1868253455 ICHJSMOFKRWHKA-NRFANRHFSA-N 475.622 4.926 50 10 JJGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)c([N+](=O)[O-])cc1OC 1872759660 VUTNCMQLEHGTKC-ZHZULCJRSA-N 499.501 4.711 50 10 JJGE CC1(C)CN(C(=O)c2scc(Br)c2Br)C[C@@H]1CBr 1914530710 FESQZJITQGHMEY-ZETCQYMHSA-N 460.029 4.766 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CBr)OCc1ccc(F)cc1Br 1994982356 XEVJQDDORZAVCX-INIZCTEOSA-N 455.162 4.783 50 10 JJGE O=C(N[C@H](CBr)c1ccsc1)c1cc(Cl)ccc1I 2119038322 HYPDXDCNZBVVLU-GFCCVEGCSA-N 470.557 4.872 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CCC2(CC1)C[C@H]2CBr 2148909582 KIJIVIASFRRESE-JTQLQIEISA-N 466.011 4.849 50 10 JJGE C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(CBr)c2)[C@H](C)CN1Cc1ccccc1 2179787237 LWWMVSYCBHHIEN-HZPDHXFCSA-N 471.848 4.518 50 10 JJGE O=S(=O)(c1ccc(Cl)c(CBr)c1)N1CC2(CC(OCc3ccccc3)C2)C1 2179790791 IXXLJCLJRZVKEP-UHFFFAOYSA-N 470.816 4.605 50 10 JJGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)Cc1ccccc1Br 2213760807 LQECRRATECNACO-KRWDZBQOSA-N 475.246 4.955 50 10 JJGE Cc1cc(Br)c([C@H](Br)[C@@H]2CO[C@@H]3COC[C@@H]32)c(C)c1Br 2235598833 JQAKTMZCAFISEU-NDLNZWKESA-N 469.011 4.926 50 10 JJGE BrC[C@@]1(Cc2ccc(I)c(Br)c2)CCCCO1 2306227448 NGELASPIIUNHDC-ZDUSSCGKSA-N 473.974 4.930 50 10 JJGE CCOCCCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cc2cccc(OC)c2o1 2314450631 IJRGPMOAOYHQRG-UHFFFAOYSA-N 470.529 4.744 50 10 JJGE Cc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C)cc3C)nc3ccccn3c2=O)c1 2314532495 JLTIZILJKJDUFT-UHFFFAOYSA-N 450.498 4.958 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCC)c(OCC)c2)c(OC)c1 2314777645 OECNEGYKDIEPBW-UHFFFAOYSA-N 492.572 4.935 50 10 JJGE CN(C[C@H](Br)CCc1ccc(I)c(Br)c1)C1CC1 2325203342 DAQPWSFDQLBBLK-LLVKDONJSA-N 487.017 4.844 50 10 JJGE O=C(CCC(=O)Nc1ccccc1Br)N/N=C/c1ccc(OCc2ccccc2)cc1 3112465 DIDWPLLDBKFFPT-WGOQTCKBSA-N 480.362 4.897 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)/C=C/c2ccccc2Cl)c(Br)c1 12403477 YBDLXISEFGLUNJ-DHZHZOJOSA-N 465.775 4.640 50 10 JJGE O=C(NNc1ncnc(Nc2cccc(Br)c2)c1[N+](=O)[O-])c1cccc2ccccc12 40658728 NTVHUPUBEIXKJV-UHFFFAOYSA-N 479.294 4.801 50 10 JJGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1cc(Cl)ccc1Cl 40778289 FOJKDUQUXFRFQC-UHFFFAOYSA-N 488.162 4.938 50 10 JJGE Nc1c(NNC(=O)c2ccccc2Cl)ncnc1Oc1ccc(Br)c2cccnc12 40784846 GLJWKLSDHAICQD-UHFFFAOYSA-N 485.729 4.572 50 10 JJGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1Nc1ccc(OC(F)(F)F)cc1 40793475 KGLPACZFGZNVLE-UHFFFAOYSA-N 473.242 4.765 50 10 JJGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C)cc2C(C)(C)C)c(OC)c1 40878679 GPHJVAORVGOTHC-XSFVSMFZSA-N 464.562 4.719 50 10 JJGE CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc(Br)c1O 40960416 HIBODHDOBKQSQD-YCYNJWQJSA-N 469.763 4.741 50 10 JJGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C(\C)c1ccc(Br)cc1 58990985 UKKWEKKVEDOVTG-KOEQRZSOSA-N 498.450 4.644 50 10 JJGE Cc1cccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(I)c2)c1 59157410 KDWIYMFVHACSEZ-VULFUBBASA-N 495.320 4.814 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)COc2cc(C)ccc2C(C)C)cc1 59166243 YGEFKEWFHSASMS-JVWAILMASA-N 480.586 4.724 50 10 JJGE Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)cc2)n1 97553519 JQCUOZRTYGALFO-SFTDATJTSA-N 466.994 4.604 50 10 JJGE CCSc1ccc(Cl)cc1CC(=O)N/N=C\c1cc(Br)cc(OC)c1O 169922292 RCDOLHFBOGXWTI-FBHDLOMBSA-N 457.777 4.622 50 10 JJGE O=C(Nc1nnc(CCl)s1)/C(Cc1ccccc1)=C1\SC(=S)N(c2ccccc2)C1=O 211919029 VTHVWSZNYMAYBO-ICFOKQHNSA-N 487.031 4.777 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(OCCCC(F)(F)F)CC1 231319179 DHUUZUZPQMHEIN-UHFFFAOYSA-N 451.267 4.550 50 10 JJGE O=C(N[C@H]1CCCC[C@H]1CBr)c1ccc(I)c(Cl)c1 231612746 VRAJGUTZJVRMMI-GWCFXTLKSA-N 456.549 4.628 50 10 JJGE O=C(NC[C@H]1CCC[C@H](CBr)C1)c1ccc(I)c(Cl)c1 380155650 YFVPJGTZOKTIDJ-QWRGUYRKSA-N 470.576 4.876 50 10 JJGE Cn1ncc([C@@H](Br)c2cc(Cl)sc2Cl)c1I 382177024 NCIMVTIDRVNMJS-ZETCQYMHSA-N 451.942 4.877 50 10 JJGE CC[C@H](Br)[C@@H](CC)NC(=O)c1ccc(I)c(Br)c1 721606697 XAUYJJQIGFCFIM-JOYOIKCWSA-N 488.989 4.736 50 10 JJGE O=C(N[C@@H](CCBr)C1CCCCC1)c1cccc(I)c1 725038703 XWUWKHJPHVACBK-HNNXBMFYSA-N 450.158 4.755 50 10 JJGE COc1cc(C=NNC(=O)c2ccccc2Br)ccc1OCc1ccc([N+](=O)[O-])cc1 916247593 LNBRDKWMWQWCQP-UHFFFAOYSA-N 484.306 4.709 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(-c2ccccc2)n1 918685255 GJCYQDKHNBXJBX-OMPKPLDESA-N 495.427 4.960 50 10 JJGE NNC(=O)c1cc(Br)cc(Br)c1OCc1cccc2ccccc12 953077445 LSGUADOCTDGNAD-UHFFFAOYSA-N 450.130 4.547 50 10 JJGE CC(=O)c1ccc(Nc2ccccc2C(=O)NNc2nc(-c3cccnc3)nc(C)c2C)cc1 1558936627 OVCYDRGVMYMVKQ-UHFFFAOYSA-N 452.518 4.859 50 10 JJGE COc1ccccc1NC(=O)[C@@H](C)Oc1cccnc1NC(=O)Nc1ccc(SC#N)cc1 1858842517 RVTRFBPYFPZFBJ-OAHLLOKOSA-N 463.519 4.713 50 10 JJGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccn2)cc1OCC 1865687086 JFDWEJIJBPCQOY-HSZRJFAPSA-N 459.550 4.625 50 10 JJGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)cc1OC 1865696242 KZWBEKWKSHVRSE-QGZVFWFLSA-N 450.461 4.718 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccccn2)C(C#N)=C(N)O3)cc1 1865700131 LMHBNMAJUQRHAM-OAQYLSRUSA-N 455.905 4.814 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705642 ASPNPWCPSNPRFY-IBGZPJMESA-N 480.322 4.714 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1cccc([N+](=O)[O-])c1 1865706328 UAFLIXDTIFAFBI-INIZCTEOSA-N 475.814 4.730 50 10 JJGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CC(C)(C)c4ccccc4[C@H]3C2)n1 1868480539 OIVZFSVAOUDPFR-JOCHJYFZSA-N 470.602 4.783 50 10 JJGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(C)c4)cs3)cc2C1=O 1872744930 PCZABIBYMRWSPE-ATJXCDBQSA-N 489.553 4.710 50 10 JJGE CC[C@H](N)Cc1cc(Br)cc(Br)c1OC[C@@H]1C[C@@H]1Br 1887907977 LRDKJOKBWLUMMU-DLOVCJGASA-N 456.016 4.654 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 1896582148 KQIVTZTZAMGKDF-XSDIEEQYSA-N 452.686 4.866 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C 1908358507 OHYBSTGAWVBIEO-BBWFWOEESA-N 475.721 4.516 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1[C@H]2CC[C@H]1[C@H](CBr)C2 2039489904 GKXPFEQBZQZQGO-ZKWXMUAHSA-N 458.013 4.661 50 10 JJGE BrCc1cc(Br)c(OC[C@H]2[C@H]3COCC[C@H]32)c(Br)c1 2093711363 SJGKOORYYJDDTE-OUAUKWLOSA-N 454.984 4.768 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@@H](Br)C2(CCC2)C1 2108693152 DBPYVUQSJRAJEH-GFCCVEGCSA-N 451.984 4.601 50 10 JJGE BrCc1cc(Br)c(OC[C@@H]2C[C@@H]3C[C@H]3CO2)c(Br)c1 2122884168 VMKDGUHQMWEKDA-DCAQKATOSA-N 454.984 4.910 50 10 JJGE CN([C@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Cl 2123201234 UFNFVNVZJPNHBP-ZWKOTPCHSA-N 458.805 4.603 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@H](Br)C(F)(F)CC1 2150019516 SGPNIKCUOHJASF-NSHDSACASA-N 475.953 4.846 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CCCCCI)CC2)C1 2220222242 ICZCBQILERRERQ-GOSISDBHSA-N 464.432 4.951 50 10 JJGE F[C@H](COc1c(Br)cc(CBr)cc1Br)[C@H]1CCOC1 2229950528 ULZMXXGBHMBKCN-JOYOIKCWSA-N 460.963 4.860 50 10 JJGE C[C@@H](Br)CN(C(C)(C)C)S(=O)(=O)c1cc(Cl)c(Br)s1 2272455489 YKXSTTVBFISJEI-SSDOTTSWSA-N 453.649 4.737 50 10 JJGE CC(C)(CBr)CCNC(=O)Cc1cc(Br)cc(Br)c1 2277934984 CRAVGBONYJZUHM-UHFFFAOYSA-N 456.016 4.682 50 10 JJGE O=C(NC[C@@H]1CCCC[C@@H]1CBr)c1ccc(Cl)c(I)c1 2283651888 NHVULMYTNBJZDB-NEPJUHHUSA-N 470.576 4.876 50 10 JJGE CC1(C)[C@H]2CO[C@@]1(CO[C@@H](CI)c1ccc(Br)cc1)C2 2289222641 OGERJKMGSXRZMY-IVMMDQJWSA-N 451.142 4.757 50 10 JJGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Cl)cc(Cl)c2O)cc1 2295489469 HMULOSMYPHIQOH-UHFFFAOYSA-N 497.382 4.686 50 10 JJGE CN(Cc1ccc(I)c(Br)c1)[C@@H]1CCC[C@@H]1Br 2306222797 YTHQTNDSCINCOE-GXFFZTMASA-N 472.990 4.802 50 10 JJGE C=CC[C@H](Br)[C@H]1CCN1C(=O)c1scc(Br)c1Br 2314217408 TYLZOLODAHTQEF-IONNQARKSA-N 458.013 4.827 50 10 JJGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OC)cc1 2314634266 SIGBFZWIMBLFJN-SANMLTNESA-N 454.482 4.541 50 10 JJGE O=C(COc1ccccc1-c1ccccc1)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1 13980048 MMLKBUDUTYUJPO-UHFFFAOYSA-N 495.604 4.586 50 10 JJGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 14667009 NTVDLZVLQJDTDT-UHFFFAOYSA-N 497.389 4.991 50 10 JJGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)Cc1cccc2ccccc12 14668239 VMMKFKAKTXGTAV-UHFFFAOYSA-N 469.379 4.669 50 10 JJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)c(Br)c1 14832184 AUBOIDPRITXFMW-CYBMUJFWSA-N 497.817 4.838 50 10 JJGE COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)c3nc(O)c4ccccc4n3)cc2OC)cc1 33721051 ZPGUARVXDQRJRL-AQTBWJFISA-N 453.454 4.636 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1 38685815 WSSCDTSMHKNLNL-VWLOTQADSA-N 476.916 4.941 50 10 JJGE CC(C)c1ccc(Oc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 40611047 JFZBHUUIJLVAGO-UHFFFAOYSA-N 472.845 4.619 50 10 JJGE CCCc1ccc(OCC(=O)N/N=C/c2ccc(OCC)c(OCC)c2)c(Br)c1 40960135 KPTMYHHFARVEAH-ZVHZXABRSA-N 463.372 4.728 50 10 JJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCc2ccc(OCC)c(OC)c2)c(OCC)c1 41000128 WVOHBDXWFDONPN-XSFVSMFZSA-N 467.518 4.501 50 10 JJGE O=S(=O)(NC[C@H]1CC[C@@H](Br)C1)c1c(Cl)cc(Br)cc1Cl 227792866 COPHQWMXXVDOMS-JGVFFNPUSA-N 466.022 4.598 50 10 JJGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=Cc1ccccc1 254760204 VPBNFMIIPNYMIK-UHFFFAOYSA-N 474.611 4.568 50 10 JJGE CC(=NNC(=O)c1ccc(Br)o1)c1ccc(NC(=O)/C=C/c2ccccc2)cc1 254853244 GEPGIFOXEGFGFR-RYMDWPABSA-N 452.308 4.848 50 10 JJGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)C(c1ccccc1)c1ccccc1)[C@H]2Br 256019295 RXLDNHAVEWDMFJ-ZTCOLXNVSA-N 455.396 4.556 50 10 JJGE O=C1OC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]4Sc5[nH]c(=S)sc5[C@H](c5cccc(Br)c5)[C@@H]43)[C@H]12 256027615 YMHCYOGCTFCMAD-QSAXWINLSA-N 480.430 4.756 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(S)cc2)C1 382715092 JNNDNGKHSQMRJU-SJLPKXTDSA-N 453.345 4.763 50 10 JJGE ClCc1nc2cc(I)ccc2n1Cc1coc(Br)c1 393532753 COQNWFIACYNZLE-UHFFFAOYSA-N 451.489 4.784 50 10 JJGE O=C(CBr)c1cc(Br)cc(I)c1C(F)(F)F 575692509 VOAMKSLCGHIZKX-UHFFFAOYSA-N 471.836 4.650 50 10 JJGE CO[C@]1(CC(CBr)(CBr)c2cccc(Br)c2)CCOC1 692461396 FTIBBBDTXICNNJ-HNNXBMFYSA-N 471.027 4.672 50 10 JJGE Cl[C@@H](c1cc(I)cc2c1OCC2)c1ncsc1Br 698647202 FILXNUGICCDLCW-VIFPVBQESA-N 456.530 4.773 50 10 JJGE C[C@H]1CCN(C(=O)c2ccc(Br)cc2Br)C[C@H]1CBr 700432604 PYKDSKZPVZORNE-VHSXEESVSA-N 454.000 4.705 50 10 JJGE COc1ccc(Oc2ncc(Br)cc2CCl)cc1I 712925354 MKKZYCJLKLTYCE-UHFFFAOYSA-N 454.489 4.988 50 10 JJGE C[C@H](Br)[C@H]1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 719786360 JGAXQTXCPXIJDT-YUMQZZPRSA-N 466.022 4.550 50 10 JJGE O=C(N[C@H](CCl)C1CCCCC1)c1ccc(I)c(Br)c1 721575658 ALHCIQXXBWWBDS-CQSZACIVSA-N 470.576 4.971 50 10 JJGE CN(C(=O)c1ccc(I)c(Br)c1)[C@H]1CCCC[C@H]1Cl 721619797 MLTALCHAFZHOOO-YPMHNXCESA-N 456.549 4.676 50 10 JJGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)CSCc1nc(O)c2c3c(sc2n1)CCCC3 746180886 OOZMHMGQWZQWBB-UHFFFAOYSA-N 471.560 4.751 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)c2cccc(Br)c2)c(-c2ccccc2)n1 761417336 STMSZQRJIUKZCR-UNOMPAQXSA-N 489.329 4.559 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](c2cccc(OC(F)(F)F)c2)[C@@H](CI)C1 1614693466 MLIPAJXKGFEFSV-GXTWGEPZSA-N 471.257 4.971 50 10 JJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1 1865692773 FZFAHDXMFCBJMT-LJQANCHMSA-N 470.451 4.907 50 10 JJGE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OC(=O)c2ccccc2)cc1 1865705305 RJXWLWLYVPCVER-LJQANCHMSA-N 482.462 4.995 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865706788 FQKMFCNCYTZPLR-FQEVSTJZSA-N 457.317 4.723 50 10 JJGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1cccc(Br)c1CCl 1912989578 NBQPHORLDOHIAC-UHFFFAOYSA-N 458.743 4.602 50 10 JJGE O=S(=O)(c1cc(Cl)c(Br)s1)N1[C@H]2CCC[C@H]1CC(Br)C2 1922793190 RBESLFQMNAAKRZ-IUCAKERBSA-N 463.644 4.633 50 10 JJGE O=S(=O)(c1cc(Br)cc(CBr)c1F)N(Cc1ccccc1)C1CC1 2009644340 IOLKRGBFWNAIGQ-UHFFFAOYSA-N 477.193 4.836 50 10 JJGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1cc(CCl)sc1Br 2035640811 DUYGFSGQCHMGGG-UHFFFAOYSA-N 466.850 4.867 50 10 JJGE C[C@@H]1C[C@@H](Br)CCN(C(=O)c2scc(Br)c2Br)C1 2041563778 QDNUREBJMAWLBW-SFYZADRCSA-N 460.029 4.909 50 10 JJGE Cc1sc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c(Br)c1C 2221864843 JSKRNCCUHOTVQE-UHFFFAOYSA-N 469.492 4.763 50 10 JJGE O=C(c1csc(I)c1)N1[C@H](CBr)C[C@H]2CCCC[C@H]21 2232023740 BSMSMIMXBQTYTI-ADEWGFFLSA-N 454.171 4.521 50 10 JJGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1 2313546039 YLADHZLJZPSLIJ-UHFFFAOYSA-N 453.542 4.530 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)COc4ccc(Cl)cc43)n2)cc1F 2331337658 PRELHNCJAFMSRQ-UHFFFAOYSA-N 471.897 4.829 50 10 JJGE C=CC[C@@H](Br)[C@@H]1CCN1C(=O)c1ccc(Br)cc1I 2335805331 CZQUWBFPHLSQPW-YPMHNXCESA-N 498.984 4.608 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccc(C(=O)O)cc1 2860188 RLFZNDWNWIDENF-KGENOOAVSA-N 472.497 4.917 50 10 JJGE CCCCOc1cccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)c1 14041636 JRJXYXDJCVLRPH-UHFFFAOYSA-N 471.351 4.621 50 10 JJGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Br 14644174 DZPINKZJALUDFN-KBPBESRZSA-N 483.790 4.610 50 10 JJGE C=CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Oc1ccccc1Br 20311325 DEVYARKBRVIADN-AEOXGOBCSA-N 482.172 4.694 50 10 JJGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(Cl)c(Cl)c2)c(OC)c1 33677907 AHMYAUJKTWSVLI-HUYUXTNASA-N 457.313 4.830 50 10 JJGE CCCCc1nc(N2CCN(C(=O)C(C)(C)CCl)CC2)c2c(C)nn(-c3ccc(F)cc3)c2n1 37377298 IIAJBGMCLOXRHC-UHFFFAOYSA-N 487.023 4.519 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1cccc(Br)c1 38651481 ULTHPGMWTUSGMF-OAQYLSRUSA-N 492.285 4.795 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)cc1OC 38659664 SXRHRPPVNWJBLY-SANMLTNESA-N 486.524 4.930 50 10 JJGE COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 59433090 ROVYLYODNIDNFZ-LFIBNONCSA-N 490.428 4.858 50 10 JJGE Cc1nn(C)c(C[C@H](CBr)c2ccccc2Br)c1Br 118665017 ZGQSEKYNXKCXMR-SNVBAGLBSA-N 451.000 4.975 50 10 JJGE CCOc1ccc([C@H](Cl)c2cnn(C)c2I)cc1Br 379210365 MSJMANILONLGEH-LBPRGKRZSA-N 455.521 4.514 50 10 JJGE CC(C)(C)COC(=O)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084485872 OGIVDDFHSLEHCX-UHFFFAOYSA-N 462.319 4.611 50 10 JJGE COc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1Cl)CCC2 1772744548 WOTKRMZJIRPBPV-UHFFFAOYSA-N 451.910 4.973 50 10 JJGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772745226 UIHPYCKFHGJLOO-UHFFFAOYSA-N 456.477 4.998 50 10 JJGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)n1 1772745425 ZDFZGGWIWRGKNA-UHFFFAOYSA-N 481.350 4.777 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865687727 YWHWUHTWUBNRSW-QHCPKHFHSA-N 450.498 4.780 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccccn2)C(C#N)=C(N)O3)cc1 1865700331 PZXUERZRTSHVDO-QFIPXVFZSA-N 469.932 4.874 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(C(F)(F)F)cc1 1865711269 UQANSKLPJPQRJO-CQSZACIVSA-N 451.330 4.523 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc(OC)c1O 1865715229 ZTCQTRMDVRVGBX-QHCPKHFHSA-N 480.524 4.539 50 10 JJGE COc1ccc(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1OC 1865759055 FTKSQMGPYSRTOV-VZUCSPMQSA-N 486.355 4.855 50 10 JJGE Cc1[nH]nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)c1-c1ccccc1 1867276624 IHJSMDAVALLTLY-QHCPKHFHSA-N 497.580 4.644 50 10 JJGE CC[C@H](Cl)CN(Cc1ccccc1)C(=O)c1c(Br)c(Br)nn1C 1901043508 UTIQEQATCIQMRN-LBPRGKRZSA-N 463.601 4.605 50 10 JJGE COc1ccc(CCC[C@H](Br)CN2C(=O)c3ccccc3C2=O)c(Br)c1 1901209485 SAJMOUDMLRNARB-AWEZNQCLSA-N 481.184 4.840 50 10 JJGE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1C[C@H](O)CBr 1952388902 GJUIWYKXGPOKFS-JTQLQIEISA-N 488.014 4.857 50 10 JJGE C[C@@H]1CCCN(C(=O)c2csc(Br)c2Br)[C@H]1CBr 2032956194 MXCUQIXFIWGYML-APPZFPTMSA-N 460.029 4.909 50 10 JJGE CN(CCOCc1ccccc1)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2059288656 JZHXYNBEJFXRLG-UHFFFAOYSA-N 467.212 4.726 50 10 JJGE BrC[C@@H]1C[C@H]2CCC[C@H]2N1c1ncc(I)cc1Br 2069537028 CCCFGRSNRIIWSL-UBHAPETDSA-N 485.989 4.591 50 10 JJGE CC(C)c1ncccc1-n1nc(CBr)c(I)c1C(F)(F)F 2078932704 HYIXJIBUOIUUJK-UHFFFAOYSA-N 474.062 4.909 50 10 JJGE O=C(NC[C@H]1CCCC[C@H]1Br)c1cccc(Br)c1Br 2092339669 GYWWTLNBRHWVCY-MWLCHTKSSA-N 454.000 4.895 50 10 JJGE ClC[C@]12CCC[C@H]1N(c1ncc(I)cc1Br)CCC2 2133375329 QBCIVXFGIROXNK-TZMCWYRMSA-N 455.565 4.827 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@H](Br)[C@H]2CC[C@@H]21 2133723834 SKBJPZLVRUYURE-ICCXJUOJSA-N 451.984 4.600 50 10 JJGE CC1(C)[C@@H](Br)CC[C@H]1NC(=O)c1ccc(Br)cc1Br 2142133262 GHAQUZBWPCTXRD-NWDGAFQWSA-N 454.000 4.894 50 10 JJGE Brc1ccc(Br)c(CN2CCC3(CC2)C[C@@H](Br)CO3)c1 2175142199 NTUJMXLINHLGGH-CYBMUJFWSA-N 468.027 4.730 50 10 JJGE O=C(NC[C@@]1(CBr)C[C@@H]1C(F)(F)F)c1cc(Br)c(Cl)s1 2192562367 IOASPOUYEQZLJN-XVKPBYJWSA-N 455.521 4.857 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@@](C)(=O)=NC[C@@H](CBr)c2ccccc2)C1 2192628665 ZBRBKYQCCQHBRR-VEWKTGPQSA-N 459.450 4.566 50 10 JJGE CC1(CO[C@](C)(CI)CNC(=O)OC(C)(C)C)CC2(CC(F)(F)C2)C1 2222927535 UKGMOWRUXPVCIY-MRXNPFEDSA-N 473.342 4.937 50 10 JJGE C[C@@H]1[C@H](Br)CCCN1C(=O)Cc1cc(Br)cc(Br)c1 2277936033 KHYBDCUOUHJRLR-NOZJJQNGSA-N 454.000 4.529 50 10 JJGE CCOc1cc(C=C(C#N)c2nc3cc(Br)cnc3[nH]2)cc(Br)c1O 2297533267 CAYQRXIBAJNFDP-UHFFFAOYSA-N 464.117 4.651 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 2314618749 SUJDDVZVHSDZKM-UHFFFAOYSA-N 474.314 4.897 50 10 JJGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1cccc(Br)c1Br 2330904170 WDJAKVHOIUDLHS-OSTYVCCYSA-N 451.984 4.503 50 10 JJGE COCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(C#N)cc2C(=O)c2cccc(C)c2)cc1 2331122798 LTHIAHMZJTTYKJ-UHFFFAOYSA-N 465.509 4.669 50 10 JJGE CC(C)(C)[C@](C)(CBr)CN1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 2380163131 CSAKXAUDGZTZPX-UHIISALHSA-N 455.281 4.508 50 10 JJGE O=C(N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1cc2ccccc2cc1O 13069162 HOGZCBAPDYYBTN-COOPMVRXSA-N 455.901 4.880 50 10 JJGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 14643426 RTSGCIUIQICPPY-IRXDYDNUSA-N 485.378 4.601 50 10 JJGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1 38682167 SENFFMXMVRKNIX-XMMPIXPASA-N 489.509 4.519 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1 38685686 PIXJFIVYCMMTRP-AREMUKBSSA-N 456.498 4.596 50 10 JJGE CC[C@@H](CCBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 134626451 UJYHEMRUQGMXPY-QMMMGPOBSA-N 454.011 4.598 50 10 JJGE CC(=NNC(=O)c1ccc(Cn2nc(C)c(Cl)c2C)o1)c1ccc(NC(=O)c2cccnc2)cc1 252606873 GWTHDGCLJCPHSQ-UHFFFAOYSA-N 490.951 4.596 50 10 JJGE CCOc1ccc(C=NNC(=O)CCCCCCCC(=O)NN=Cc2ccc(OCC)cc2)cc1 252624299 PLCBEZYUWIVWJP-UHFFFAOYSA-N 480.609 4.815 50 10 JJGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C)s3)nnc2-c2ccccc2)cc1 254509097 LUUQJWVSQPIHSF-UHFFFAOYSA-N 463.588 4.555 50 10 JJGE Nc1ccc(Br)cc1[C@@H]1CN(Cc2ccccc2)C[C@H]1CI 382701186 CQNCTFICFWFNPS-RHSMWYFYSA-N 471.180 4.682 50 10 JJGE COc1cc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)ccc1F 382705568 SJLBLMHKRBNZMB-DLBZAZTESA-N 469.294 4.622 50 10 JJGE Cn1ncc([C@@H](Br)c2c(Br)cc(F)c(F)c2F)c1Br 398774432 JYMMWSOXDXRDCG-MRVPVSSYSA-N 462.889 4.847 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CCC(F)(F)[C@@H](CBr)C1 403996975 UBHWYJUYURLJQO-QMMMGPOBSA-N 475.953 4.704 50 10 JJGE Cc1cccc(C(=O)NC2(CCBr)CCCCC2)c1I 687327034 GVKLAMNWMNDUBX-UHFFFAOYSA-N 450.158 4.817 50 10 JJGE CN(C[C@H]1CCC[C@H]1Br)C(=O)c1scc(Br)c1Br 689345804 YAPIGWDOPWOVKK-HTQZYQBOSA-N 460.029 4.909 50 10 JJGE C[C@H](CBr)[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1I 696708868 DTKKZMBIILABDR-YGRLFVJLSA-N 470.576 4.970 50 10 JJGE Fc1cc2c(cc1I)nc(CCl)n2C[C@H]1CCN1Cc1ccccc1 716240972 XASDKGPGMZMTJM-CQSZACIVSA-N 469.729 4.793 50 10 JJGE CCOc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)c2C)cc1 725418474 FMZWQRSIVCZMNU-UHFFFAOYSA-N 473.360 4.888 50 10 JJGE C[C@@H](CCc1ccc2c(c1)OCO2)OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 920168722 BBCWNMKFEAMQCU-OMNSNBSWSA-N 468.513 4.664 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 1084196176 RPZWYVSKDOLWFJ-DEOSSOPVSA-N 480.536 4.776 50 10 JJGE COc1ccc(C(=O)NN=Cc2ccc(Sc3nc4ccccc4c(=O)n3-c3ccccc3)o2)cc1 1084220837 JPAVVWHHQXZADT-UHFFFAOYSA-N 496.548 4.902 50 10 JJGE COc1cccc(C(CSc2nc3ccccc3o2)=NNC(=O)c2cccc([N+](=O)[O-])c2)c1 1084410942 OYMDMMFEBUACOH-UHFFFAOYSA-N 462.487 4.671 50 10 JJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc1OCC 1865688191 MVGJVEJEFZJMMV-XMMPIXPASA-N 462.525 4.785 50 10 JJGE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701762 DUHVOAKWRUUSSB-IBGZPJMESA-N 453.315 4.614 50 10 JJGE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704856 GEUSKKPBLOYAGA-RUZDIDTESA-N 462.509 4.677 50 10 JJGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)c1 1865706471 XNYFBVDYNGHGRK-SFHVURJKSA-N 469.423 4.693 50 10 JJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865707681 CXPHWZHVFGKQHU-HXUWFJFHSA-N 471.344 4.977 50 10 JJGE CCOc1cc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCc1ccc(C)cc1 1873793595 RLIAIDDCRZYDDS-YGYFLSRZSA-N 481.593 4.822 50 10 JJGE CCCCCCOc1ccc(/C=N/NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)cc1OC 1873794887 HKTJUGUNTIFLFT-HLNOYYKJSA-N 481.659 4.751 50 10 JJGE CC[C@@H](Br)CN(C)Cc1ccc(I)c(Br)c1 1904343969 OLBGSGAFGMOQOW-SNVBAGLBSA-N 460.979 4.659 50 10 JJGE CC1(C)C[C@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(CCl)c(Br)c2)CO1 1915480644 KMKOFCVEGCECNJ-KRWDZBQOSA-N 472.832 4.946 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@@H](Br)CC2(CC2)C1 1926035260 YIMJGCYNNXGSGV-ZETCQYMHSA-N 458.013 4.663 50 10 JJGE Cc1c(F)cccc1Cn1nc(CBr)c(I)c1C(F)(F)F 2079245393 DAOXZNLWDAQFJL-UHFFFAOYSA-N 477.037 4.897 50 10 JJGE O=C(N[C@@H]1CCC[C@H](CBr)C1)c1cccc(Br)c1Br 2092340066 LXIJIRCRGRLHQQ-VHSXEESVSA-N 454.000 4.895 50 10 JJGE O=C(c1cccc(Br)c1Br)N1[C@H]2CC[C@H]1[C@@H](CBr)C2 2100992022 QDESYNMUFGDYQQ-PTRXPTGYSA-N 451.984 4.600 50 10 JJGE Cc1nsc(CC(CBr)(CBr)c2ccccc2Br)n1 2102675362 UISRUETWMCOVFU-UHFFFAOYSA-N 469.040 4.879 50 10 JJGE C[C@@H](Cl)CCCc1cn(-c2cc(I)ccc2Br)nn1 2132752933 AEJHWVDHRAEYSN-SECBINFHSA-N 454.537 4.584 50 10 JJGE CC[C@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@@H]1CBr 2140782597 CLVZTAWYQBQJMM-UWVGGRQHSA-N 454.000 4.705 50 10 JJGE CC[C@H](Br)[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2170615490 RJTFTFOGPHUQJB-WPRPVWTQSA-N 465.660 4.881 50 10 JJGE C[C@@H](CO[C@@](C)(CI)c1ccccc1Br)N1CCCC1 2186729085 NOCVBGNCDTVSGC-BBRMVZONSA-N 452.174 4.600 50 10 JJGE CCN(C(=O)c1ccc(Cl)c(I)c1)[C@H]1CCC[C@@H]1Br 2268342460 GHVLHTRQYDNRIZ-GWCFXTLKSA-N 456.549 4.723 50 10 JJGE CC(C)(C)N(CCBr)C(=O)Cc1cc(Br)cc(Br)c1 2277934433 IRHWTVARAICXOZ-UHFFFAOYSA-N 456.016 4.776 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@H](Br)CC(F)(F)F 2295312073 SSACBTGIOVZIBT-SNVBAGLBSA-N 481.932 4.586 50 10 JJGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cn(CC(=O)NCc3ccco3)c3ccccc23)c1 2296659697 NGBVGMMLMUIRFC-UHFFFAOYSA-N 452.514 4.713 50 10 JJGE COc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc1 2296720282 ITKTUJQAZUFERU-UHFFFAOYSA-N 466.497 4.658 50 10 JJGE CN(C)S(=O)(=O)c1ccc(C(=O)Oc2cccc(C=C(C#N)c3cccc(Cl)c3)c2)cc1 2320506761 QWVPEQHABNIQJX-UHFFFAOYSA-N 466.946 4.874 50 10 JJGE CC(C)[C@@H]1C[C@H](Br)CN1C(=O)c1csc(Br)c1Br 2321384802 RSEIGAYVDZQJLO-CBAPKCEASA-N 460.029 4.907 50 10 JJGE CC(C)(CI)CN1C[C@H](CNC(=O)OC(C)(C)C)C[C@H](C(C)(C)C)C1 2326669258 YKKJZDJWHCNGGK-HOTGVXAUSA-N 466.448 4.957 50 10 JJGE CC1(C)C[C@H](Br)CCN(C(=O)c2ccc(Cl)cc2I)C1 2365593419 UNQATDJLIZVNIB-SNVBAGLBSA-N 470.576 4.970 50 10 JJGE COc1ccc(Cn2c(C)cc3c(c2=O)[C@@H](c2cccc(Cl)c2Cl)C(C#N)=C(N)O3)cc1 12173135 MULUBMMCXRZLIM-FQEVSTJZSA-N 468.340 4.739 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccccc2C(C)(C)C)c(Br)c1 14666835 KRZCBVGAIMQECS-UHFFFAOYSA-N 491.426 4.649 50 10 JJGE CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccc(O)c(OC)c1 20572876 JEJPPIQRBWXKQM-VQXFCIMOSA-N 457.324 4.624 50 10 JJGE CCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OCC 38608531 MUHUYDHACNJZDF-CIAFOILYSA-N 488.540 4.785 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)ccc2OC)cc1 38659824 TYONKQUSGHHOBS-SANMLTNESA-N 486.524 4.930 50 10 JJGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(OC)ccc1OC 38659961 NKYRKANETBVAIE-VWLOTQADSA-N 472.497 4.540 50 10 JJGE N#Cc1ccccc1COc1ccc(Br)cc1/C=N\NC(=O)CC[C@@H](O)c1ccccc1 58892508 KUPSRWHTGRHCDI-GXZQEHIMSA-N 492.373 4.864 50 10 JJGE CC1=C(C(=O)N/N=C/c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 59384947 QGDGUETZQVWNFK-WFBSDAATSA-N 453.782 4.590 50 10 JJGE CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OC 59474948 DMIJFCZIJTYHPG-CXUHLZMHSA-N 476.314 4.861 50 10 JJGE COc1ccc(/C(C)=N/NC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c(OC)c1 97729958 QFYBZBUZMCUERH-JFLMPSFJSA-N 451.910 4.764 50 10 JJGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)cc1 100154395 YSYGABALIHPMEJ-UHFFFAOYSA-N 493.629 4.904 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C=C\c1ccc(F)cc1 206396485 DZHKBXNQLKNAHZ-BORWVLFKSA-N 456.473 4.676 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C(=C/c1ccccc1)c1ccccc1 207188989 UUOJOPULWQMWIJ-BCRMPINCSA-N 494.547 4.607 50 10 JJGE CCc1ccc([C@@H](C)NC(=O)/C(C#N)=C\Nc2ccc(I)cc2C)cc1 217195562 RGGVWLWSXRJECX-QLENYVDCSA-N 459.331 4.859 50 10 JJGE COc1ccc(OC)c([C@@H](Br)c2ccc(F)cc2I)c1 234962575 LKVKOKXMKOWZCK-HNNXBMFYSA-N 451.073 4.932 50 10 JJGE CCO[C@@H]1[C@H](Br)C[C@H]1Oc1c(I)cc(Cl)c2cccnc12 252859483 NJVGTZKDLUBELG-GAJTVXKRSA-N 482.543 4.813 50 10 JJGE COc1cc(C=O)ccc1OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 255213764 LYHCZSSCTHSXQN-UHFFFAOYSA-N 456.420 4.973 50 10 JJGE BrCC(CBr)(Cc1cnns1)c1cccc(Br)c1 310801968 XLJZBDSFNGXSEX-UHFFFAOYSA-N 455.013 4.571 50 10 JJGE O=S(=O)(NC[C@H]1CCC[C@@H](CBr)C1)c1cc(Cl)c(Br)s1 312730191 VXRVWYJWBNDXFG-BDAKNGLRSA-N 465.660 4.644 50 10 JJGE ClCCc1nc2cccnc2n1-c1ccc(I)cc1Br 380317507 YCUYQBMYTXCNAO-UHFFFAOYSA-N 462.516 4.569 50 10 JJGE C[C@H]1CCN(S(=O)(=O)c2cc(CCl)sc2Br)CCN1Cc1ccccc1 382648676 SOGNFYMJZUBEMT-AWEZNQCLSA-N 477.877 4.535 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2cc(Br)ccc2O)C1 382711597 HKWKEKMUYPZSAG-WMLDXEAASA-N 469.173 4.902 50 10 JJGE CNc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1 382723939 PAHSBERNBMRVTE-MJGOQNOKSA-N 450.320 4.516 50 10 JJGE BrCc1cc(Br)c(OCO[C@H]2CCCOC2)c(Br)c1 394020204 BHJBPOBYNIVBGU-JTQLQIEISA-N 458.972 4.638 50 10 JJGE CCOc1cc(C=NNC(=O)[C@@H](C)Sc2ncccn2)ccc1OCc1cccc(Cl)c1 1084454829 KXXMBTYCVCTMFX-MRXNPFEDSA-N 470.982 4.739 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)NN=C2C(=O)N(Cc3ccccc3F)c3ccccc32)cc1 1084536929 LHQSUTYVSTYDDQ-UHFFFAOYSA-N 459.521 4.569 50 10 JJGE C=CCCc1ccccc1NC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 1476482841 HFEBERWOECQGQP-AREMUKBSSA-N 454.574 4.585 50 10 JJGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5cc(C)on5)c(C)c43)coc2c1 1772752059 UMYYKGYKSITLEY-UHFFFAOYSA-N 474.517 4.899 50 10 JJGE COc1ccc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1[N+](=O)[O-] 1772753860 AOYKBPPUZOBFNZ-UHFFFAOYSA-N 484.306 4.562 50 10 JJGE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705382 UKVYDXXSUWFVEZ-RUZDIDTESA-N 480.499 4.816 50 10 JJGE COc1ccc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc1OCc1ccc(Cl)c(Cl)c1 1873794645 SKKMNTNABJFLHS-IETDBYTCSA-N 496.391 4.944 50 10 JJGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1Br 1914347650 GMKZYDOFBSRBHH-LBPRGKRZSA-N 465.182 4.563 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CCCC[C@H](CBr)C1 2094095160 JIZZSQCRHZFGEG-SNVBAGLBSA-N 454.000 4.849 50 10 JJGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1cc(Br)ccc1Br 2104409723 AAPSDXFNXAUYTE-PTYMLPSESA-N 451.984 4.503 50 10 JJGE CC(C)(C)OC(=O)N1CCC12CCS(=O)(=NC[C@@H](CBr)C(C)(C)C)CC2 2106781401 HJYNMTJQATVVBR-GTNZPDLFSA-N 451.471 4.685 50 10 JJGE Cc1csc(CBr)c1S(=O)(=O)N(Cc1ccccc1)[C@H]1COC(C)(C)C1 2123236009 DNTSFMMFETUJKB-MRXNPFEDSA-N 458.443 4.710 50 10 JJGE CC(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1cc(Br)ccc1Br 2126097417 FSNABYKPJHRVAJ-QWHCGFSZSA-N 454.000 4.846 50 10 JJGE O=S1(=O)C[C@@H]2CCC[C@]2([C@@H](Br)c2sc(Br)cc2Br)C1 2137238260 NDEWZFXGEYPFJP-QILRFPOHSA-N 493.080 4.924 50 10 JJGE C[C@@H](Cl)[C@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2142288473 KUIYFJSZCULTAL-NOZJJQNGSA-N 456.549 4.676 50 10 JJGE CC(C)(CBr)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2155840633 PHRGYDJACJWZEA-VIFPVBQESA-N 465.660 4.738 50 10 JJGE CC[C@@H](Br)[C@@H]1CCCCN1C(=O)c1cc(I)ccc1F 2170618163 QBSANBLSVGBQRB-OCCSQVGLSA-N 454.121 4.599 50 10 JJGE ClCCc1nc2ncccc2n1-c1cc(Br)ccc1I 2175976632 NUWPSIFFYHVFPZ-UHFFFAOYSA-N 462.516 4.569 50 10 JJGE Cc1c(Br)cccc1CO[C@@](C)(CBr)CNC(=O)OC(C)(C)C 2243594428 RSYXXLOYZKUBHA-KRWDZBQOSA-N 451.199 4.952 50 10 JJGE COc1cc(C=CC(=O)Cl)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2293941008 UGYJTHBVBRSKRN-UHFFFAOYSA-N 473.650 4.566 50 10 JJGE CC1(C)CC(CBr)(NC(=O)Cc2cc(Br)cc(Br)c2)C1 2295309804 OAHZVLCQCLDQKU-UHFFFAOYSA-N 468.027 4.824 50 10 JJGE COc1cc(C=C(C#N)C(=O)Nc2nccs2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 2297382324 BUDOYTUNTNSAND-UHFFFAOYSA-N 476.558 4.640 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CC2CCN(CCCCI)CC2)CC1 2314373265 ZOPYJQGWDUOOSO-UHFFFAOYSA-N 464.432 4.951 50 10 JJGE CCCCOc1ccc(C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1OCC 2314618231 JXBYAHSDRCRNFY-UHFFFAOYSA-N 454.567 4.672 50 10 JJGE N#CC(C(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)=C1Nc2ccccc2S1 2320729537 DBMUTSRPHBYENP-UHFFFAOYSA-N 460.515 4.786 50 10 JJGE Brc1ccccc1[C@@H](CI)O[C@@H]1CCN2CCC[C@@H]2C1 2357583766 SDZCWNJRGAOEAW-XJKCOSOUSA-N 450.158 4.569 50 10 JJGE COc1ccc(CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Br)c(C(F)(F)F)c1 2364638240 QSMXVIKLBYXCRY-CABCVRRESA-N 454.283 4.613 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(OC)cc4)c32)ccc1OC(=O)c1ccco1 8569247 OFBOXVQRFYABAX-QFIPXVFZSA-N 498.495 4.514 50 10 JJGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 39858646 TUVPYVWRQHNUKW-SILNSSARSA-N 450.498 4.903 50 10 JJGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812039 QCCGSVWCELMKHH-ZXVVBBHZSA-N 451.910 4.978 50 10 JJGE CC1=C(C(=O)N/N=C/c2ccc(Cl)cc2Cl)[C@H](c2ccc(Br)cc2)NC(=S)N1 59384235 AYVJFGHCAZYPNL-OYCFWJGQSA-N 498.233 4.699 50 10 JJGE CC(=NNC(=O)[C@H](O)c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 254394177 GHDAVXLKMHMGEI-OAQYLSRUSA-N 456.329 4.820 50 10 JJGE COc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)c1O 254522243 DTWLLWGIXRSUNA-UHFFFAOYSA-N 479.606 4.715 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc4ccccc4c3)cc2)cc1 254747172 VKHLNJIWEOXMPF-UHFFFAOYSA-N 468.509 4.987 50 10 JJGE CC(C)C(=O)[C@@H](Br)Cc1ccc(I)cc1Br 300915541 UMXNSLHUHJWYAL-NSHDSACASA-N 459.947 4.585 50 10 JJGE Cc1cnc2c(c1)nc(CCl)n2-c1ccc(Br)c(I)c1 380496890 ZCGUHJISWNGVEV-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE Nc1ccc(Br)cc1[C@H]1CN(Cc2ccccc2)C[C@H]1CI 382701184 CQNCTFICFWFNPS-PBHICJAKSA-N 471.180 4.682 50 10 JJGE FC(F)(F)Oc1ccc(I)c(CBr)c1Br 575694592 IXQGPNPKRXJHJL-UHFFFAOYSA-N 459.825 4.847 50 10 JJGE CCC[C@H](CCBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 716955644 QNRMYHCPAFYEKR-SECBINFHSA-N 468.038 4.988 50 10 JJGE C[C@@H](NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)c1cccc(OC(F)F)c1 918575687 HWBUJDDXMUXZNM-UOBPLZBXSA-N 461.472 4.850 50 10 JJGE Cc1cc(C=NNC(=O)c2cccc(Br)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1084050625 IVRKNYJXWAPNNI-UHFFFAOYSA-N 474.742 4.972 50 10 JJGE CC(=O)C1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)CC1 1637551299 AYZKGBUIKBPIIP-DEDYPNTBSA-N 454.368 4.591 50 10 JJGE CCOC(=O)c1c(NC(=O)NN=Cc2cccc(Br)c2)sc2c1CCCC2 1772752992 UJJKQPAADXQSRT-UHFFFAOYSA-N 450.358 4.722 50 10 JJGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)cc1OC 1865691427 RUFMWHCNJNQVTQ-LJQANCHMSA-N 475.387 4.626 50 10 JJGE N#C/C(=C(/O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc3ccccc3c2)cs1 1872745556 SQUVZNKYCZYBGH-UZYVYHOESA-N 482.477 4.960 50 10 JJGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(F)c(F)c4)cs3)cc2C1=O 1872751815 VGSOLXYXIKIXMQ-FXBPSFAMSA-N 481.480 4.671 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccccc3[N+](=O)[O-])n2)c(OC)c1OC 1872759180 GQQXOKXICYZVGK-SDXDJHTJSA-N 453.476 4.779 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@@]2(CCC[C@@H]2Br)C1 1918939302 NLELADGOJJFSON-ZFWWWQNUSA-N 468.560 4.724 50 10 JJGE CN(C[C@H]1C[C@H]1Br)C(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2020199320 CPOPBZHQVCNLMQ-BXUZGUMPSA-N 462.182 4.652 50 10 JJGE FC1(F)C[C@@H](CBr)N(Cc2cc(Cl)ccc2I)C1 2041121598 KXZIIDWSEFWSMM-JTQLQIEISA-N 450.492 4.549 50 10 JJGE C[C@@H]1CC[C@@H](CBr)N(C(=O)c2cc(Br)sc2Br)C1 2048050531 BEZVHZDWDOUFSB-SFYZADRCSA-N 460.029 4.909 50 10 JJGE C[C@@H]1CC[C@H](CBr)N(C(=O)c2csc(Br)c2Br)C1 2048055137 CZCSQTNVCSQNLT-HTQZYQBOSA-N 460.029 4.909 50 10 JJGE O=C(CBr)c1cc(C(F)(F)F)c(I)cc1OC(F)(F)F 2055118618 SJSACUKKCAYWTN-UHFFFAOYSA-N 476.936 4.786 50 10 JJGE CCC[C@@H](CBr)CNC(=O)c1cc(Br)ccc1I 2057119025 CHBPETBSWCQWLB-VIFPVBQESA-N 488.989 4.595 50 10 JJGE Brc1cc(I)cnc1N1CC[C@H]2CC[C@H](Br)[C@H]1C2 2069532410 VBLQGOBUXHEBRO-UBHAPETDSA-N 485.989 4.591 50 10 JJGE COC[C@]12C[C@]([C@@H](Br)c3cc(Br)sc3Br)(CO1)C2 2085223330 YDMLQATXJJRLRD-DLOVCJGASA-N 461.013 4.905 50 10 JJGE CC(C)C[C@H](CBr)NC(=O)c1ccc(Br)cc1I 2086139591 QNRISECTIMZSLO-SNVBAGLBSA-N 488.989 4.593 50 10 JJGE O=C(NC[C@@H](Br)CC(F)(F)F)c1cc(Br)cc(Br)c1 2119065642 GHISRMUOSDXXRK-VIFPVBQESA-N 467.905 4.657 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2164664276 QNXNXWPIODKXRN-CHIMOYNISA-N 468.560 4.723 50 10 JJGE COc1ccc(OC)c([C@H](Br)c2cc(I)ccc2F)c1 2169666811 BOXYQWBFGSQMRC-OAHLLOKOSA-N 451.073 4.932 50 10 JJGE C[C@H]1C[C@H](CBr)CCN1c1ncc(C(F)(F)F)cc1I 2172486431 RTGCNZBNYBYDQG-DTWKUNHWSA-N 463.079 4.705 50 10 JJGE CC1(C)CN(S(=O)(=O)c2cc(CBr)ccc2Cl)CCN1Cc1ccccc1 2179792110 BFNIVVKAADMSBE-UHFFFAOYSA-N 471.848 4.520 50 10 JJGE Brc1cccc([C@H](CI)OC[C@@H]2C[C@]23CCCOC3)c1 2198376500 HKHJKWLBMTUWBM-BPUTZDHNSA-N 451.142 4.759 50 10 JJGE Cc1ccc(C(=O)N[C@@H](C)CCCCCI)cc1I 2224626434 ISPWDJIIUAGPMZ-LBPRGKRZSA-N 485.147 4.713 50 10 JJGE Cc1cc(Br)c([C@H](Br)[C@@H]2CO[C@H]3COC[C@@H]23)c(C)c1Br 2235598915 JQAKTMZCAFISEU-NPZRNVLXSA-N 469.011 4.926 50 10 JJGE CS(=O)(=O)c1cscc1[C@H](Br)c1sc(Cl)cc1I 2316601705 WXQZWMADWJNKLG-VIFPVBQESA-N 497.626 4.955 50 10 JJGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(OC(=O)c2cccs2)cc1 2323197267 VIIRBLGSUGTCRD-UHFFFAOYSA-N 453.570 4.819 50 10 JJGE BrC[C@@H](Cc1ncc(I)cn1)c1cccc(Br)c1 2328054365 QNCWHGJCPGGCKU-SNVBAGLBSA-N 481.957 4.565 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@H]2C[C@]1(CBr)C2 2336569729 MHROCYALTJOUAP-DEZZCRIOSA-N 451.984 4.601 50 10 JJGE C[C@@]1(CBr)CC(F)(F)CN1Cc1ccc(Cl)cc1I 2341002900 CUFOJXZVMDQDOV-LBPRGKRZSA-N 464.519 4.939 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2365593061 RQGJYZBGBBAZGW-ZKYQVNSYSA-N 468.560 4.865 50 10 JJGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CSCc2ccc(Cl)cc2)cc1 13144929 ZQGPUVUFHXILJF-UHFFFAOYSA-N 498.004 4.750 50 10 JJGE CCOc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 14042068 XMBJHIOGPNWHGR-UHFFFAOYSA-N 459.546 4.710 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=O)Cn2ccc3ccccc32)cc1Br 14776272 AZCSSRPWOGAUAY-UHFFFAOYSA-N 472.383 4.824 50 10 JJGE Cc1ccccc1[C@@H]1C(C#N)=C(N)OC2=C1S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12 20558479 ASPMTNIJJQXHQL-HSZRJFAPSA-N 473.529 4.661 50 10 JJGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)c1 38602938 BNKYPYRZAIMVMJ-HZHRSRAPSA-N 452.514 4.550 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)c1 38650132 LCDNYQDJSUJMKL-DEOSSOPVSA-N 462.889 4.551 50 10 JJGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)c1 38684906 KYMQLJNLKXJXFH-AREMUKBSSA-N 470.525 4.905 50 10 JJGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)Nc1cccc2c(O)cccc12 217068586 MTRQUYBFRSZURE-OWBHPGMISA-N 469.282 4.917 50 10 JJGE CC1(C)OB(c2cccc(O[Si](C)(C)C(C)(C)C)c2I)OC1(C)C 383710221 IGPZKHUFKCLSPI-UHFFFAOYSA-N 460.237 4.974 50 10 JJGE O=C(CBr)c1cc(Br)cc(OC(F)(F)F)c1I 575693790 AMGYNMQOMPHJRY-UHFFFAOYSA-N 487.835 4.530 50 10 JJGE CC1(C)[C@@]2(/C=C/[C@@]34CC[C@@](C(=O)O)([C@@H]3Br)C4(C)C)CC[C@@]1(C(=O)O)[C@@H]2Br 675029668 DZCAUHVDKAGJQC-HWXBCMIXSA-N 490.232 4.852 50 10 JJGE O=C(NC[C@H]1CCC[C@@H](Br)C1)c1scc(Br)c1Br 705405231 HRIOHYMZWNRWDX-JGVFFNPUSA-N 460.029 4.957 50 10 JJGE C[C@H](Cl)[C@@H]1CCCN(C(=O)c2ccc(I)c(Br)c2)C1 721505435 AZMZLAJZVHOIGO-GXSJLCMTSA-N 456.549 4.533 50 10 JJGE CCOC(=O)c1nc(COC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)cs1 918956674 BVHCYIBZZGDOIG-YVLHZVERSA-N 453.495 4.517 50 10 JJGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1c(O)ccc2ccccc12 1083980805 SUYSYCZKMXPWST-UHFFFAOYSA-N 492.167 4.908 50 10 JJGE CCCOC(=O)c1ccc(OCC(=O)NN=Cc2ccc3c(c2)c2ccccc2n3CC)cc1 1084046401 DCQSAPKXUWQFAS-UHFFFAOYSA-N 457.530 4.910 50 10 JJGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(OCc2ccccc2)cc1 1084047127 SMMPIKFYJNUQTD-UHFFFAOYSA-N 461.521 4.884 50 10 JJGE Cc1cc(OCC(=O)NN=Cc2cccc(OCc3ccccc3)c2)ccc1Br 1084397709 CPXXERVOJGPJDV-UHFFFAOYSA-N 453.336 4.866 50 10 JJGE O=C(NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1ccc([N+](=O)[O-])cc1 1084589261 TVURUFVVUHVAPN-UHFFFAOYSA-N 469.284 4.583 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccccc2OC(F)F)C1 1614628136 MOBXHKPWAXUJJZ-DGCLKSJQSA-N 453.267 4.674 50 10 JJGE Cc1c([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cccc1[N+](=O)[O-] 1614628805 FBBDDWZOPBMIFE-AEFFLSMTSA-N 480.302 4.690 50 10 JJGE CC(=O)c1ccc(OCCCC(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)cc1 1623772630 JGSNYTQUVZVXGR-UHFFFAOYSA-N 458.440 4.667 50 10 JJGE C=C(C)Cn1c(SCC(=O)NNc2ccnc3cc(Cl)ccc23)nnc1-c1ccco1 1648407005 CNXZEEWHPGSXEF-UHFFFAOYSA-N 454.943 4.551 50 10 JJGE Cn1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)c2ccccc21 1865699085 KIVSEJNJMMQVDU-LJQANCHMSA-N 467.426 4.799 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1ccccc1C(=O)O 1865704199 PURSARWMHSNZBO-LJQANCHMSA-N 476.414 4.961 50 10 JJGE COc1cccc([C@@H](C)CC(=O)N[C@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)c1 1867111075 MOSZRSVAIOHPBX-HRAATJIYSA-N 457.621 4.639 50 10 JJGE Cc1scc(C(=O)N(C)C[C@H](Br)COCc2ccccc2)c1Br 1902870580 FQXIHIGFUCRXEU-AWEZNQCLSA-N 461.219 4.871 50 10 JJGE CC(C)[C@@H](Br)CCNC(=O)c1cc(I)ccc1Br 2029917969 XNQBQOUZEJHXBR-NSHDSACASA-N 488.989 4.593 50 10 JJGE C[C@@H]1C[C@H](Br)CCN(C(=O)c2cc(Br)sc2Br)C1 2041568353 XHBXDFJCQVLYPV-HTQZYQBOSA-N 460.029 4.909 50 10 JJGE C[C@@H]1CN(C(=O)c2c(Br)cccc2Br)CC[C@@H]1CBr 2109034708 USUVKORLAVIYAQ-NXEZZACHSA-N 454.000 4.705 50 10 JJGE O=C(N[C@@H]1CCCC[C@H]1CCCl)c1cc(I)ccc1Br 2146737479 OPBQMAMVETYHSH-IINYFYTJSA-N 470.576 4.971 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](Cl)C(F)(F)CC1 2150036150 SVUXROTVNCWKQK-NSHDSACASA-N 478.502 4.532 50 10 JJGE CC(C)(C)OC(=O)NCC[S@@](=O)(=NC[C@@H](CBr)CC1CC1)c1ccccc1 2169173799 VPZFIDUWONUSHT-CRYYWNKWSA-N 459.450 4.849 50 10 JJGE Fc1cc(Br)cc(N2CC[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1CBr 2185516297 VFZWVLJGBZGSDL-NHCUHLMSSA-N 498.234 4.963 50 10 JJGE C[C@@]1(CNC(=O)c2scc(Br)c2Br)CCC[C@@H]1Br 2258792535 ASWGWXUYCZLCIC-UFBFGSQYSA-N 460.029 4.957 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCCc2ccc(F)cc2)C1 2263402163 MXUZIBXANJNCIR-LJQANCHMSA-N 463.331 4.590 50 10 JJGE C[C@H](NC(=O)c1ccc(Cl)c(I)c1)[C@@H]1CCC[C@@H]1Br 2268351147 FKRJITRRTULDOC-LSJOCFKGSA-N 456.549 4.627 50 10 JJGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ncc(Br)cc1Cl 2303541205 VSLIPVGNIJMOMB-CQSZACIVSA-N 476.596 4.598 50 10 JJGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1Br 2314579669 ZQMUNBNEKOLKGS-CQSZACIVSA-N 481.306 4.623 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2ccccc2Br)c(OC)c1 2314776854 QRZHCIRYRCZKDV-UHFFFAOYSA-N 457.324 4.500 50 10 JJGE N#CC(=CN1CCCc2ccccc21)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324599166 JBSJZXKQFFDOBA-UHFFFAOYSA-N 462.597 4.780 50 10 JJGE FC(F)(F)[C@H]1[C@H](Br)CCCN1c1ncc(Br)cc1Br 2344085005 RYQCQLIMJLWDQL-VXNVDRBHSA-N 466.921 4.901 50 10 JJGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@H]1CN(CC1(CBr)CCCC1)C2 2370174016 DDRWZXPSHWVZEL-KXBFYZLASA-N 451.396 4.956 50 10 JJGE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(C[C@]1(CBr)CC1(F)F)CC2 2379985942 MACZBOMANNFXBQ-HNAYVOBHSA-N 451.396 4.764 50 10 JJGE N#C/C(=C/c1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1)c1ccccc1F 31901665 GDTGHAYJNWEDNG-MNDPQUGUSA-N 454.457 4.872 50 10 JJGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1N(Cc1ccccc1)c1ccccn1 40793463 CEAMHRFXAPPJSJ-UHFFFAOYSA-N 480.359 4.856 50 10 JJGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)n1 40813491 LLGLHZNDLJHNCW-JVWAILMASA-N 481.896 4.576 50 10 JJGE COc1cc(/C=C\C#N)ccc1OC(=O)COc1ccc(Br)cc1Br 41014138 XZEKLWFTPXVHMM-IHWYPQMZSA-N 467.113 4.741 50 10 JJGE CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccc(C)c2)cc1 48573140 LRISSKWGBQRBHM-FDAWAROLSA-N 495.583 4.517 50 10 JJGE CC1=C(C(=O)N/N=C/c2ccccc2Cl)[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 59384953 BKSQYLKDLAZAGQ-OYCFWJGQSA-N 453.782 4.590 50 10 JJGE C=CCN1C2=C(S/C1=C(\C#N)S(=O)(=O)c1ccc(C)cc1)[C@@H]1c3ccccc3OC[C@H]1CO2 105173653 RGBXOJITBIQJFB-SMCWDZIFSA-N 478.595 4.688 50 10 JJGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 206394952 VWHUKLQVHPFLSU-BAHMTSKISA-N 498.535 4.555 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)cc(C)c1C 206739051 KTRBXQUZQVCNIG-XKZIYDEJSA-N 488.540 4.811 50 10 JJGE O=C(NC[C@@H]1CCCC[C@@H]1Br)c1cc(Br)sc1Br 232460301 RPBLCLAUGOYBJK-CBAPKCEASA-N 460.029 4.957 50 10 JJGE CC(C)N(CCCBr)C(=O)c1cc(I)ccc1Br 232649584 QJVSQYKXZVPDRX-UHFFFAOYSA-N 488.989 4.689 50 10 JJGE COc1cc(C=NNC(=O)CNc2ccc3ccccc3c2)ccc1OC(=O)c1cccc(F)c1 252595060 BYDKNBMFGWXFJG-UHFFFAOYSA-N 471.488 4.769 50 10 JJGE Cc1cc(C)c(OCC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(Br)c1 252598410 CZZJKXSDUAJMNG-UHFFFAOYSA-N 472.295 4.763 50 10 JJGE CC(=NNC(=O)CCCOc1ccc(Cl)cc1C)c1ccc(NC(=O)C(F)(F)F)cc1 254824186 GYYIDBJADASXFX-UHFFFAOYSA-N 455.864 4.849 50 10 JJGE Cc1ccc2nc(CCl)n(-c3cc(Br)ccc3I)c2n1 380208480 GNKWMIUAFZMFTL-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE O=C(CBr)c1cc(I)c(C(F)(F)F)cc1C(F)(F)F 575340664 UYNJUDHLHQIDGC-UHFFFAOYSA-N 460.937 4.906 50 10 JJGE COc1cc(C=NNC(=O)c2cc3ccccc3cc2O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1C 1084336508 SUBMLFWGFYXARE-UHFFFAOYSA-N 499.479 4.754 50 10 JJGE COc1ccc(C(=O)NN=C2C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1OC 1084467374 NOINWIKSFMVDPZ-UHFFFAOYSA-N 465.509 4.538 50 10 JJGE CCOc1c(Br)cc(C=NNC(=O)CSc2ccc(Cl)cc2)cc1OC 1772756148 MDIQFKZENRMGIX-UHFFFAOYSA-N 457.777 4.752 50 10 JJGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)c1 1865690197 LCENNGNQGXXJCG-QHCPKHFHSA-N 465.513 4.560 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)c1OCc1cccc(C)c1 1865706093 NNDGFHUAGRBEMJ-SFHVURJKSA-N 470.451 4.553 50 10 JJGE CCC[C@@H](NC(=O)Cc1nc(-c2cccc(OC)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866673485 DUIQJLKIWCFRTC-OAQYLSRUSA-N 478.574 4.698 50 10 JJGE COc1cc(/C=C(\C#N)c2nc(-c3ccccc3OC)cs2)ccc1OCCN1CCOCC1 1872784506 QGEYQQSDJRAKKU-HMMYKYKNSA-N 477.586 4.602 50 10 JJGE C[C@H]([C@@H](Br)c1c(Br)sc(Br)c1Cl)S(C)(=O)=O 1923070561 CGUHTTIYOCQSSZ-NQXXGFSBSA-N 475.449 4.796 50 10 JJGE N#CC(=Cc1sc(N2CCOCC2)nc1-c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 2040461185 CNXMBIASHBNJGM-UHFFFAOYSA-N 471.991 4.638 50 10 JJGE Cc1nn(C)cc1COc1c(Br)cc(CBr)cc1Br 2087130174 MDYTXINOWUUKSR-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE CC1(C)[C@@H](CCl)CCN1C(=O)c1cc(I)ccc1Br 2095203822 COMHHPPRCABPMT-SECBINFHSA-N 456.549 4.533 50 10 JJGE CC(C)CN1C[C@H](Cc2cc(Cl)ccc2I)[C@@H](Br)C1 2100727097 LVRYRTHQHWQOKB-JSGCOSHPSA-N 456.593 4.838 50 10 JJGE C[C@H]1CN(C(=O)c2cc(Br)cc(Br)c2)CC[C@H]1CBr 2109034932 VMPVBNXAGHPSBO-UWVGGRQHSA-N 454.000 4.705 50 10 JJGE CC1(C)C[C@H](CBr)CN1C(=O)c1ccc(Br)cc1Br 2127824336 QSWDTWXXTCUZTD-SECBINFHSA-N 454.000 4.847 50 10 JJGE O=S(=O)(N[C@@H](CBr)c1ccsc1)c1c(Cl)cccc1Br 2175669673 WAGDAJBJNWVEKI-NSHDSACASA-N 459.612 4.579 50 10 JJGE C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Cl)c(CBr)c2)CN1Cc1ccccc1 2179793287 RPRMWPODLARGLS-CRAIPNDOSA-N 471.848 4.518 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(Br)cc1Cl 2255955372 MXVFHOBCRPSGGS-UHFFFAOYSA-N 469.854 4.738 50 10 JJGE O=C(c1cc(Br)c(O)cc1O)N(Cc1ccccc1)[C@H](CBr)C1CC1 2256018302 YDFYGNIPXLPSCI-MRXNPFEDSA-N 469.173 4.676 50 10 JJGE C[C@]1(CNC(=O)c2ccc(I)c(Br)c2)CCC[C@@H]1Cl 2271305115 KJXXDVLMOIOQLU-GXTWGEPZSA-N 456.549 4.581 50 10 JJGE C=CC[C@]1(CBr)CCCN1C(=O)c1ccc(I)c(Cl)c1 2287793292 QVJOWOITFHETQW-OAHLLOKOSA-N 468.560 4.890 50 10 JJGE CC(=NNC(=O)C(=Cc1cccs1)NC(=O)c1ccccc1)c1cccc(Br)c1 2293128355 HQKVYIQWQJXVOW-UHFFFAOYSA-N 468.376 4.822 50 10 JJGE C[C@H](NC(=O)C(C#N)=CNCCc1ccccc1Br)C12CC3CC(CC(C3)C1)C2 2318467968 IHYDPTFMWACSRK-RNXZQOMOSA-N 456.428 4.710 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2C[C@@H](C(F)(F)F)C2)C1 2327818407 BFXDQKVHKBVEAL-DVOMOZLQSA-N 477.305 4.796 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)c(C)c1C 2331361266 BVQIZMSGARSKES-HNNXBMFYSA-N 459.527 4.913 50 10 JJGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(F)c1 38678248 AMGFLJZTCVUJTB-XMMPIXPASA-N 464.880 4.990 50 10 JJGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1c(F)cccc1Cl 38680223 ACALEMXJTXUUCE-HSZRJFAPSA-N 480.879 4.690 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@@H]1c1cccc(Cl)c1 38687678 VPKMQRGRCJWEFC-QHCPKHFHSA-N 470.868 4.884 50 10 JJGE COc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C)cc3C)nc3c(C)cccn3c2=O)c1 39993146 BYRSLHHXDIUZAX-XSFVSMFZSA-N 480.524 4.966 50 10 JJGE COc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)c1 39993174 YXDVPMIFNWKDJR-XMHGGMMESA-N 466.497 4.658 50 10 JJGE CN1Cc2cc([C@H](Br)c3csc(I)c3)ccc2NC1=O 123285014 HZHUHCVWXILQBJ-ZDUSSCGKSA-N 463.138 4.814 50 10 JJGE CCOc1cc(/C=N/NC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc(Cl)c1OCC 169927658 UCQOJPRCFYNVAK-CVKSISIWSA-N 452.942 4.576 50 10 JJGE CCc1ccc(N(C(=O)/C(C#N)=C\c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 207128718 SIYUYKCQIWATNF-XLNRJJMWSA-N 460.555 4.895 50 10 JJGE O=C(NC[C@H]1CCC[C@@H](Br)C1)c1ccc(I)c(Cl)c1 227754404 RXZUMUXJPKHNLW-GXSJLCMTSA-N 456.549 4.628 50 10 JJGE COc1ccccc1NCC(=O)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)c(OC)c1 254287240 RDRNYUIFZFNOFJ-UHFFFAOYSA-N 483.524 4.638 50 10 JJGE COc1ccccc1C=NNC(=O)c1csc(-n2nc(C(F)(F)F)cc2-c2cccs2)n1 254509016 GYZKQJUITLECDF-UHFFFAOYSA-N 477.493 4.849 50 10 JJGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=Cc3ccncc3)n2-c2ccccc2)cc1 254904645 QWVVRKMVZBEZEG-UHFFFAOYSA-N 470.602 4.869 50 10 JJGE CCCC(=O)[C@@H](Br)Cc1ccc(I)c(Br)c1 300897610 IZHGTFQOCMLBGD-JTQLQIEISA-N 459.947 4.729 50 10 JJGE Cc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c(F)c1 382684299 GLKOWQFBRLNMCI-WMZOPIPTSA-N 453.295 4.921 50 10 JJGE C[C@@H]1CC[C@@H](CCl)CN1C(=O)c1ccc(I)c(Br)c1 721510449 OAUMRWSDIIBJOM-ZJUUUORDSA-N 456.549 4.533 50 10 JJGE C=CCC[C@H](NCC(=O)NNC(=O)c1cc(C)c(CC)s1)c1ccc(C(F)(F)F)cc1 1307617957 JKLNUDWHBUZPKH-KRWDZBQOSA-N 453.530 4.696 50 10 JJGE CC(=O)N(c1ccc(NC(=O)NNC(=O)c2cc3c(s2)CCCCCC3)cc1)[C@H]1C[C@@H]1C 1310777234 DBHBMYRTDXXVOM-YWZLYKJASA-N 454.596 4.635 50 10 JJGE C=CCc1ccc(OCC(=O)NNc2ccc(Br)cc2C(F)(F)F)c(OC)c1 1584975995 IPRQVOKULSQKTF-UHFFFAOYSA-N 459.262 4.727 50 10 JJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865692936 QDSFITZWJBGMOW-OAQYLSRUSA-N 471.344 4.782 50 10 JJGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(F)c(C)c4)cs3)cc2C1=O 1872749920 NTGLJUVUKFHCNK-QOCHGBHMSA-N 477.517 4.840 50 10 JJGE CC(C)(CI)CN(CCCNC(=O)OC(C)(C)C)Cc1ccccc1 1893385754 FLAPTHRBTGTKOH-UHFFFAOYSA-N 460.400 4.865 50 10 JJGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 1916364273 KJBZRGQGEGECKK-AWEZNQCLSA-N 467.212 4.594 50 10 JJGE O=C(NC[C@H]1CCCC2(CCC2)[C@H]1Br)c1sccc1I 1924844948 NYSOUQSAQRACBQ-MFKMUULPSA-N 468.198 4.816 50 10 JJGE CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCCSSCCNC(=O)OC(C)(C)C 2010826502 CKSWOKSZSQHNJU-ZWKOTPCHSA-N 477.737 4.908 50 10 JJGE CC[C@@H](Br)CN(c1ncc(I)cc1Br)C1CC1 2015766560 NVPSBJNFSLRPIM-MRVPVSSYSA-N 473.978 4.591 50 10 JJGE C[C@H]1CN(C(=O)c2csc(Br)c2Br)CC[C@@H]1CBr 2046679954 QCADTTUFDYFMQD-JGVFFNPUSA-N 460.029 4.766 50 10 JJGE O=C(NC[C@@H]1CCC[C@H](Br)C1)c1cccc(Br)c1Br 2092339664 GXSYIYVVVKNAST-ZJUUUORDSA-N 454.000 4.895 50 10 JJGE BrC[C@@H]1CN(c2ncc(Br)cc2Br)CCC12CCC2 2095307641 GYVBIAUTWXVJEP-SNVBAGLBSA-N 453.016 4.998 50 10 JJGE CN(C(=O)c1cc(Br)ccc1Br)C1CCC(Br)CC1 2103909452 OPQPTLLAYPDOLY-UHFFFAOYSA-N 454.000 4.990 50 10 JJGE CC1CC(CBr)(N(C)C(=O)c2cccc(Br)c2Br)C1 2108309251 SLRXZXSXWXHENY-UHFFFAOYSA-N 454.000 4.847 50 10 JJGE O=C(N[C@@H](CBr)c1ccsc1)c1ccc(I)c(Cl)c1 2119039743 OERRCXAJHVRQFE-LBPRGKRZSA-N 470.557 4.872 50 10 JJGE O=C(c1scc(Br)c1Br)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Br)C2 2134112361 LYEXFLJMZMRYIC-UEGXPFIPSA-N 476.003 4.752 50 10 JJGE COc1c(Br)cc(C)cc1[C@H](Br)c1cn(C)c(Br)n1 2139010245 ATQUQVHMWIOPDS-NSHDSACASA-N 452.972 4.746 50 10 JJGE CC(C)(C)C[C@H](CBr)CNS(=O)(=O)c1cc(Cl)c(Br)s1 2156327909 BTXYDXUQUXKCRD-MRVPVSSYSA-N 467.676 4.890 50 10 JJGE CCC(CBr)(CBr)NC(=O)c1cc(C)c(Br)c(C)c1 2227421734 KETFGYOQVJYLPK-UHFFFAOYSA-N 456.016 4.734 50 10 JJGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)C(C#N)=C2C)cc1 2314617575 FKGODIAROUFVQS-UHFFFAOYSA-N 454.555 4.873 50 10 JJGE CC(C)CN1C[C@H](Br)[C@H](Cc2ccc(Cl)c(I)c2)C1 2337219012 OPGFACWMUPSKKX-OLZOCXBDSA-N 456.593 4.838 50 10 JJGE O=C(NC[C@@H]1CCC[C@H](Br)C1)c1ccc(Cl)cc1I 2340054426 MSGPYYNBXSDEDK-ZJUUUORDSA-N 456.549 4.628 50 10 JJGE Fc1cc(Br)cc(N2CC(n3ccc(Br)n3)C2)c1CBr 2361521742 KFQXGPRGLWWIFF-UHFFFAOYSA-N 467.962 4.503 50 10 JJGE CC(C)[C@@H](Br)C(C)(C)CN(C)C(=O)c1ccc(I)cc1 2365992452 WGJXMQVNDASYLG-CQSZACIVSA-N 452.174 4.809 50 10 JJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccccc2C(C)C)c(Br)c1 14832188 XJENEXAMSRGXGG-MRXNPFEDSA-N 477.399 4.691 50 10 JJGE CCOc1cc(/C=C2/C(=O)N(CCOC)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 38606239 QDMLHODZHZCGGZ-DEDYPNTBSA-N 480.948 4.556 50 10 JJGE O=C(NNc1ncnc(Nc2cccc3ncccc23)c1[N+](=O)[O-])c1cccc2ccccc12 40658726 FISGMDVIKKBWRH-UHFFFAOYSA-N 451.446 4.587 50 10 JJGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 58891828 GVORDVLHZLPPNF-UEYTXEIUSA-N 473.529 4.866 50 10 JJGE O=C(NC[C@H]1CCC[C@H](Br)C1)c1cc(Cl)ccc1I 227768358 SZFDKSQOODWWMJ-UWVGGRQHSA-N 456.549 4.628 50 10 JJGE COc1ccc(OC)c(C=NNC(=O)CCn2cnc(-c3ccccc3)c2-c2ccccc2)c1 254441501 HMOTUCWINSDWMD-UHFFFAOYSA-N 454.530 4.775 50 10 JJGE C[C@@H]1CCCN(C(=O)c2ccc(I)c(Cl)c2)[C@H]1CBr 688677685 CLKPORGLPWDLRS-RNCFNFMXSA-N 456.549 4.580 50 10 JJGE BrCc1ccc(Br)cc1N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 705933882 MMPBTOXNPIUNJB-QZTJIDSGSA-N 450.218 4.912 50 10 JJGE C[C@@]1(CBr)CCCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 722981261 NSKJVARJYPBZJI-LBPRGKRZSA-N 466.022 4.694 50 10 JJGE COc1ccccc1NC(=O)C(=O)NN=Cc1cccc(OCc2c(Cl)cccc2Cl)c1 1084627592 UIADGIPLWKUORH-UHFFFAOYSA-N 472.328 4.670 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1865680598 PTDTWCHAJIMMTM-NRFANRHFSA-N 456.889 4.822 50 10 JJGE Cn1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)c2ccccc21 1865698750 BWWZKNCTJOUOOF-IBGZPJMESA-N 467.426 4.799 50 10 JJGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705824 GTCUOJYOGQOXFG-NRFANRHFSA-N 463.925 4.890 50 10 JJGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865707564 ZTDBDDPSEZSLGL-NRFANRHFSA-N 450.926 4.714 50 10 JJGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(Br)cc1 1865714156 FFBCQIWXSJYTKS-IBGZPJMESA-N 465.351 4.949 50 10 JJGE CCc1ccc(-c2ccc(C(=O)N/N=C(\C)c3ccc4c(c3)N(C)C(=O)[C@H](C)O4)c(C)n2)cc1 1865763647 VZBVNEVQISQZDQ-DSWROXKMSA-N 456.546 4.517 50 10 JJGE CC(C)CCN(CCBr)C(=O)c1cc(Cl)ccc1I 1924461118 XOHHVFAQXLKOIV-UHFFFAOYSA-N 458.565 4.828 50 10 JJGE CC(C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Br 1984662934 YPSPXBBUMGAJRS-UHFFFAOYSA-N 461.219 4.943 50 10 JJGE C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)NCCSSCCNC(=O)OC(C)(C)C 1985347443 SDLBIBZVUXVWGE-DLBZAZTESA-N 463.710 4.660 50 10 JJGE CC(C)(CBr)N(Cc1ccccc1)C(=O)Cc1ccc(O)c(Br)c1 2003583440 DUDVZORDXFIPFJ-UHFFFAOYSA-N 455.190 4.900 50 10 JJGE CN(Cc1cc(Cl)ccc1I)[C@H](CCBr)C(F)F 2058235499 XFPCTNOADFKLND-LLVKDONJSA-N 452.508 4.795 50 10 JJGE CC(C)(C)OC(=O)NC1CCS(=O)(=NCC2(CBr)CCCCCC2)CC1 2106786098 DRDQJVREOXBCFZ-UHFFFAOYSA-N 451.471 4.877 50 10 JJGE C[C@H]1C[C@H](CCl)CCN1C(=O)c1ccc(I)c(Br)c1 2115847620 MVKMXMBGWVRFMN-VHSXEESVSA-N 456.549 4.533 50 10 JJGE CCOc1ccc([C@@H](Br)c2cn(C)nc2Br)c(Br)c1 2116554055 HYZCUTKQWCVYKH-GFCCVEGCSA-N 452.972 4.828 50 10 JJGE C[C@H]1CCN(S(=O)(=O)c2ccc(CBr)c(Cl)c2)CCN1Cc1ccccc1 2179791282 PFKIPOANGTUVRA-INIZCTEOSA-N 471.848 4.520 50 10 JJGE Cc1cc(S(=O)(=O)N(C)Cc2sccc2Br)sc1CBr 2179826404 ROYWAGHQFIQZQB-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE Cc1nn(CCCBr)c(C)c1S(=O)(=O)N(Cc1ccccc1)CC(C)(C)C 2179826994 ZLZMMPLCHPGZGT-UHFFFAOYSA-N 456.450 4.522 50 10 JJGE Cc1ccc(C(=O)NCC[C@H]2CCCC[C@H]2Br)cc1I 2232836183 DIIMJNDFFRSSLR-TZMCWYRMSA-N 450.158 4.673 50 10 JJGE Cc1c(Br)cccc1CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1I 2243597769 ZXOBFEGEFJCKSS-CABCVRRESA-N 496.183 4.697 50 10 JJGE O=C(NC[C@H]1CCCC[C@@H]1Br)c1ccc(Cl)c(I)c1 2268359989 YLZRLIFPISMHPW-MNOVXSKESA-N 456.549 4.628 50 10 JJGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccccc2F)cc1 2296654290 LANRVNRRCFNTOP-UHFFFAOYSA-N 458.537 4.593 50 10 JJGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)ccc1OCc1ccccc1F 2297399997 SODHXAMJCWRWRM-UHFFFAOYSA-N 463.421 4.573 50 10 JJGE CN(C(=O)OC(C)(C)C)[C@]12CCC[C@H](CN(CCCCCI)C1)C2 2298079568 HKJFXYXUFBHLAF-LPHOPBHVSA-N 450.405 4.703 50 10 JJGE CNC(=O)C(C#N)=C1S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(OC)cc1 2314593640 QJDORFDOLFARQZ-SFHVURJKSA-N 495.910 4.540 50 10 JJGE CCCCCOc1ccc(C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1 2314616949 NOJUDLDKASOEDR-UHFFFAOYSA-N 458.514 4.777 50 10 JJGE N#CC(=CNc1ccccc1N1CCOCC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325384813 REVVXZQZIZEFTL-UHFFFAOYSA-N 450.848 4.653 50 10 JJGE CC[C@]1(C)[C@H](Br)CCN1C(=O)c1cc(Br)ccc1Br 2336760953 DOYNZXFZFOZJQW-TZMCWYRMSA-N 454.000 4.990 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CC[C@@]2(CCC[C@@H]2Br)C1 2365593532 USQHYMMSJQBHEU-ZFWWWQNUSA-N 468.560 4.724 50 10 JJGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c1 10671477 AZGBKJMERCIFGL-CQSZACIVSA-N 498.432 4.665 50 10 JJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc1 14644431 AVCFIYKFYCCQRD-KBPBESRZSA-N 483.790 4.610 50 10 JJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2cccc3ccccc23)c(Br)c1 14832298 LKHPPYJWRRMFQX-MRXNPFEDSA-N 485.378 4.721 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)c1 38650203 UDMSUGNNLNTNDA-RUZDIDTESA-N 476.916 4.860 50 10 JJGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 38654976 TWDRMZGMPFCMNT-PUAOIOHZSA-N 485.496 4.748 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1 38685805 PNNTUAUBIFKDDJ-SANMLTNESA-N 456.498 4.596 50 10 JJGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C/c1ccc(Cl)cc1Cl 58989024 BZCQFYZWRUINKD-AFUMVMLFSA-N 474.417 4.799 50 10 JJGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)Cc2ccc(Cl)cc2)cc1 100154549 XDNOWYSIIAHVRI-UHFFFAOYSA-N 462.015 4.567 50 10 JJGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)cc1 102684600 KCSCEAXFCJWQSW-PEZBUJJGSA-N 472.888 4.694 50 10 JJGE O=C(NCc1cccc(CBr)c1)c1cc(Cl)ccc1I 236066700 VDQBGUCQEPFSJH-UHFFFAOYSA-N 464.528 4.770 50 10 JJGE CCCCN1C(=O)C(=NNC(=O)COc2ccc(Cl)cc2Cl)c2cc(Br)ccc21 252623477 OSOBHDIGHRVEQZ-UHFFFAOYSA-N 499.192 4.802 50 10 JJGE CCO[C@@H]1[C@@H](Br)C[C@H]1Oc1cc(Br)c(OC)cc1Br 252855925 LPZISYRXHNSDDR-ZWKOPEQDSA-N 458.972 4.540 50 10 JJGE CC(C)(C)S(=O)(=O)CCOc1c(Br)cc(Br)cc1CBr 312373873 BBDNJZFLLZNBTK-UHFFFAOYSA-N 493.055 4.699 50 10 JJGE CC[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C[C@H]1Br 399882023 UEXUKMZFXSNPJL-VXNVDRBHSA-N 466.022 4.550 50 10 JJGE BrCc1cc(Br)ccc1N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 404132905 ALYMPBKOAFIBBH-LEWJYISDSA-N 480.244 4.824 50 10 JJGE O=C(CBr)c1c(Br)cc(OC(F)(F)F)cc1I 575695292 LLLSRGNSNKLUHL-UHFFFAOYSA-N 487.835 4.530 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)NCc2cc(Br)ccc2F)c(-c2ccccc2)n1 914497159 DDZVMZMMMRONAX-BOPFTXTBSA-N 478.325 4.589 50 10 JJGE C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 1083992551 AOZDBOZQZVQDBJ-HMMYKYKNSA-N 451.954 4.559 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1c(F)cccc1Cl 1084119176 FVXNSWAOSIFMNB-PNDHZVEESA-N 458.917 4.659 50 10 JJGE Cc1ccc(N(CC(=O)NN=Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)c1 1084211213 XUXMNYWJJIZEFA-UHFFFAOYSA-N 490.412 4.956 50 10 JJGE Cc1cc(C)cc(OCC(=O)NN=C2C(=O)N(Cc3cccc4ccccc34)c3ccccc32)c1 1084618237 CXDDDONAPJPBMY-UHFFFAOYSA-N 463.537 4.903 50 10 JJGE O=C(NNC(=O)c1ccc(Br)cc1)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 1322530797 KUABXIKBIQEWGP-QGZVFWFLSA-N 489.370 4.733 50 10 JJGE C/C(=C/C(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 1596866914 QHRMCOPBUDAAGQ-LUAWRHEFSA-N 452.376 4.546 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1O 1865681912 AGWBZTGDDOMUAV-HSZRJFAPSA-N 468.488 4.670 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)cc1OCC 1865689187 MBIIBRLMLKCJKY-QHCPKHFHSA-N 462.525 4.648 50 10 JJGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)cc1OC 1865697290 PTTYGFNWCQDJAQ-DEOSSOPVSA-N 474.561 4.849 50 10 JJGE N#C/C(=C(/O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc(F)cc2)cs1 1872753073 GNCQWYNXINAKOF-ZZEZOPTASA-N 478.461 4.726 50 10 JJGE CN(CCN(Cc1ccccc1)Cc1cc2sc(C(=O)NN)cc2s1)Cc1ccccc1 2038926493 FMQBDYDFICZAQT-UHFFFAOYSA-N 464.660 4.701 50 10 JJGE COc1sc([C@@H](Br)c2nn(C)c(Br)c2C)cc1Br 2049256696 VOCHSMLGULEKEF-MRVPVSSYSA-N 459.001 4.808 50 10 JJGE O=C(CBr)c1ccc(Br)c(I)c1OC(F)(F)F 2054820259 GSKVVGXMUIKTEM-UHFFFAOYSA-N 487.835 4.530 50 10 JJGE O=C(c1csc(Br)c1Br)N1CCC([C@@H](F)CBr)CC1 2106952957 SAVYAZNNZWUWOW-VIFPVBQESA-N 478.019 4.858 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNc1cc(Br)cc(F)c1[N+](=O)[O-] 2224710538 UXMXJPRGGLJGOL-UHFFFAOYSA-N 470.386 4.814 50 10 JJGE Cc1nc2c(cc1Br)nc(CCl)n2C[C@H]1CC1(Br)Br 2224800285 GJJIEECKRSLRSR-SSDOTTSWSA-N 472.406 4.747 50 10 JJGE Cc1ccc([C@H](CI)OCCOCCOCCOCc2ccccc2)cc1 2236088814 MBMATDYEQOHKLP-QFIPXVFZSA-N 484.374 4.738 50 10 JJGE O=C(N[C@]1(CCl)C[C@H]2CC[C@H]1C2)c1ccc(Br)cc1I 2283913230 PRDOJRWMNVNMJB-YHAQOWFVSA-N 468.560 4.581 50 10 JJGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(CC)cc3)nc3ccccn3c2=O)cc1 2296543445 BNMVHVMZGAYTCD-UHFFFAOYSA-N 480.524 4.994 50 10 JJGE CC[C@]1(C)[C@H](Br)CCN1c1ncc(I)cc1Br 2300038956 NAXDDNQOSAOVIZ-ZYHUDNBSSA-N 473.978 4.591 50 10 JJGE FC(F)(F)[C@H](Br)COCc1cc(I)ccc1Br 2302645571 APDCBZNYOQCPPH-SECBINFHSA-N 487.879 4.896 50 10 JJGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3ccc(F)cc3)c(Oc3ccc(F)cc3)nc12 2314533099 ONFUUNIRTUHCHC-UHFFFAOYSA-N 458.424 4.619 50 10 JJGE CCOc1cc(C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314618464 OBWLYSMLEGGKOC-JOCHJYFZSA-N 490.531 4.575 50 10 JJGE CCCCNC(=O)c1cc2ccc(OC(=O)C(C#N)=Cc3ccc(OCCC)cc3)cc2oc1=O 2314738336 DWAHOVFUFCKMEH-UHFFFAOYSA-N 474.513 4.624 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1Cl 2331398109 HZXJWWSHKCEDTD-GFCCVEGCSA-N 465.918 4.949 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)c3cccc(NC(C)=O)c3)n2)c(OC)c1OC 2331412940 VHEWRHKTIGTTMS-UHFFFAOYSA-N 451.504 4.744 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCCS1(=O)=O 2339651177 MZCFAOGMTQCTMK-PSASIEDQSA-N 479.003 4.672 50 10 JJGE COC1CC2(C1)CC(O[C@@H](CI)c1ccccc1Br)C2 2361337107 UZXALRJQUSKQHX-WYDTTWCOSA-N 451.142 4.899 50 10 JJGE COC(C)(C)C1([C@@H](Br)c2cc(I)cc3c2OCC3)CC1 2369555962 QKDZSTJFRKQKLS-AWEZNQCLSA-N 451.142 4.867 50 10 JJGE CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 9872789 UBWDSMMZOOWZAD-CABCVRRESA-N 480.392 4.841 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1 38650374 JACPKQPFLQEZQV-SANMLTNESA-N 456.498 4.515 50 10 JJGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC(C)C)c2)sc2c1CCCC2 39885101 FWGCBVIFFKOTDG-LFIBNONCSA-N 454.548 4.755 50 10 JJGE COc1cc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccccc1Cl 40846864 AWYYDPSWOGGNMT-MZJWZYIUSA-N 484.936 4.717 50 10 JJGE Cc1ccc(OCC(=O)N/N=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1Cl 59165926 BWENWLHEUFIULU-WEMUOSSPSA-N 468.340 4.748 50 10 JJGE CCOc1cc(/C=N/NC(=O)c2ccncc2)cc(Br)c1OCc1ccccc1 59536154 OHVPBZCOSHJTQV-AFUMVMLFSA-N 454.324 4.586 50 10 JJGE CC[C@](C)(CCBr)NC(=O)c1cc(I)ccc1Br 228580467 SGJCKCFIEVZIJM-CYBMUJFWSA-N 488.989 4.737 50 10 JJGE CC(C)S(=O)(=O)CCC(CBr)(CBr)c1ccc(Br)cc1 232696500 KZDBBMKUQMGQQQ-UHFFFAOYSA-N 491.083 4.690 50 10 JJGE CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)NN=Cc1cccc(OC)c1OC 252607864 HFTQEXAEZQNTLI-SFHVURJKSA-N 471.351 4.927 50 10 JJGE Cc1cccc(OCCN(C)C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1 818075062 HUWWYMNYFJENAV-PGMHBOJBSA-N 473.964 4.870 50 10 JJGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc2c3c(cccc13)CC2)c1ccc(Oc2ccccc2)cc1 1083865935 YYJDVWWEUQKGTE-UHFFFAOYSA-N 499.592 4.647 50 10 JJGE COc1ccc(C(=O)NN=Cc2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)cc1OC 1084066034 PDBIBDAGUGTUMS-UHFFFAOYSA-N 484.515 4.730 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(F)c([N+](=O)[O-])c2)C1 1614694276 IHIWPADMIRMFAR-HOTGVXAUSA-N 484.265 4.521 50 10 JJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)[C@H](C)Oc3ccc(Cl)cc3C)cc2)cc1OC 1772720017 CRHBCEJNHIALGU-KRWDZBQOSA-N 496.947 4.802 50 10 JJGE CCOc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1OC)CCC2 1772745718 FOJPXSQHNPCPSY-UHFFFAOYSA-N 461.518 4.718 50 10 JJGE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)c1 1772747323 OFUUTGSAZYPPHH-UHFFFAOYSA-N 474.517 4.765 50 10 JJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865684297 WAWFLJUOQFSPSR-QHCPKHFHSA-N 468.488 4.914 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1OCC 1865689203 MOIPZLQFPNKGOM-XMMPIXPASA-N 479.540 4.950 50 10 JJGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1cccc(Cl)c1 1865693741 QXBOFPINFDGZOZ-OAQYLSRUSA-N 450.926 4.850 50 10 JJGE CC[C@H](CC(=O)NCC(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1868159999 NAHMKSQFUIJGNI-CQSZACIVSA-N 476.396 4.669 50 10 JJGE CC(C)CN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc5c(c4)OCCO5)cs3)cc2C1=O 1872750728 KHDZKDKBOYQHPN-NMWGTECJSA-N 487.537 4.783 50 10 JJGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(I)sn1 1884457982 CHLXMCPSXMHNJX-LLVKDONJSA-N 479.181 4.564 50 10 JJGE FC(F)(F)CN(CCBr)Cc1cccc(Br)c1Br 2031485639 SHULKZFIIODGRD-UHFFFAOYSA-N 453.922 4.971 50 10 JJGE C[C@@H](Cl)c1n[nH]c(=Nc2cc(Br)c(Br)c(Br)c2)o1 2034335687 UTCSNFZZXVGEMU-SCSAIBSYSA-N 460.351 4.822 50 10 JJGE CC(C)[C@@H](Br)c1cn(-c2ccc(Br)c(I)c2)nn1 2057428751 GBWALQURFZHTCK-GFCCVEGCSA-N 484.961 4.726 50 10 JJGE CN(C[C@H](Br)C1CCCC1)c1ncc(I)cc1Br 2069525051 CEKIDFLIJZXEOR-LBPRGKRZSA-N 488.005 4.839 50 10 JJGE FC(F)(F)c1c(I)c(CBr)nn1-c1cccnc1C1CC1 2078932233 HHOZNVGVGJURBW-UHFFFAOYSA-N 472.046 4.663 50 10 JJGE CC(C)(C)[C@H](CBr)CNC(=O)c1ccc(I)c(Cl)c1 2090199727 TYKKGNCASXXXRN-SNVBAGLBSA-N 458.565 4.732 50 10 JJGE Cc1c(Br)c(C[C@@H](CBr)c2ccc(Br)cc2)nn1C 2093836765 ZMIWWJLRDMWQOB-NSHDSACASA-N 451.000 4.975 50 10 JJGE CN(C(=O)c1c(Br)cccc1Br)[C@H]1CCCC[C@H]1Br 2094088064 HCMOGIDEARLPRA-SKDRFNHKSA-N 454.000 4.990 50 10 JJGE CC(C)[C@H]1[C@@H](Br)CCN1C(=O)c1cc(Cl)ccc1I 2126104081 ZOCHYYBEALTUAZ-AAEUAGOBSA-N 456.549 4.579 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2148752629 OXWKIUIKEFHXLF-NRUUGDAUSA-N 466.011 4.990 50 10 JJGE COCC(CCOc1c(Br)cc(CBr)cc1Br)COC 2187552452 VJKKMISGEAQZPY-UHFFFAOYSA-N 475.015 4.784 50 10 JJGE O=C(c1scc(Br)c1Br)N1CCC(OCCCBr)CC1 2207523175 FITQEYRZTPYUIC-UHFFFAOYSA-N 490.055 4.679 50 10 JJGE CC(C)(C)OC(=O)N1CC(N(CCCCCI)CC2CCCC2)C1 2214696342 LKMOFMNJWTURQA-UHFFFAOYSA-N 450.405 4.703 50 10 JJGE Cc1ccc(C(=O)N(C)C2CCC(CBr)CC2)cc1I 2232827243 AOZJSCCDYKPLSR-UHFFFAOYSA-N 450.158 4.625 50 10 JJGE O=C(c1cc(Br)sc1Br)N1[C@H]2CC[C@H](C2)[C@@H]1CBr 2310099632 RAQVKRJCTSMFDP-FJXKBIBVSA-N 458.013 4.661 50 10 JJGE CCCOc1ccc(C=NNC(=O)c2ccc3nc(Cc4ccccc4)[nH]c3c2)cc1[N+](=O)[O-] 2323721311 IGQONNAHPZEKEG-UHFFFAOYSA-N 457.490 4.615 50 10 JJGE BrCC1CC2(CCN2Cc2ccc(I)c(Br)c2)C1 2325225752 IOWRTTGNWHBZHY-UHFFFAOYSA-N 485.001 4.803 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccccc4C3=O)n2)cc1Cl 2331398259 YVWJHARUFXNMAC-UHFFFAOYSA-N 451.891 4.561 50 10 JJGE C/C(=N\NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(-c2ccccc2)cc1 20368205 AABBQUONYMCTRO-SGWCAAJKSA-N 475.614 4.603 50 10 JJGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NCCCn3ccnc3)oc12 33515869 GUYCDEBSDGGXSM-RCCKNPSSSA-N 492.539 4.604 50 10 JJGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCC(C)C 40514698 RZOZJEMKMHEKNP-YDZHTSKRSA-N 474.557 4.921 50 10 JJGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811611 PNOHYAJMRXZZHW-QUPMIFSKSA-N 490.991 4.674 50 10 JJGE COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(CN(C)C(C)=O)c3)c2C)cc1 58223139 XMWZTWZJEKXTEQ-HAHDFKILSA-N 456.546 4.627 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)CSCc3ccccc3Cl)cc2)cc1 59165280 UACCYKAWTBBPDJ-AFUMVMLFSA-N 489.018 4.800 50 10 JJGE O=C(N/N=C/c1ccc(Cl)cc1Cl)[C@H]1C[C@H]1C(=O)N/N=C/c1ccc(Cl)cc1Cl 59502138 YZFSNXMNEFOEED-HPAOFSDFSA-N 472.159 4.537 50 10 JJGE Cc1cccc(NCCCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)c1 59507946 RJZRKHBPBBYNQH-SSDVNMTOSA-N 469.177 4.568 50 10 JJGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@H]1O[Si](C)(C)C(C)(C)C 195853482 LUWQMPCKYNDDGB-BHYGNILZSA-N 491.728 4.770 50 10 JJGE COc1ccccc1/C=C(/C#N)C(=O)Oc1ccc2cc(C(=O)N[C@@H](C)c3ccccc3)c(=O)oc2c1 206545296 HVQVPEWYXPACRX-GFHXCNCHSA-N 494.503 4.805 50 10 JJGE CC(=NNC(=O)[C@]1(C)CC1(Br)Br)c1ccc(NC(=O)c2ccc(C)o2)cc1 252603652 FSSZNWHPUQULNW-SFHVURJKSA-N 497.187 4.577 50 10 JJGE CCOc1ccc(Br)cc1[C@H](Br)c1cnn(C)c1I 381957032 YBUSGPGAVVWXNX-LBPRGKRZSA-N 499.972 4.670 50 10 JJGE C[C@@H](NC(=O)NNC(=O)c1cccc2cccnc12)c1ccc(OCc2ccc(F)cc2)cc1 728752676 QTNAOMDHHLLFOH-QGZVFWFLSA-N 458.493 4.658 50 10 JJGE C[C@H]1C[C@@H](C)CN(C[C@H](C)NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1 920745142 HSVNLQGYMPHCIM-CYAPFUISSA-N 479.028 4.507 50 10 JJGE O=C(CCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NN=Cc1cc(Cl)cc(Cl)c1O 1084300542 XAYJVAPQZKZTIR-UHFFFAOYSA-N 479.242 4.968 50 10 JJGE CCCC[C@H](NC(=O)c1cc(-c2cccc(OC)c2)on1)C(=O)Nc1ccc(SC#N)cc1 1867143260 FGXDEIYIZPQFKV-FQEVSTJZSA-N 464.547 4.851 50 10 JJGE C=Cc1ccccc1OCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1867263487 VWPRPNQENIOECJ-QHCPKHFHSA-N 457.555 4.648 50 10 JJGE CC1(C)[C@@H](Br)CCCN1C(=O)c1cc(Br)ccc1Br 1887817100 XKOHFNMWAIDVCN-LBPRGKRZSA-N 454.000 4.990 50 10 JJGE CC1(C)C[C@H](Br)CN(C(=O)c2c(Br)cccc2Br)C1 1923153224 OSYMTQZYLVQXGB-VIFPVBQESA-N 454.000 4.847 50 10 JJGE O=S1(=O)CC[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924583924 QQCVKBUHSZGLIA-MHTLYPKNSA-N 487.460 4.750 50 10 JJGE Cc1nc(I)c(I)n1-c1cccc(Cl)c1CCl 1941552475 KZXIBODGDMQVKR-UHFFFAOYSA-N 492.913 4.782 50 10 JJGE C[C@@H](CCCCCI)NC(=O)c1cc(I)ccc1F 2117884127 WQPXARQEFATPKB-JTQLQIEISA-N 489.110 4.544 50 10 JJGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N(C)[C@H]1CC[C@H]1OCc1ccccc1 2156445893 YXFWSBWADRTZRD-RBUKOAKNSA-N 472.832 4.865 50 10 JJGE CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)c(CBr)c1 2179794531 ICFYDDMPYKHRBX-SFHVURJKSA-N 471.848 4.520 50 10 JJGE CN([C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21)S(=O)(=O)c1ccsc1CBr 2190549035 WMDNJCSIIWLDRW-WNRNVDISSA-N 470.454 4.647 50 10 JJGE CCCC(=O)[C@@H](Br)Cc1ccc(Br)cc1I 2212573659 CMXXGTFPYBRJMF-JTQLQIEISA-N 459.947 4.729 50 10 JJGE C[C@@H]1C[C@@H](Br)[C@@H](C)N(C(=O)c2cc(Br)ccc2Br)C1 2227594453 LXWIRRRZJIMIGO-JRKPZEMJSA-N 454.000 4.846 50 10 JJGE C=CCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2cc(C)c(Cl)c(C)c2)c(OC)c1 2293198092 KCWPNFBLZQDPLU-UHFFFAOYSA-N 482.964 4.939 50 10 JJGE CCn1c(SCC(=O)NN=CC(Br)=Cc2ccccc2)nnc1-c1ccc(C)cc1 2293738385 LETSWLGQMDGFEH-UHFFFAOYSA-N 484.423 4.904 50 10 JJGE C[C@@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@@H](C)C1Br 2295317735 QQXOPPZKKQACMT-NXEZZACHSA-N 468.027 4.632 50 10 JJGE COc1ccc(C=C(C#N)C(=O)Nc2sccc2C#N)cc1COc1cc(F)ccc1[N+](=O)[O-] 2295635790 DTSXDRVOOXBVDO-UHFFFAOYSA-N 478.461 4.800 50 10 JJGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCc2ccccc2)c(C)c1 2296723176 PRBOFSFEKKMWCP-UHFFFAOYSA-N 464.525 4.635 50 10 JJGE CC(CC(=O)Nc1ccc(I)cc1)=NNC(=O)c1ccc(C(C)(C)C)cc1 2297710509 OFPFQWWHXBEBLJ-UHFFFAOYSA-N 477.346 4.723 50 10 JJGE O=S1(=O)C[C@H]2C([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)[C@@H]2C1 2314500544 ONGSMVUWNHODGZ-GPMSIDNRSA-N 486.225 4.755 50 10 JJGE COc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2cc(C)cc(C)c2)nc2ccccn2c1=O 2314532874 NQSXGFCIDFGZFA-UHFFFAOYSA-N 466.497 4.658 50 10 JJGE CCCOc1c(Br)cc(C=NNC(=O)c2cc3ccccc3n2C)cc1OCC 2323733115 AGKAAVCYAFHAHN-UHFFFAOYSA-N 458.356 4.892 50 10 JJGE Cc1ccc(C(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1I 12492966 GWKPMFYEKWEOQU-UHFFFAOYSA-N 470.719 4.543 50 10 JJGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3C)ccc21 38681388 MPVGUEROFMGAPZ-HHHXNRCGSA-N 470.525 4.986 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@@H]1c1c(Cl)cccc1Cl 38700546 NOXRXFBFEYPKGG-YADHBBJMSA-N 495.318 4.957 50 10 JJGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)n1 40811823 ZDFZGGWIWRGKNA-WPWMEQJKSA-N 481.350 4.777 50 10 JJGE CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)cc1OC 40890446 WMFSVWRHIUDWJB-WUPIVPHJSA-N 478.545 4.543 50 10 JJGE COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)cc(Br)c1OC 40911957 ASNFYGZZSSUGOZ-AFUMVMLFSA-N 469.335 4.662 50 10 JJGE C=CCOc1c(Cl)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1Br 58889332 JIKDIDMRWJBGBL-VLZFXTDASA-N 451.748 4.631 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 59432739 DCPIQEIKZHDSEW-LFIBNONCSA-N 460.402 4.850 50 10 JJGE Cc1cc(CCl)cc(S(=O)(=O)N2CCC(OCc3ccccc3)CC2)c1Br 383810189 BTOJBYWVMYSPQM-UHFFFAOYSA-N 472.832 4.866 50 10 JJGE Cc1cc(C)n(-c2cccc(NC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)c2)n1 918131192 IFRVGTVWWKXKJT-PXLXIMEGSA-N 461.529 4.812 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084032450 RMXMKDGPKYNXMG-OAHLLOKOSA-N 457.361 4.728 50 10 JJGE O=C(NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 1084640508 RLUZRZWORISNBG-UHFFFAOYSA-N 464.478 4.962 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2cccc(OC(F)(F)F)c2)C1 1614693473 MLIPAJXKGFEFSV-TZMCWYRMSA-N 471.257 4.971 50 10 JJGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772750053 WCYRAGBHXWCVEF-UHFFFAOYSA-N 450.545 4.982 50 10 JJGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccn2)cc1OC 1865697142 NZQDUSZVPSYXJP-HSZRJFAPSA-N 459.550 4.625 50 10 JJGE COc1cc(/C=N\NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc([N+](=O)[O-])c1O 1865760789 OWBZAAZCZTXSDA-VROXFSQNSA-N 475.288 4.750 50 10 JJGE COc1ccc(OC)c(-c2csc(/C(C#N)=C/c3cc4c(cc3[N+](=O)[O-])OCCO4)n2)c1 1872791458 IIKZAJOTYSHXOX-VGOFMYFVSA-N 451.460 4.571 50 10 JJGE Cc1cc(C(=O)N[C@@H](CCBr)COCc2ccccc2)sc1Br 1902790686 NONFNCRRJOPYNG-AWEZNQCLSA-N 461.219 4.919 50 10 JJGE CC1(C)C[C@H](Br)CN(C(=O)c2cc(Br)c(Br)s2)C1 1923153127 XEYQBRHIUPPTAZ-ZETCQYMHSA-N 460.029 4.909 50 10 JJGE C[C@H](Cl)CC(=O)Nc1cc(Br)c(I)c(Br)c1 1982341948 ZLVFPZGHWZLWAH-YFKPBYRVSA-N 481.353 4.772 50 10 JJGE O=C(CBr)c1cc(I)c(OC(F)(F)F)c(C(F)(F)F)c1 2055117348 OJVDQJSHIAHFHD-UHFFFAOYSA-N 476.936 4.786 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)[C@H](C)C[C@H]1Br 2093112976 VYCKOFUXRPJVSS-KBVBSXBZSA-N 456.549 4.579 50 10 JJGE CC1(C)[C@H](Br)CC[C@H]1NC(=O)c1cc(Br)ccc1Br 2142134786 JUDPEJWXTYBEOH-VXGBXAGGSA-N 454.000 4.894 50 10 JJGE Cc1c(Br)c(CC(CBr)(CBr)c2ccccc2)nn1C 2150221370 YNDJHFOSGPMXTL-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1c(Br)cccc1Br 2150490902 ZESRNVYYCCWJAR-HIAZDOBYSA-N 466.011 4.988 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CCC([C@@H](F)CBr)CC1 2163243104 AJZUCEMFDNZPEE-LBPRGKRZSA-N 474.539 4.530 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Br)C2 2190678338 LACXPPHCNJNWBZ-WTFGDDLMSA-N 469.974 4.690 50 10 JJGE Cc1cc(C(=O)N2CCCC[C@@H]2C[C@@H](C)Br)ccc1I 2207107871 TUMHLGBMMIGOIR-TZMCWYRMSA-N 450.158 4.768 50 10 JJGE COc1ccc([C@H](Br)c2ccc(OC)c(I)c2)cc1F 2285001721 YQQUCLRKYZDPMM-HNNXBMFYSA-N 451.073 4.932 50 10 JJGE CS(=O)(=O)C1([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)CCC1 2288359200 YBICPOYUGPGJCJ-NSHDSACASA-N 452.542 4.737 50 10 JJGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2293039232 QVYKINCZMPCHJM-QFIPXVFZSA-N 477.973 4.984 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(Br)c2)sc(C)c1C 2296818056 CYGBHNJQJARGGR-UHFFFAOYSA-N 463.353 4.858 50 10 JJGE CC(=O)OCCCN1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)C(C)=C(C#N)C1=O 2296854983 JTIQNXKQKAWHHI-UHFFFAOYSA-N 473.312 4.799 50 10 JJGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c(OCC)c1 2314735880 HXTGZNFUBVBOGI-INIZCTEOSA-N 457.910 4.890 50 10 JJGE BrCC1(OCc2cc(I)ccc2Br)CCOCC1 2319215521 ZEKFLEZYMYYSAP-UHFFFAOYSA-N 489.973 4.514 50 10 JJGE Cc1ccc(CBr)c(OCc2nn(C)cc2I)c1Br 2352573219 RAGHZAXKFKOJCE-UHFFFAOYSA-N 499.972 4.570 50 10 JJGE O=C(NC[C@H]1CCCC[C@@H]1CBr)c1ccc(Cl)cc1I 2365586193 JIFOJURETCBGIP-GHMZBOCLSA-N 470.576 4.876 50 10 JJGE Cc1cc(C)c(OCC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(Br)c1 722421 ILSJJNAEUVBBEW-FOKLQQMPSA-N 472.295 4.763 50 10 JJGE Cc1ccc2c(c1)/C(=N\NC(=O)COc1ccc3cc(Br)ccc3c1)C(=O)N2CC(C)C 33959332 QZDCAODHAFWBJZ-ZZIIXHQDSA-N 494.389 4.813 50 10 JJGE COc1cc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc(OC)c1OC 35223561 LNQNHNHGOPJREG-STBIYBPSSA-N 490.556 4.993 50 10 JJGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)c1 38651658 XLTZFUGCEKDYIV-DEOSSOPVSA-N 491.341 4.960 50 10 JJGE Cc1nn(-c2ccccc2)c2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CC(C)(C)C2 39853283 FNXLAMUKHVHXLZ-XIEYBQDHSA-N 451.914 4.849 50 10 JJGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1cccnc1)CCC2 40814193 NVXAELNJORYHIC-WGOQTCKBSA-N 458.301 4.979 50 10 JJGE COc1cc(C(=O)N/N=C/c2ccc(Sc3nc4ccccc4s3)o2)cc(OC)c1OC 59392268 VKGHOXVLWKCVIR-FSJBWODESA-N 469.544 4.830 50 10 JJGE CCC[C@@H](Br)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 134637213 NOHRWFSOGSNTAF-SSDOTTSWSA-N 454.011 4.598 50 10 JJGE CCOc1cc(/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214330782 IHFVYJNESSLRML-UGZUYNBGSA-N 486.568 4.744 50 10 JJGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3[N+](=O)[O-])n2-c2ccc(C)cc2)cc1 254382174 TXFDSNIEXUTAQU-UHFFFAOYSA-N 486.557 4.702 50 10 JJGE CS(=O)(=O)CCCCC(CBr)(CBr)c1ccc(Br)cc1 706369429 BHMRWQMDSXXPHT-UHFFFAOYSA-N 491.083 4.692 50 10 JJGE O=C(NC[C@@H]1CCCC[C@H]1CCl)c1ccc(I)c(Br)c1 721572649 MLYLJOXQZGMOQL-RYUDHWBXSA-N 470.576 4.829 50 10 JJGE CC(C)(C)[C@@H](CBr)NC(=O)c1ccc(I)c(Br)c1 721580166 UAWBSFHESUPNBS-LLVKDONJSA-N 488.989 4.593 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)nc2)c(-c2ccccc2)n1 918632311 DRBPQFODRWAZJG-XQNSMLJCSA-N 474.524 4.983 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1cccc(C)c1 1084107342 IIZUXZVZXKAFBY-JJFYIABZSA-N 456.498 4.535 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)c(C)n1CC(C)C 1086834197 JFCFODLRPSZZBS-BKUYFWCQSA-N 454.018 4.712 50 10 JJGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1c(F)cccc1Cl 1865691599 WBECKWRUGGUKSF-QFIPXVFZSA-N 450.901 4.815 50 10 JJGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865697075 WHTNAORYGMPPSW-LJQANCHMSA-N 489.732 4.719 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1ccccc1C(=O)O 1865703729 DCIWJJXMKMCJLR-QFIPXVFZSA-N 466.472 4.654 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)cc1OC 1872745564 SXZKSWJMDRHLCK-ZHZULCJRSA-N 468.447 4.902 50 10 JJGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4ccccc4C3=O)n2)cc1C 1872758296 UHOMKVAFCBEJKQ-VZCXRCSSSA-N 459.527 4.915 50 10 JJGE Cc1ccc(Br)cc1CC[C@@H](Br)CN1C(=O)c2ccccc2C1=O 1905404757 MLXMTFLAQAWMIQ-OAHLLOKOSA-N 451.158 4.750 50 10 JJGE O=C(c1scc(Br)c1Br)N1CC[C@@H](Br)C12CCC2 1914398289 IPWNWXICOCTLAX-MRVPVSSYSA-N 458.013 4.805 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C12CCC2 2010829263 TUSQLAASOXOVNW-SJORKVTESA-N 475.721 4.566 50 10 JJGE CCN(C[C@](C)(CI)OC[C@](C)(F)C(F)(F)F)C(=O)OC(C)(C)C 2017070582 RYXSVIAPBRAXAZ-KBPBESRZSA-N 471.273 4.744 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H](Br)CC12CCC2 2038050595 JJLWOAZBJCJKDH-SSDOTTSWSA-N 458.013 4.805 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](Br)CC12CCC2 2099387048 UZSKUSSVUYGPTJ-SNVBAGLBSA-N 498.984 4.586 50 10 JJGE Fc1cc2c(cc1I)nc(CCl)n2CC1(Br)CCC1 2111901488 XKKAPTALBMQGSV-UHFFFAOYSA-N 457.512 4.836 50 10 JJGE C[C@@]1(CCBr)CCN(C(=O)c2ccc(I)c(Cl)c2)C1 2131898140 CEKSSINUIZMZNS-CQSZACIVSA-N 456.549 4.582 50 10 JJGE CC1(C)C[C@H](CBr)N(c2ncc(C(F)(F)F)cc2I)C1 2151114093 SPYBZCHJACQRAR-SECBINFHSA-N 463.079 4.705 50 10 JJGE C[C@H](Br)C[C@@H]1CCCCN1C(=O)c1cc(I)ccc1F 2169664027 PXAIISQCMSJCHA-JQWIXIFHSA-N 454.121 4.599 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](O[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 2217090085 FIDGAOUZVIZYSC-RNJOBUHISA-N 463.278 4.547 50 10 JJGE Cc1ccc(C(=O)NC[C@@H]2CCCC[C@@H](Br)C2)cc1I 2232828649 SDQNYBLOXNFKRR-TZMCWYRMSA-N 450.158 4.673 50 10 JJGE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCCN(CCCCI)C1 2248251380 YBOFWGDSARIMDB-IAGOWNOFSA-N 450.405 4.703 50 10 JJGE COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)c1C 2294146956 KLORSCLHDZGSJC-UHFFFAOYSA-N 483.528 4.758 50 10 JJGE C[C@H]1OCC[C@@]1(CBr)Cc1ccc(I)c(Br)c1 2306232452 VANDJJXLGDBXTD-RNCFNFMXSA-N 473.974 4.786 50 10 JJGE CC(=O)Nc1sc(C(C#N)=Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)nc1-c1ccccc1 2314433892 WMIAYBXEBOTCCI-UHFFFAOYSA-N 490.566 4.740 50 10 JJGE N#CC(=Cc1ccccc1OCC(=O)Nc1nccs1)C(=O)Nc1sc2c(c1C#N)CCCC2 2314488560 LCDUMZGVGZJXOG-UHFFFAOYSA-N 489.582 4.518 50 10 JJGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCc1cc(F)ccc1C(F)F 2316335366 LZSBJCSGAMFEGB-QGZVFWFLSA-N 473.273 4.998 50 10 JJGE Clc1cc(I)c([C@H](Br)[C@H]2CCn3ccnc3C2)s1 2316605007 DRAMDGSTXAKINW-WRWORJQWSA-N 457.562 4.901 50 10 JJGE CC(C)[C@H]1C[C@@H](Br)CN1C(=O)c1cc(Br)sc1Br 2321384021 PHSYBJGXDBNHGC-VXNVDRBHSA-N 460.029 4.907 50 10 JJGE CC(C)Oc1cccc(C=NNC(=O)c2cccn(Cc3ccc(Cl)c(Cl)c3)c2=O)c1 2323651889 QHATUAFUECYJMF-UHFFFAOYSA-N 458.345 4.755 50 10 JJGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NN=Cc1cccc(Cl)c1Cl 2325903794 KOWGVGRMQWZHQL-UHFFFAOYSA-N 457.342 4.582 50 10 JJGE C[C@@H](Br)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2I)C1 2340060486 CVIXERRHQINZFT-NXEZZACHSA-N 456.549 4.580 50 10 JJGE Clc1ccc(CN2C[C@@H]3CCC[C@H](Br)[C@H]3C2)c(I)c1 2341059342 KATMQQMVNFFLEF-BPNCWPANSA-N 454.577 4.940 50 10 JJGE COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1C 10414025 RXHDWKPRKRQEAI-SYVPYPDPSA-N 472.593 4.843 50 10 JJGE N#Cc1ccc(/C=N/NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 12491288 LIJCKOPMSDDLDU-BHGWPJFGSA-N 487.151 4.766 50 10 JJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1 38658011 JIBJIQPOSJSLFO-RUZDIDTESA-N 454.482 4.697 50 10 JJGE Cc1ccnc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)c1 40823309 DBBHVMXDBORAGV-KNBZMSCYSA-N 494.367 4.533 50 10 JJGE COc1cccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)c1 40961184 YGSVCQYLIXUFQC-VULFUBBASA-N 499.361 4.574 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H]2CCCC[C@H]2Cl)cc1Br 155821915 JUOURLVJCZVDPB-GXFFZTMASA-N 459.631 4.596 50 10 JJGE COc1ccc(Cl)cc1N/C=C(/C#N)C(=O)Nc1ccc(I)cc1C 217253702 IXUCVDYEXXIJQW-BENRWUELSA-N 467.694 4.720 50 10 JJGE O=C(NCC1(CCl)CCCCC1)c1cc(I)ccc1Br 236015246 MCGGCXPKQKMRIN-UHFFFAOYSA-N 470.576 4.973 50 10 JJGE O=S(=O)(Nc1cc(I)ccc1Br)c1ccc(CCl)cc1 312315908 GLFHXKJXYCMUDL-UHFFFAOYSA-N 486.556 4.593 50 10 JJGE CC(C)(C)[C@H](Br)CNC(=O)c1cc(I)ccc1Br 324595615 GQYWIYVDWBSRJW-LLVKDONJSA-N 488.989 4.593 50 10 JJGE CCCOc1ccc([C@@H](Cl)c2cnn(C)c2I)cc1Br 379222022 UJAJETVKVWFWKW-CYBMUJFWSA-N 469.548 4.904 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2ccc(Br)c(O)c2)C1 382674432 KIAMGFWYUQNEKO-CVEARBPZSA-N 469.173 4.902 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](c2cc(Br)ccc2O)[C@@H](CI)C1 394737246 TWOZEPVWCGYBEP-GWCFXTLKSA-N 482.156 4.540 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)NC[C@H](C)C[C@@H](C)Br)cc1Br 398609039 XXMADSWKNMXYBQ-PSASIEDQSA-N 492.071 4.608 50 10 JJGE CC1(C)CC[C@@H](CBr)N(C(=O)c2cc(Cl)ccc2I)C1 701593576 DDATUBZKCPCGRD-NSHDSACASA-N 470.576 4.970 50 10 JJGE O=C(NCC1(CCl)CCCCC1)c1ccc(I)c(Br)c1 721570808 BDSSHXMOFMNMIX-UHFFFAOYSA-N 470.576 4.973 50 10 JJGE Cc1occc1C(=O)NC1CCN(C(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)CC1 727332979 OANCXGFFLUOJCX-JWGURIENSA-N 462.594 4.840 50 10 JJGE CC(=O)N(c1ccc(C)cc1)c1nc(C=NNC(=O)[C@@H](C)Nc2nc3ccccc3s2)cs1 917544263 APVGKOIIFFFRKF-OAHLLOKOSA-N 478.603 4.697 50 10 JJGE C=CCOc1cc(OC)ccc1C(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 1124423972 LRNZVBIQCJWRMP-UHFFFAOYSA-N 453.498 4.550 50 10 JJGE C/C(=C\c1ccccc1Cl)C(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1 1544389048 WDNUSDHZDIIAEP-UGOOHZPOSA-N 459.977 4.518 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(N(C)C)cc1)C(C#N)=C(N)O2 1865684183 VSRNBTJDKMNXRM-OAQYLSRUSA-N 478.394 4.871 50 10 JJGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1ccc(Cl)cc1 1865693924 RXUCBKIIGCFOAT-OAQYLSRUSA-N 450.926 4.519 50 10 JJGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccccn1 1865694414 XWVCSNSRKBZCRU-QFIPXVFZSA-N 465.513 4.560 50 10 JJGE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705593 ZSXMDJHAPOMSJU-QHCPKHFHSA-N 456.546 4.929 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1OC 1865707397 WAYDOOAKZSODRA-QGZVFWFLSA-N 476.842 4.780 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccccc1O 1865708270 SBVHLAAYFBRLEX-INIZCTEOSA-N 464.806 4.666 50 10 JJGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Br)cc1 1865709802 HDQHHKGGCXRFOO-INIZCTEOSA-N 491.267 4.880 50 10 JJGE CCc1ccc(OCCCC(=O)NNC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)cc1 1865759775 RLYUYDVWOASGDU-UHFFFAOYSA-N 453.489 4.518 50 10 JJGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 1873795239 DGMVTTGNKOOBAQ-WMPMWDHYSA-N 459.974 4.918 50 10 JJGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1Br 1915112232 ZJBUBGUDIQVWMI-ZDUSSCGKSA-N 479.209 4.953 50 10 JJGE O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)N/N=C/c1c(F)cccc1Cl 2033817511 NJGNQRRYTNJSSM-TWKHWXDSSA-N 478.999 4.727 50 10 JJGE C[C@H](NC(=O)c1cc(Br)c(Br)s1)[C@@H]1CCC[C@@H]1Br 2048891008 KKGYHJLNTGLZKO-FXQIFTODSA-N 460.029 4.955 50 10 JJGE C[C@@]1(CBr)CC(F)(F)CN1C(=O)c1cc(Br)sc1Br 2102795568 STDNPZLWBHMIKM-JTQLQIEISA-N 481.982 4.908 50 10 JJGE Cc1c(I)cccc1-n1c(CCl)nc2cncc(Br)c21 2151790699 RARNRLYPFZPDOL-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2184579260 YPMDGVMACWJRMC-YHPBZONMSA-N 466.011 4.990 50 10 JJGE C[C@@H](Br)[C@H]1CCCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2193587183 SXWLPRXXUDEIHE-RDDDGLTNSA-N 466.022 4.692 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccccc1C#N 2294187447 POHOPKOGEXDBCH-UHFFFAOYSA-N 476.536 4.893 50 10 JJGE O=C(c1cc(Br)sc1Br)N1[C@H]2CC[C@@H]1C[C@H]2CBr 2309693994 KRMAULKJGUDAPQ-OOZYFLPDSA-N 458.013 4.661 50 10 JJGE O=S1(=O)CC[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315461486 SZHYHJGFFNPPBT-XPUUQOCRSA-N 485.394 4.627 50 10 JJGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccccc2C)cc1 2328826136 FPWMDAOJKYCIIA-QFIPXVFZSA-N 471.623 4.671 50 10 JJGE C=CC[C@@H](Br)[C@H]1CCN1C(=O)c1ccc(I)c(Br)c1 2335818266 PZVGXVIHYYQBOW-ZWNOBZJWSA-N 498.984 4.608 50 10 JJGE CC[C@@]1(C)[C@@H](Br)CCN1C(=O)c1ccc(Cl)cc1I 2340065786 WQNIZCQULAGBQO-JSGCOSHPSA-N 456.549 4.723 50 10 JJGE CCN(C[C@](C)(CI)OCC1CC(OC)(C(F)F)C1)C(=O)OC(C)(C)C 2340634396 JVCVIIDPWYQPGC-VXVMZULRSA-N 491.357 4.514 50 10 JJGE C=CC[C@H](Br)[C@@H]1CCN1c1ncc(C(F)(F)F)cc1I 2360981580 PZDAAEVAWCVYNX-ONGXEEELSA-N 461.063 4.623 50 10 JJGE N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc2c(c1)OCO2 3654449 MLGCSCNCKPVWNB-XHCCPWGMSA-N 486.531 4.874 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)ccc1OC(=O)c1ccco1 8569246 IGJFOUMGDNFNEY-QFIPXVFZSA-N 482.496 4.814 50 10 JJGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)COc1ccc(Br)c(C)c1 10683528 PSGZMDWTIYIVQH-YWZLYKJASA-N 477.399 4.655 50 10 JJGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)OC2=C1S(=O)(=O)N(Cc1ccccc1)c1ccccc12 20558253 UOAPCHFOAMEZNM-XMMPIXPASA-N 485.565 4.612 50 10 JJGE N#C/C(=C/c1ccccc1OCC(=O)Nc1nccs1)C(=O)Nc1ccc2ccccc2c1 35519745 ABFGWMWRZGYQMF-MOSHPQCFSA-N 454.511 4.859 50 10 JJGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 38654130 MAZNYJWCWGZADO-IVCQMTBJSA-N 485.496 4.748 50 10 JJGE O=C(NNc1ncnc(Oc2ccc3ccccc3c2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40586660 RLSZNDZNGLXCSP-UHFFFAOYSA-N 480.824 4.649 50 10 JJGE COc1c(Br)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1[N+](=O)[O-] 59303755 XTVSOSGHDHPCIM-DNTJNYDQSA-N 497.099 4.639 50 10 JJGE Cc1sc(C(=O)NN)cc1COc1c(Br)cc(Br)cc1Br 123350974 YFUPMYYTNMWZNJ-UHFFFAOYSA-N 499.022 4.527 50 10 JJGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1 206415990 FZKXYTMVIKDFDQ-CYVLTUHYSA-N 480.546 4.508 50 10 JJGE COc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccccc1C#N 254852689 KBAHAJCVLDPYIL-UHFFFAOYSA-N 491.547 4.532 50 10 JJGE O=S(=O)(Nc1ccc(I)c(Br)c1)c1cccc(CCl)c1 383237304 SGJMEFLKMMHLFY-UHFFFAOYSA-N 486.556 4.593 50 10 JJGE ClCCc1nc2cc(I)ccc2n1Cc1cnc(Br)s1 718873282 HWQQOZKNXGCXCB-UHFFFAOYSA-N 482.572 4.690 50 10 JJGE C#Cc1cccc(NC(=S)NNC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)c1 1303280793 PONWFFJIWQUGOE-UHFFFAOYSA-N 456.502 4.760 50 10 JJGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NCc3ccccc3Cl)c(C)c21 1772746008 NSDDEVNNBKYQCK-UHFFFAOYSA-N 465.937 4.650 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cc(C)ccc1O)C(C#N)=C(N)O2 1865687305 OCVOEIOQDLLEKO-OAQYLSRUSA-N 452.917 4.909 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1ccccc1[N+](=O)[O-] 1865709741 FXRMUWMMGVICSV-QFIPXVFZSA-N 467.460 4.864 50 10 JJGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1865759825 UGNAXCFKCZDGOH-NYYWCZLTSA-N 471.300 4.746 50 10 JJGE COc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1OC 1872759025 BDWVHULNZVSLDJ-HKWRFOASSA-N 454.504 4.803 50 10 JJGE COc1ccc(Br)cc1[C@H](Br)c1c(Br)c(C)nn1C 1877175153 LBORKWIHJKQOFS-LBPRGKRZSA-N 452.972 4.746 50 10 JJGE Brc1ccc([C@@H](Br)c2cc(I)sn2)cc1 1909889566 RYIBHNDBNBBHDQ-SNVBAGLBSA-N 458.944 4.995 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(Br)c(Cl)c1 2061268078 NVAOECMHUYABFA-UHFFFAOYSA-N 469.854 4.738 50 10 JJGE O=C(N[C@H]1CCC[C@@H]1CCBr)c1cccc(Br)c1Br 2092334078 FUCRZEDBIWSLRY-SKDRFNHKSA-N 454.000 4.895 50 10 JJGE O=S(=O)(c1cc(CCl)sc1Br)N(Cc1ccccc1)CC1CCOCC1 2095813726 MEOKMWMEWIAJGE-UHFFFAOYSA-N 478.861 4.867 50 10 JJGE C[C@@H]1C[C@@H](Br)CCN(C(=O)c2cc(Cl)ccc2I)C1 2103288843 VLKJLBOCZLGJRH-ZJUUUORDSA-N 456.549 4.580 50 10 JJGE CCOc1ccc(Br)cc1[C@H](Br)c1cn(C)nc1Br 2116554553 MBCGQSZCWCZKAI-LBPRGKRZSA-N 452.972 4.828 50 10 JJGE CC1(C)CCCN(C(=O)c2cc(Cl)ccc2I)[C@H]1CBr 2185805630 GFBSKXAHUOSHEM-ZDUSSCGKSA-N 470.576 4.970 50 10 JJGE F[C@@H](COc1c(Br)cc(Br)cc1CBr)[C@H]1CCOC1 2229949907 OSFCXKXXKBVLDE-UFBFGSQYSA-N 460.963 4.860 50 10 JJGE Fc1cccc([C@@H](CI)OCCOCCOCCOCc2ccccc2)c1 2236088560 ISMSRIVNZFWSRV-OAQYLSRUSA-N 488.337 4.568 50 10 JJGE O=C(NN=Cc1cc(Cl)ccc1O)C(=Cc1cccs1)NC(=O)c1ccccc1Cl 2293968630 LIRMWZLLIGEZRH-UHFFFAOYSA-N 460.342 4.682 50 10 JJGE C[C@@H]1C[C@H](Br)CN(Cc2ccc(I)c(Br)c2)C1 2306224794 TUYCQBLWPWSLIO-KOLCDFICSA-N 472.990 4.659 50 10 JJGE N#CC(=CN1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325382829 HCXPVQVUAWCIHX-UHFFFAOYSA-N 452.839 4.666 50 10 JJGE CC(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)cc2C1=O 2331279645 ZRLHBPLSGKMUTM-UHFFFAOYSA-N 460.471 4.673 50 10 JJGE COc1cc([C@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)cc(OC)c1OC 9693364 RHOIQLXBXWXHDA-QGZVFWFLSA-N 471.966 4.585 50 10 JJGE CN(C)c1ccc2c(c1)[S@](=O)S[C@@]2(c1ccccc1)c1ccc(N2CCOCC2)cc1 15776414 AFBYYCFQHHQJLE-FKAPRUDGSA-N 450.629 4.651 50 10 JJGE O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1ccc(Br)cc1 20457346 HBLGBSWLAQTHEZ-ODCIPOBUSA-N 462.247 4.619 50 10 JJGE O=C(N/N=C\c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc([N+](=O)[O-])cc1 33679490 JLVDTWVANKPDME-MSXFZWOLSA-N 458.257 4.885 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@@H]1c1cccc(Br)c1 38651558 OQJCJMPEDCFRDO-QHCPKHFHSA-N 461.315 4.815 50 10 JJGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1 40813474 JVFVHQKQRPZDJL-OVVQPSECSA-N 496.907 4.881 50 10 JJGE Cc1c(C(=O)NC(C)(C)C)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816286 DIESPUCBCMNINP-CVKSISIWSA-N 466.365 4.659 50 10 JJGE C=CCc1cccc(/C=N/NC(=O)CCCSc2nc3ccc([N+](=O)[O-])cc3s2)c1O 58988360 PLYRTTBOERJZFM-LPYMAVHISA-N 456.549 4.661 50 10 JJGE CCCCCCCCOc1ccc(/C=C2/C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1OC 101335470 XCBQQSRJVBVDNG-LTGZKZEYSA-N 454.567 4.673 50 10 JJGE COc1ccc(N/C=C(/C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1OC 102934663 KCNUGZBEESKEET-KAMYIIQDSA-N 476.470 4.818 50 10 JJGE N#C/C(C(=O)Cn1cnc2scc(-c3ccc([N+](=O)[O-])cc3)c2c1=O)=C1\Nc2ccccc2S1 103908129 QBNHZTBPQULZTJ-QNGOZBTKSA-N 487.522 4.555 50 10 JJGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)C1=O 214352858 LCTIEDGJEJBOIJ-BEXDPUPVSA-N 476.536 4.641 50 10 JJGE C[C@H](Br)C1CCN(C(=O)c2cc(Br)c(Br)s2)CC1 235460746 UDGPDMYMPLWKAC-ZETCQYMHSA-N 460.029 4.909 50 10 JJGE O=c1[nH]c2ccc([C@@H](Cl)c3cc(I)ccc3Br)cc2[nH]1 236048724 RSHIVKQKWMQPPV-CYBMUJFWSA-N 463.500 4.552 50 10 JJGE Cc1ccc(NCc2nnc(SCC(=O)NN=Cc3ccc(F)cc3)n2-c2ccccc2)cc1 252606382 GSQJFQHJYPPYFR-UHFFFAOYSA-N 474.565 4.569 50 10 JJGE COc1ccc([C@@H](Br)c2sccc2I)c(OC)c1OC 312468725 WYIKNYUJGFXJRM-LLVKDONJSA-N 469.138 4.863 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2ccc(Br)nc2)C1 382699009 BVBHNMXDVBYUFN-HOTGVXAUSA-N 454.162 4.591 50 10 JJGE BrCc1ccc(N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)c(Br)c1 404202805 SBJDCTPTEXNEDL-RTWAWAEBSA-N 480.244 4.824 50 10 JJGE Cc1cccc(C(=O)N[C@@H]2C[C@@H](Br)CC(C)(C)C2)c1I 693893067 MWRUBNAUGGFQLG-VXGBXAGGSA-N 450.158 4.672 50 10 JJGE C[C@H](Br)[C@@H]1CCCN(C(=O)c2cc(Br)sc2Br)C1 708415474 OVBLQRJWZBFUIA-JGVFFNPUSA-N 460.029 4.909 50 10 JJGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3cn(C)c(Br)n3)c2O1 720044392 RKNZKKLBLKJTBX-KRTXAFLBSA-N 464.983 4.753 50 10 JJGE CC(=O)c1cc(Br)ccc1OCC(=O)NN(Cc1ccccc1)c1ccccc1 1526781104 SJQYGVITCNELRT-UHFFFAOYSA-N 453.336 4.769 50 10 JJGE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(Br)cc1Cl 1556866308 CDVHXSIJBUYFOQ-ZDUSSCGKSA-N 453.164 4.582 50 10 JJGE Cc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1[N+](=O)[O-] 1614696537 ZHNKERDVQKZCCO-MSOLQXFVSA-N 480.302 4.690 50 10 JJGE Cc1c(C(=O)Oc2ccccc2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747321 GCZVWOYXDLVEGE-UHFFFAOYSA-N 467.865 4.839 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1OC 1865694786 BPCSTYYLRMNPQH-IBGZPJMESA-N 486.450 4.525 50 10 JJGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)cc1 1865707092 NLMPYVMSXIOGJL-DEOSSOPVSA-N 480.524 4.783 50 10 JJGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865712051 OQJCDOIZTPGHRF-QFIPXVFZSA-N 498.942 4.530 50 10 JJGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 1865757276 VNAGYQFKFQTQCN-INIZCTEOSA-N 453.489 4.687 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCN4CCOCC4)c(OC)c3)n2)cc1C 1872780512 BKQPEVNSILDKIO-PXLXIMEGSA-N 491.613 4.911 50 10 JJGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C[C@@H](Br)C1 1882559177 RHVNFMLNFVOYEN-ZMPRRUGASA-N 471.395 4.592 50 10 JJGE CCC[C@H](CBr)CN1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1955956144 MNIWRKXTASCOFU-MRXNPFEDSA-N 464.445 4.502 50 10 JJGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)Cc1ccc(O)c(Br)c1 2003584880 UIRFJQJMYWEIFN-INIZCTEOSA-N 455.190 4.900 50 10 JJGE O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)N/N=C/c1c(O)ccc2ccccc12 2033817633 YSGGVWJCBVCXIW-AWSUPERCSA-N 492.623 4.793 50 10 JJGE Cc1cc(Cl)ncc1-n1nc(CBr)c(I)c1C(F)(F)F 2078930844 AKLCAIPQGQNQFS-UHFFFAOYSA-N 480.453 4.747 50 10 JJGE Cc1c(Cn2nc(CCl)c(I)c2C(F)(F)F)ccc(F)c1F 2079211679 XWWJFDCJJPBSAL-UHFFFAOYSA-N 450.576 4.880 50 10 JJGE C[C@@H]1CC[C@H](CBr)N(C(=O)c2c(Br)cccc2Br)C1 2110612707 PBRVWVSANOIBAY-NXEZZACHSA-N 454.000 4.847 50 10 JJGE O=C(NCC[C@@H]1CCC[C@H]1Cl)c1ccc(Br)cc1I 2142282529 FMMKRNZGHUKJAV-JOYOIKCWSA-N 456.549 4.581 50 10 JJGE CC(C)(CBr)[C@H]1CCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2155840631 PHRGYDJACJWZEA-SECBINFHSA-N 465.660 4.738 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@H]2CCC[C@]2(CBr)C1 2159405106 NLIFMGFBGLJPFE-BMIGLBTASA-N 466.011 4.849 50 10 JJGE Cc1cc(CBr)ccc1S(=O)(=O)N(Cc1ccccc1)[C@H]1COC(C)(C)C1 2179775864 PADBOBPRZYYPLY-LJQANCHMSA-N 452.414 4.648 50 10 JJGE CC1(C)C[C@@](C)(CCl)CN1C(=O)c1cc(Br)ccc1I 2199541632 SZXCNKCUEHQMAG-HNNXBMFYSA-N 470.576 4.923 50 10 JJGE BrC[C@@H]1C[C@@H]2OCCN(Cc3c(Br)cccc3Br)[C@H]2C1 2199764305 CISCPKRAJSFVQQ-LKTVYLICSA-N 468.027 4.586 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Cl)C2)c1cc(Br)ccc1I 2204565407 VHSCEEZPHSUPBQ-VWBVRBGYSA-N 468.560 4.580 50 10 JJGE O=C(N[C@H](CCCl)C1CCCC1)c1ccc(Br)cc1I 2207261754 MVDIENNWKUIBQW-CQSZACIVSA-N 470.576 4.971 50 10 JJGE CCC[C@@H](Br)c1cn(-c2ccc(Br)cc2I)nn1 2223625434 DPNDSFDZTMPHES-SECBINFHSA-N 484.961 4.871 50 10 JJGE CCn1nc(C)c(CBr)c1Oc1ccc(OC)c(I)c1 2281395048 YOHFRHBPUGUKHL-UHFFFAOYSA-N 451.102 4.512 50 10 JJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)C=Cc3ccc(F)cc3)cc2)cc1 2313615882 FZNZQOQMYPFXNA-UHFFFAOYSA-N 459.521 4.850 50 10 JJGE CC(C)(CI)CN1CCC[C@@H]([C@H]2CCCCN2C(=O)OC(C)(C)C)C1 2326671406 CZMQMBLYIQLAGB-IAGOWNOFSA-N 464.432 4.949 50 10 JJGE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C[C@@]1(CBr)CC1(F)F 2326919407 MJEBGGZCPMHTOI-GGPKGHCWSA-N 459.375 4.918 50 10 JJGE O=C(COc1ccc(Br)cc1)NNC(=O)N1c2ccccc2Sc2ccccc21 13988887 UVPBGOVYYPBXCV-UHFFFAOYSA-N 470.348 4.872 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14034704 ULVJSBVDWGEALY-UHFFFAOYSA-N 491.426 4.649 50 10 JJGE N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)Nc1sc2c(c1C#N)CCCC2 14151850 DVIGHGWSSFMSFZ-LFYBBSHMSA-N 456.321 4.535 50 10 JJGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)c1 38684404 OLONQGGFWVHRBO-XMMPIXPASA-N 471.469 4.821 50 10 JJGE O=C1CCc2cc([C@H](Br)c3ccccc3I)c(F)cc2N1 40289433 ZSCAUHVHBAGSHL-MRXNPFEDSA-N 460.084 4.799 50 10 JJGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816151 JPTMTVIFPPGWDT-ZXVVBBHZSA-N 451.910 4.729 50 10 JJGE COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2cccc(F)c2)cc1OC 59435269 NDXHLPNNDBCOLZ-LGJNPRDNSA-N 487.325 4.948 50 10 JJGE COc1cc(/C=N\NC(=O)c2ccccc2O)ccc1OCc1ccc(Br)cc1 83317686 JNCOTVNGGRKVTG-CFRMEGHHSA-N 455.308 4.506 50 10 JJGE O=c1[nH]c2cc(Br)c([C@@H](Cl)c3csc(I)c3)cc2[nH]1 124433976 PWNIGKZADCVOEG-NSHDSACASA-N 469.529 4.613 50 10 JJGE COc1ccc(C)cc1N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216493744 YJETXZJSYPWKBI-DAFNUICNSA-N 466.585 4.757 50 10 JJGE O=C(CCCCCCCCCCC(=O)NN=Cc1ccccc1O)NN=Cc1ccccc1O 254307117 FAGOEAWFQRZOHY-UHFFFAOYSA-N 466.582 4.599 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OC)cc3)cc2OCC)cc1 254850386 YYMQGNCUIYUEHK-UHFFFAOYSA-N 476.529 4.866 50 10 JJGE C/C(C=NNC(=O)C(=O)Nc1ccccc1I)=C\c1ccc(C(C)C)cc1 254866142 AIOXXLFDONWDQN-PDKLKJKLSA-N 475.330 4.559 50 10 JJGE O=C(NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1ccccc1[N+](=O)[O-] 1084117759 MBBPSRLCSAMUSU-UHFFFAOYSA-N 476.492 4.865 50 10 JJGE COc1ccc(CSCC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)cc1 1084321750 SDDIMDWMUQSTRP-UHFFFAOYSA-N 450.560 4.666 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865684658 UZYSYLAXJWWPAV-HSZRJFAPSA-N 498.514 4.678 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1OC 1865694825 CQJRYNXFERETSD-LJQANCHMSA-N 488.441 4.715 50 10 JJGE Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cccc(Br)c2)c(C(=O)O)c1 1866131788 NTRPFNGTPUQJIN-KPKJPENVSA-N 464.113 4.764 50 10 JJGE COc1c(Br)cc(Br)cc1/C=C(\C#N)S(=O)(=O)c1ccccc1 1872727231 HTVYFJUUOORBHL-RIYZIHGNSA-N 457.143 4.559 50 10 JJGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)Cc1cnn(Cc2ccccc2)c1 1915293111 ITSITAXYDPWUAC-HSZRJFAPSA-N 454.412 4.922 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H](Br)CC2(CC2)C1 1926031422 DRSYTUKNQUHEPE-ZETCQYMHSA-N 458.013 4.663 50 10 JJGE C[C@@H]1C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 1985347459 SGEBPEHJSGJXTQ-SJORKVTESA-N 463.710 4.518 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@H](Br)[C@@H]2CC[C@H]21 2133723836 SKBJPZLVRUYURE-TVYUQYBPSA-N 451.984 4.600 50 10 JJGE Cc1cc(C(=O)N[C@@H](C)CCCCCI)ccc1I 2142139779 AYYWYYYDTPIYHS-LBPRGKRZSA-N 485.147 4.713 50 10 JJGE CC1(C)C[C@H](Br)C[C@H](NC(=O)c2cc(I)ccc2F)C1 2169668092 MIJCXQKTTUMAJT-KOLCDFICSA-N 454.121 4.502 50 10 JJGE CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccc(CBr)cc2)CC[C@@H]1C(F)(F)F 2182845798 VHNTVNOTQMMDTQ-HOTGVXAUSA-N 451.327 4.859 50 10 JJGE Cc1cc(C(=O)N(C)C2(CBr)CC(C)(C)C2)ccc1I 2207107145 ORMBJYFHZDDVCP-UHFFFAOYSA-N 450.158 4.625 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](Br)[C@H](OCc2c(F)cc(Br)cc2F)C1 2250054341 FDWMOQCGUQIXLL-BXUZGUMPSA-N 471.136 4.627 50 10 JJGE CC1(C)C[C@@](C)(CBr)CN1C(=O)c1ccc(Cl)c(I)c1 2283652415 UUKIMXNGCUSHGM-HNNXBMFYSA-N 470.576 4.970 50 10 JJGE CC(C)N(C[C@H]1CCCCN1C(=O)OC(C)(C)C)CC(C)(C)CI 2306817521 ABFMLHQEEDNNBT-MRXNPFEDSA-N 452.421 4.948 50 10 JJGE CN(Cc1ccc(I)c(Br)c1)[C@H](CCBr)C(F)F 2325231922 XLBVTSKWUVGFOR-LLVKDONJSA-N 496.959 4.904 50 10 JJGE O=C(N[C@@H](CBr)C1CCCC1)c1ccc(Cl)cc1I 2340057851 OJEAKURCSWGURZ-ZDUSSCGKSA-N 456.549 4.628 50 10 JJGE CC(C)C[C@H](CBr)CN=[S@]1(=O)CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 2353824700 NFFQGMSLQUPWNL-RUHBRDOYSA-N 451.471 4.685 50 10 JJGE O=C(NCC(F)(F)C(F)(F)CBr)c1cccc(Br)c1Br 2361670537 RPMYCERDSXKGBV-UHFFFAOYSA-N 485.895 4.607 50 10 JJGE CC1(C)CCN(C(=O)c2ccc(Cl)cc2I)C[C@@H]1CBr 2365598450 QLIHHDHAOJUGML-JTQLQIEISA-N 470.576 4.828 50 10 JJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1 14029092 RDTFTBPGMMAYJS-UHFFFAOYSA-N 498.432 4.667 50 10 JJGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)c1 14644892 MMNPHWMANBODOU-UHFFFAOYSA-N 476.023 4.929 50 10 JJGE Cc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3sc4c(c3C(N)=O)CCCC4)cc2)cc1 35057994 DCLMDFKOGPGNPN-RGEXLXHISA-N 485.565 4.799 50 10 JJGE C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1cccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)c1 35242051 YEXSDQJWSVTYMB-HIPLAHQESA-N 458.606 4.890 50 10 JJGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C)c(C)c3)ccc21 38650536 HOJAXMXSWRFVBI-MHZLTWQESA-N 470.525 4.905 50 10 JJGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)cc1 40825898 YBEXFMKYMVBBIV-MWAVMZGNSA-N 468.513 4.868 50 10 JJGE CCN(CC)c1oc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Sc1ccccc1[N+](=O)[O-] 89969089 QFPOMYRJEWPJRB-OEAKJJBVSA-N 483.506 4.857 50 10 JJGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C)c(C)c1 101241983 MVKRGFOGYZRWNO-YWDBVWQESA-N 496.430 4.794 50 10 JJGE COc1cc(F)c([C@@H](Br)c2ccc(I)cc2)cc1OC 109884857 QLNVHIYAABLTRJ-HNNXBMFYSA-N 451.073 4.932 50 10 JJGE COc1cc(C=NNC(=O)c2c(-c3ccccc3)noc2C)ccc1OC(=O)c1cccs1 252614929 JNKRBMCBJPAUPB-UHFFFAOYSA-N 461.499 4.703 50 10 JJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc4ccccc4c3)cc2)cc1OC 254520945 WHNKLRIJQGYEBQ-UHFFFAOYSA-N 484.508 4.605 50 10 JJGE O=C(N[C@H]1CCC[C@H](CBr)C1)c1ccc(Br)cc1Br 311391096 CZRXDXTZEKPMLT-ONGXEEELSA-N 454.000 4.895 50 10 JJGE O=C(N[C@H](CCBr)C1CCCCC1)c1sccc1I 725062512 WSWRXAPMHQWGAS-GFCCVEGCSA-N 456.187 4.816 50 10 JJGE CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NN=Cc2ccccc2Cl)cc1 725416205 CYVMILOJVUEOMC-UHFFFAOYSA-N 476.385 4.724 50 10 JJGE COc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1 1084266702 XGBFYVAINBLUIE-UHFFFAOYSA-N 487.325 4.948 50 10 JJGE COc1ccc(C)cc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2ccccc2C(F)(F)F)c1C 1084411508 PQIHTPCMKDQETR-UHFFFAOYSA-N 472.467 4.519 50 10 JJGE CCOc1c(Br)cc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1OC 1772753727 FLBXOMBFGDNCQS-UHFFFAOYSA-N 469.763 4.656 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)ccc1O 1865681143 FZTBLOLYLJMGSZ-XMMPIXPASA-N 464.525 4.921 50 10 JJGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN3CCc4c(F)cccc4[C@@H]3C2)n1 1868253056 BCACLMMEOSBPLJ-QHCPKHFHSA-N 490.608 4.541 50 10 JJGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1ccc(CBr)c(Cl)c1 1912991505 APFZLSQEZSHEMQ-UHFFFAOYSA-N 458.743 4.649 50 10 JJGE CC(C)(C)OC(=O)N1CCN(C[C@@H](CBr)C2CCC2)CCN1C(=O)OC(C)(C)C 1959577174 YKVPEDFGNMFUKW-QGZVFWFLSA-N 476.456 4.502 50 10 JJGE CS(=O)(=O)C1([C@H](Br)c2cc(Br)c(Br)s2)CCC1 2001803801 ABKNWMZRMRMMEH-MRVPVSSYSA-N 467.042 4.676 50 10 JJGE CC1(C)[C@H](Br)CC[C@H]1NC(=O)c1cc(Br)c(Br)s1 2086023666 GNVNZEDKIUMGQD-RKDXNWHRSA-N 460.029 4.955 50 10 JJGE BrCc1cc(Br)c(OC[C@@H]2[C@@H]3CCOC[C@H]32)c(Br)c1 2093711361 SJGKOORYYJDDTE-GMTAPVOTSA-N 454.984 4.768 50 10 JJGE O=C(NC[C@@]12CCC[C@@]1(CBr)C2)c1cc(Br)c(Br)s1 2142939572 HZLYVVLJQRSKAF-STQMWFEESA-N 472.040 4.958 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 2218414560 TUWOTFORZPZEGZ-GUDVDZBRSA-N 489.748 4.908 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H](Br)CCC12CC2 2227508214 ZUIBOCVGRARNAQ-SNVBAGLBSA-N 451.984 4.744 50 10 JJGE BrC[C@]12CCCO[C@H]1CN(Cc1c(Br)cccc1Br)C2 2239163853 RDTGIMDLTDCQRT-GJZGRUSLSA-N 468.027 4.588 50 10 JJGE O=C(c1sccc1I)N1C[C@H](Br)C[C@H]2CCCC[C@H]21 2264832520 UYEMAYBBZZIYPZ-CKYFFXLPSA-N 454.171 4.521 50 10 JJGE CC(C)(C)OC(=O)N1CCC12CCS(=O)(=NCCCCCCCBr)CC2 2277448269 KYBHKFONTJXCQG-UHFFFAOYSA-N 451.471 4.973 50 10 JJGE CC(C)CN(C[C@@H](C)Br)c1ncc(C(F)(F)F)cc1I 2287954923 JRXKXRWFXMNEAQ-SECBINFHSA-N 465.095 4.951 50 10 JJGE COc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(Cl)cc1 2313568518 WKHMHUUMIFGFEO-UHFFFAOYSA-N 496.732 4.527 50 10 JJGE CCc1ccc(-c2ccc(C(=O)NN=C(C)c3ccc4c(c3)N(C)C(=O)[C@H](C)O4)c(C)n2)cc1 2321274891 VZBVNEVQISQZDQ-SFHVURJKSA-N 456.546 4.517 50 10 JJGE BrCC(CBr)(Cc1ncc(I)cn1)C1CCCC1 2327888951 CFLWCXQBOKLDJG-UHFFFAOYSA-N 488.005 4.590 50 10 JJGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)COc1ccc(Br)cc1C 10683651 QCUFRUJSFFBXHV-KXBFYZLASA-N 477.399 4.655 50 10 JJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 12581468 IJFNZMZSMRIISX-JTQLQIEISA-N 493.174 4.634 50 10 JJGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)cc1 33622232 MRSYZPNLCNVOOX-SDXDJHTJSA-N 484.487 4.879 50 10 JJGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2F)cc1 38652266 POUNQEUSLBVVCF-CPJLOUKISA-N 458.489 4.979 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1OC 38658502 IRXWMPVVBSQTPN-AREMUKBSSA-N 486.524 4.523 50 10 JJGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1NC(c1ccccc1)c1ccccc1 40783660 KROHNEJJFPVGTF-UHFFFAOYSA-N 489.377 4.780 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccccc2OCc2cccc([N+](=O)[O-])c2)cc1 58895493 KKXKVIOGVUNCKD-UFVRDYMVSA-N 477.517 4.536 50 10 JJGE COc1cccc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)c1OCc1ccc(Cl)cc1 96438806 VFBLSHJTHWQYQN-NDENLUEZSA-N 476.916 4.880 50 10 JJGE CCCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(N)=O)cc2OC)cc1OC 206505059 FGBYDBSLJHIVIM-VWDAIKGWSA-N 478.545 4.674 50 10 JJGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OC(C)C)c(OC)c2)c(OCC)c1 207008285 KWDMEYQQAXBYIF-IXDZKQDKSA-N 479.529 4.970 50 10 JJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OCCC(C)C)c(OCC)c2)C1=O 214302173 HQJJLCNNSBYSGY-QNGOZBTKSA-N 454.567 4.529 50 10 JJGE CC[C@@H](NC(=O)/C(C#N)=C\NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCCC2 217192782 NRZDGZWUBUJEEQ-OAANICDFSA-N 456.634 4.794 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CCCC[C@H]1CCBr 232453976 ABYKZCDXKPCTEC-NSHDSACASA-N 454.000 4.991 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cccc(C)c3)cc2OCC)cc1 254497096 HQLDSOKPQXSPDA-UHFFFAOYSA-N 476.529 4.541 50 10 JJGE Cn1cc(Br)c([C@@H](Br)c2cc(Br)cc3c2OCCC3)n1 688386191 NNQZXQIAMOIPCT-LBPRGKRZSA-N 464.983 4.754 50 10 JJGE CC(=NNC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1ccc(Cl)cc1 1083908851 AGMFPXVWXGJWES-UHFFFAOYSA-N 461.009 4.812 50 10 JJGE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1 1666537838 RGLSLVCXPZLYLH-UHFFFAOYSA-N 454.442 4.585 50 10 JJGE C[C@@H](Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccccc1Cl 1858687102 HKSNXEDBNHLAIF-GFCCVEGCSA-N 474.832 4.799 50 10 JJGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865697987 HMBDUKDJOARCDP-QFIPXVFZSA-N 462.937 4.527 50 10 JJGE COCCOc1ccc(/C=C(\C#N)C(=O)NC2(c3ccc(Br)cc3)CCC2)cc1 1866213736 AFHNXIIFZMGBOY-OBGWFSINSA-N 455.352 4.577 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1 1866938039 FTLHDQHZRVUQGL-SMIHKQSGSA-N 459.546 4.869 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@H](Br)CCc1cccc(F)c1Br 1905345077 YDLBPESZQPUZRF-GFCCVEGCSA-N 455.121 4.581 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@]2(CCC[C@H]2Br)C1 1918960543 FONCQRROWWJENG-IUODEOHRSA-N 466.011 4.991 50 10 JJGE O=C(N[C@@H](CBr)c1cscn1)c1cc(Br)sc1Br 2055478807 FJZFNYZIXSYCGV-LURJTMIESA-N 475.025 4.596 50 10 JJGE COc1cc(Br)c(C)cc1[C@H](Br)c1c(Br)cnn1C 2089722212 HLYYGJMEWVLUPK-LBPRGKRZSA-N 452.972 4.746 50 10 JJGE CC1(C)CC[C@H](Br)CN1C(=O)c1cc(Br)cc(Br)c1 2099879416 LGNOFXWSNOKJEO-JTQLQIEISA-N 454.000 4.990 50 10 JJGE O=C(c1sccc1I)N1CCCC12CCC(Br)CC2 2137571071 GXADOCSBVKWEMM-UHFFFAOYSA-N 454.171 4.665 50 10 JJGE C[C@@H]1CN(c2ncc(C(F)(F)F)cc2I)CC[C@@H]1CBr 2165344546 PFFWVPIMVAJKBP-RKDXNWHRSA-N 463.079 4.562 50 10 JJGE CCc1ccc(S(=O)(=O)N(CCCCOC)Cc2ccccc2)cc1CBr 2179860726 WUSFQFPTLZUEJF-UHFFFAOYSA-N 454.430 4.761 50 10 JJGE Cc1cc(C(=O)N2CC[C@H](Br)CC(C)(C)C2)ccc1I 2207107746 KQZDCBLYGNVIJF-ZDUSSCGKSA-N 450.158 4.625 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CC[C@@H]2C[C@H](Cl)CC[C@@H]21 2207260880 IPNFHXDXIRZKIJ-UDZFHETQSA-N 468.560 4.676 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OC2CCC(C(F)(F)F)CC2)C1 2217090082 FIDGAOUZVIZYSC-FIYWTHMPSA-N 463.278 4.547 50 10 JJGE O=C(N[C@H]1CC[C@H](CBr)CC1)c1ccc(Cl)c(I)c1 2268342908 HMVBBRNSPMYCIX-HOMQSWHASA-N 456.549 4.628 50 10 JJGE COc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3)C(=O)N2c2ccccc2)cc1 2296834493 YTRPFSYWQBYOIH-HSZRJFAPSA-N 455.539 4.760 50 10 JJGE Ic1cccc(CO[C@H]2CCCCC[C@H]2I)c1 2302690675 NPQOLIFAKMYUFJ-KGLIPLIRSA-N 456.105 4.944 50 10 JJGE O=C(N[C@H]1CC[C@@H]2C[C@]12CBr)c1cc(Br)c(Br)s1 2310668881 USHARZKXYMZKKU-PUQNFTFYSA-N 458.013 4.567 50 10 JJGE N#CC(=Cc1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 2313568668 XSYZERDRZMYOAC-UHFFFAOYSA-N 471.564 4.817 50 10 JJGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1nccs1 2314488718 MWRNECPBJXKUEH-UHFFFAOYSA-N 476.558 4.838 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@@H](Br)[C@H]2CC[C@H]21 2331940978 PPXMQKYXOGBHHL-JHJVBQTASA-N 451.984 4.600 50 10 JJGE CC(C)(C)OC(=O)NC1CC(C[S@](C)(=O)=NC[C@](C)(CBr)C(C)(C)C)C1 2352114878 BLSXZARPGIKQTK-QAMJTRMESA-N 453.487 4.835 50 10 JJGE CN(Cc1c(Br)cccc1Br)CC1(CBr)CCOCC1 2366183179 RRSWQSANDRGLIE-UHFFFAOYSA-N 470.043 4.835 50 10 JJGE F[C@]12CCC[C@]1(CCl)CN(Cc1ccc(I)c(Br)c1)C2 2377313439 ITRMFXGXHOZYAI-GJZGRUSLSA-N 472.567 4.987 50 10 JJGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1 14037204 RDOSTDCWTZERCZ-UHFFFAOYSA-N 461.587 4.728 50 10 JJGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCOC)c1 35446755 DWBJJDSCXQXLGI-XLNRJJMWSA-N 458.562 4.778 50 10 JJGE N#C/C(=C(\c1ccc(-c2ccccc2[N+](=O)[O-])o1)N1NC(=O)CC1=N)c1nc2ccccc2s1 104505038 PAIBVCAEYBITDJ-JNJPMYRJSA-N 470.470 4.571 50 10 JJGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)OC)cc2OC)cc1OCC 207294789 GTGRNQXAHXRMIL-YJXVQIIVSA-N 479.529 4.972 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H](Br)C1)c1cc(Br)c(Br)s1 227754008 WEJCKFNLECWHRM-HTQZYQBOSA-N 460.029 4.957 50 10 JJGE CCC(CC)(CBr)CNS(=O)(=O)c1cc(Br)ccc1Br 230256904 SEEMIRRWFUYFEA-UHFFFAOYSA-N 492.071 4.691 50 10 JJGE CC(=NNC(=O)c1ccncc1)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 254379016 JSXBHYNKUPXSBU-KRWDZBQOSA-N 450.926 4.603 50 10 JJGE CC(=NNC(=O)c1ccc(Br)o1)c1cccc(NC(=O)/C=C/c2ccccc2)c1 254404920 ZOKHCNAGZPKTAN-QZSJVAFHSA-N 452.308 4.848 50 10 JJGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc(O)cc3)nnc2-c2ccc(C)cc2)cc1 254516242 AWLONABKJKKNKX-UHFFFAOYSA-N 487.585 4.589 50 10 JJGE Cc1c(CC(CBr)(CBr)c2ccc(Br)cc2)cnn1C 708381289 MPIPURQQXXAFKM-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)NCc2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1Cl 1084057157 KBOOBJMZSDVXSK-UHFFFAOYSA-N 477.779 4.821 50 10 JJGE CC(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccc(C)cc2)cc1 1084398422 FYKWUYZZOIRSBD-UHFFFAOYSA-N 494.345 4.699 50 10 JJGE COC(=O)c1ccc(Cl)c(-c2ccc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)o2)c1 1084495004 VBMDJSHLRYUPHZ-XDJHFCHBSA-N 475.932 4.642 50 10 JJGE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 1564675936 YMAFNBKJDXJHJK-NQIIRXRSSA-N 459.999 4.558 50 10 JJGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OC)c(O)c1)C(C#N)=C(N)O2 1865682737 WNSVUTXWVJKVLI-XMMPIXPASA-N 452.514 4.910 50 10 JJGE CCc1nn(-c2ccccn2)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865706261 RMYAMAMUDOKGGE-VWLOTQADSA-N 493.567 4.944 50 10 JJGE COc1ccc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1OCc1ccc(C)cc1 1873795667 WLMYMLRAXZLJAD-HGQHNSGJSA-N 469.582 4.582 50 10 JJGE CC(C)CN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2C1=O 1873940905 MOIQZHHYSHKLCQ-VZCXRCSSSA-N 474.498 4.920 50 10 JJGE O=C(Nc1cc(Br)c(Br)c(Br)c1)[C@H]1C[C@H]1Br 1897161155 DNCLPRDJLQSTKM-NTSWFWBYSA-N 476.788 4.696 50 10 JJGE COc1cc(C=C(C#N)c2nnc3n2CCCCC3)ccc1OC(=O)c1ccc2ccccc2n1 2042453426 IKQLLYJVZQOTIO-UHFFFAOYSA-N 465.513 4.845 50 10 JJGE O=S1(=O)C[C@H]2C([C@H](Cl)c3c(Br)sc(Br)c3Br)[C@@H]2C1 2054217078 FWTDQVYTOWSFSW-ZFSUVSKUSA-N 499.471 4.606 50 10 JJGE CCN1CCC[C@@H]([C@H](Br)c2cc(Br)sc2Br)S1(=O)=O 2089534382 FSIRJQXQYQFJLH-WCBMZHEXSA-N 496.084 4.523 50 10 JJGE O=C(N[C@H]1CCC[C@@H]1CCCl)c1ccc(I)c(Br)c1 2090574227 XYPFRFILZAJWJZ-RNCFNFMXSA-N 456.549 4.581 50 10 JJGE CN(C(=O)c1cc(Cl)ccc1I)C1CCC(Br)CC1 2103909500 POXSXVCOYRLVGO-UHFFFAOYSA-N 456.549 4.723 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NC[C@H](CBr)C(C)(C)C)C1(C)C 2106788410 PKKSACBCBPNMSL-FLDNJWGVSA-N 453.487 4.835 50 10 JJGE CC(C)[C@H]1[C@@H](Br)CCN1C(=O)c1cc(Br)ccc1Br 2126097421 FSNABYKPJHRVAJ-STQMWFEESA-N 454.000 4.846 50 10 JJGE CC1(C)CC[C@@H](Br)CN1c1ncc(C(F)(F)F)cc1I 2156100476 WJXWJXOVABMCBE-SECBINFHSA-N 463.079 4.847 50 10 JJGE N#Cc1ccc(COc2c(Br)cc(CBr)cc2Br)cn1 2160268913 IFQLUAACVAPMSW-UHFFFAOYSA-N 460.951 4.952 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H](C(F)(F)F)[C@@H](CBr)C1 2163354539 ZJKBECMZNCNDAJ-NTSWFWBYSA-N 499.972 4.919 50 10 JJGE COc1ccc([C@H](Cl)c2nn(C)c(Cl)c2Br)cc1I 2269533058 CPISNABQTLBRRV-JTQLQIEISA-N 475.939 4.777 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1[C@H](CBr)C[C@H]2CCC[C@@H]21 2283662884 LEKQDHRXIJSNDS-PUYPPJJSSA-N 468.560 4.723 50 10 JJGE CCOC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C)cc1 2293039270 WCEMCIGAOMTJBB-IBGZPJMESA-N 471.376 4.747 50 10 JJGE CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@@H]2CCCO2)cc1 2296539286 LIDOYWARVSDXAA-VWLOTQADSA-N 456.546 4.529 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C)c(C)c1 2314754799 CHJDNESEMVYXRG-UHFFFAOYSA-N 474.513 4.503 50 10 JJGE CCc1cnccc1CO[C@](C)(CI)CN(CC)C(=O)OC(C)(C)C 2317844471 WBSIEQWNPJXMEB-LJQANCHMSA-N 462.372 4.611 50 10 JJGE N#CC(=Cc1cccc(Br)c1)C(=O)NCCc1cccc(Br)c1F 2329694412 FYGPUNRUNWJDQJ-UHFFFAOYSA-N 452.121 4.617 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@]1(C)COCCO1 2339657688 AJJWGGCITCJKRD-QWHCGFSZSA-N 460.963 4.901 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2cc(C(C)(F)F)ccn2)C1 2381515005 MAXQTECEWBLVLR-IBGZPJMESA-N 496.336 4.915 50 10 JJGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 13980346 FBXLCQDJAPLZCR-SFHVURJKSA-N 459.546 4.601 50 10 JJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Br)cc2C)cc1 14643332 SWAJPWUIJGHJST-RHSMWYFYSA-N 477.399 4.573 50 10 JJGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)cc1 14648279 OZDQFARQBZRCOK-UHFFFAOYSA-N 483.790 4.902 50 10 JJGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccc(OCC(C)C)c(Br)c1 14652876 DXVQBKFLPNUDAV-MRXNPFEDSA-N 477.399 4.837 50 10 JJGE Cc1nc(C)c(C(=O)N/N=C\c2ccccc2Cl)cc1C(=O)N/N=C\c1ccccc1Cl 34868470 IYHBFKSRBLRUQX-KTDSDSLMSA-N 468.344 4.533 50 10 JJGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C1(CCC2)SCCS1 39851998 YIVASZZELVFERP-UHFFFAOYSA-N 457.404 4.939 50 10 JJGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1 39993035 MFSSPDJLUBKLFD-NBVRZTHBSA-N 454.461 4.788 50 10 JJGE COc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)C)cc1Br 40950904 UIXLQUFSGMSJJB-LSHDLFTRSA-N 484.188 4.873 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1OC 205649328 CNYQRPARGLTFIP-GFOJTHJDSA-N 468.509 4.931 50 10 JJGE COc1cc(C=NNC(=O)COc2cc(C)ccc2C(C)C)ccc1OC(=O)c1ccccc1 254495785 PQSYSNVXUQCOPL-UHFFFAOYSA-N 460.530 4.875 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=C/C(C)=C/c3ccco3)n2-c2ccccc2)cc1 254583625 QDZDJPSNBSAJDM-WOWIJQELSA-N 473.558 4.834 50 10 JJGE CC[C@H]1[C@H](CBr)CCN1C(=O)c1cc(Cl)ccc1I 386213782 DRBNHSDKIGZCGG-ZANVPECISA-N 456.549 4.580 50 10 JJGE C[C@H](CCCBr)CNc1ncc(C(F)(F)F)cc1I 686112827 OQSVXUJOZXKSIT-MRVPVSSYSA-N 451.068 4.928 50 10 JJGE BrCc1cc(Br)cc(Br)c1OCCOC[C@@H]1CCCO1 693115774 IRHQTOXIYDGKPA-LBPRGKRZSA-N 472.999 4.681 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)c2cccc(Br)c2)c(-c2ccccc2)n1 761417338 STMSZQRJIUKZCR-XDHOZWIPSA-N 489.329 4.559 50 10 JJGE Cc1cc(OCC(=O)NN=Cc2ccccc2OCc2ccccc2)ccc1Br 1084087703 KBZSUBUWPNITPD-UHFFFAOYSA-N 453.336 4.866 50 10 JJGE CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)c3ccccc3Br)c2C)cc1 1084569523 FKPAWGVTFXRJHV-UHFFFAOYSA-N 468.351 4.797 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)c(C)n1CC(C)C 1086834198 JFCFODLRPSZZBS-FYJGNVAPSA-N 454.018 4.712 50 10 JJGE CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1556754954 RECAZVYONAGNQN-SFHVURJKSA-N 459.390 4.703 50 10 JJGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751678 JKXSJTSZDYTIIW-UHFFFAOYSA-N 455.470 4.531 50 10 JJGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1O)CCC2 1772751825 NKVHLJAZEPKLDT-UHFFFAOYSA-N 451.910 4.978 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)ccc1OC(C)C 1865697384 RAAGHGVOLQCXAE-FQEVSTJZSA-N 484.478 4.964 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865706778 FKENJQMGLJLEMG-NRFANRHFSA-N 495.377 4.823 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714499 LVXZUILVAPVBQF-LJQANCHMSA-N 493.401 4.876 50 10 JJGE N#C/C(=C\c1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccccc1)S(=O)(=O)c1ccccc1 1866128003 RISBTAYIQGRIDE-FIWMFUAISA-N 450.947 4.578 50 10 JJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCCOC)cc2)sc2c1CC[C@H](C)C2 1866215355 QNLPDALMKKMLGS-KXGFGANYSA-N 468.575 4.620 50 10 JJGE C[C@H](CBr)[C@H](C)NCc1ccc(I)c(Br)c1 1904340355 YGCNOQZYMLYOIT-BDAKNGLRSA-N 460.979 4.563 50 10 JJGE C[C@@H]1CCN(C(=O)c2csc(Br)c2Br)C[C@@H]1CBr 2032955816 FQBOBWICXIPMKC-SFYZADRCSA-N 460.029 4.766 50 10 JJGE O=C(NC1CC([C@@H](F)CBr)C1)c1cc(Br)sc1Br 2078362781 YSUSTZYTORONSU-QIECLKSESA-N 463.992 4.515 50 10 JJGE C[C@H](Br)[C@H]1CCCCN1C(=O)c1cccc(Br)c1Br 2092332489 GDRPGBNERAAQAE-JOYOIKCWSA-N 454.000 4.990 50 10 JJGE O=S(=O)(c1cc(Cl)c(F)cc1F)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2121055300 QMSYPNAAYGPHAX-KRWDZBQOSA-N 464.759 4.983 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@H](Br)[C@H]1C1CC1 2130608363 SPHNKFHXTOYORU-WCQYABFASA-N 451.984 4.600 50 10 JJGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cn(C)nc1Br 2138996205 AJTBFUARICTLIT-LLVKDONJSA-N 452.972 4.746 50 10 JJGE CC[C@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@H]1CBr 2140782599 CLVZTAWYQBQJMM-VHSXEESVSA-N 454.000 4.705 50 10 JJGE C=CC[C@@](C)(CCl)CNC(=O)c1ccc(Br)cc1I 2142280574 GCYFCNBEAJSZFG-AWEZNQCLSA-N 456.549 4.605 50 10 JJGE CC[C@H](C)[C@@H](Br)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2146588420 IVIDCNUQBLRZAC-CBAPKCEASA-N 468.038 4.844 50 10 JJGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1OC 2220401403 XBXPOKLGZDLNDN-OAHLLOKOSA-N 491.245 4.822 50 10 JJGE Cc1nc2c(cc1Br)nc(CCl)n2C[C@@H]1CC1(Br)Br 2224800286 GJJIEECKRSLRSR-ZETCQYMHSA-N 472.406 4.747 50 10 JJGE F[C@@]1(CC(CBr)(CBr)c2cccc(Br)c2)CCOC1 2229970066 IHNJPXAEAABFGQ-CQSZACIVSA-N 458.991 4.995 50 10 JJGE CC[C@H](CCBr)CNC(=O)Cc1cc(Br)cc(Br)c1 2277933025 NHQLYHQOVYDQKD-SNVBAGLBSA-N 456.016 4.682 50 10 JJGE Cc1cccc(OCC(=O)NN=Cc2cc(Br)ccc2OC(=O)C=Cc2ccco2)c1C 2297499037 PMAIPFARZRVWQE-UHFFFAOYSA-N 497.345 4.807 50 10 JJGE Cc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)c1 2314531569 CIXXAQRLEJNSLF-UHFFFAOYSA-N 450.498 4.958 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCCOc1ccccc1 2314737185 QEOUELMBQDRKHO-UHFFFAOYSA-N 470.525 4.683 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(NS(C)(=O)=O)cc3)n2)c(C)c1C 2331361356 MXLIDYQMWOQEMQ-UHFFFAOYSA-N 455.561 4.757 50 10 JJGE CC(C)[C@H]1C[C@H](Br)CN1C(=O)c1cccc(Br)c1Br 2344772805 YUQGSKDTYRKLNX-JOYOIKCWSA-N 454.000 4.846 50 10 JJGE Cl[C@@H]1CCC12CC(CNCc1ccc(I)c(Br)c1)C2 2349833119 QPUDAMGQSKIQGR-XGTXGMFGSA-N 454.577 4.941 50 10 JJGE CN(Cc1c(Br)c(Br)nn1C)c1ccc(CBr)cc1F 2364377214 SROIZCABNTVANN-UHFFFAOYSA-N 469.978 4.616 50 10 JJGE COc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2Br)c2ccccc12 12583817 JZPOBYINAVXYFA-FOKLQQMPSA-N 492.167 4.903 50 10 JJGE Cc1ccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2cccc(C)c2)c2ccccc23)cc1 33267909 MOHDIAPWSZJIMA-DEOSSOPVSA-N 469.566 4.830 50 10 JJGE CCCn1c(-c2ccc(C(=O)NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)s2)nc2ccccc21 35554260 ULIKPSTZHXEQBS-UHFFFAOYSA-N 483.937 4.811 50 10 JJGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1 38677091 CLJCZQNGVSFQLM-RUZDIDTESA-N 486.524 4.712 50 10 JJGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1 38677263 OJWTXMVKFMFLSO-IVCQMTBJSA-N 458.489 4.979 50 10 JJGE Nc1c(NNC(=O)c2cccc3ccccc23)ncnc1Nc1ccc(OC(F)(F)F)cc1 40793322 LLCAAFMIVUFSTK-UHFFFAOYSA-N 454.412 4.611 50 10 JJGE CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)N1CCc2ccccc21 50568371 NZQYXMHGZAQTAF-QNGOZBTKSA-N 464.525 4.994 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1 58895505 WSLMKJYCPWJUPF-KPISKDHLSA-N 477.517 4.536 50 10 JJGE CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1 97610510 DOIWVXPOGQNOFB-FKDRWTFESA-N 460.328 4.614 50 10 JJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(O)c(OCC)c2)sc2c1CC[C@H](C)C2 209405646 XQGJZQOFXZXWDZ-HNDQUVLASA-N 454.548 4.700 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CCC[C@H]1CCCBr 236065194 KBVODSXGUMYFMB-LLVKDONJSA-N 456.549 4.724 50 10 JJGE CC(C)c1ccc(C=c2sc3n(c2=O)C=C(C#N)[C@@H](c2ccc(C(C)C)cc2)C=3C#N)cc1 254833473 RCMMVDZZXZUZHE-AREMUKBSSA-N 451.595 4.822 50 10 JJGE O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@H]2[C@@H](c3cccc(Br)c3)c3sc(=S)[nH]c3S[C@H]21 256027614 YMHCYOGCTFCMAD-HBRKBTNUSA-N 480.430 4.756 50 10 JJGE CN(CCCn1c(CCl)nc2cc(I)ccc21)Cc1ccccc1 303211421 KHLXWBBZFLTRNZ-UHFFFAOYSA-N 453.755 4.902 50 10 JJGE COc1ccc(Cl)cc1[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CI 382689475 HQKCKHDKPWRSON-RISCZKNCSA-N 451.732 4.734 50 10 JJGE CC(C)(C)OC(=O)NCCN1CCN[C@H](c2cccc(CCO[Si](C)(C)C(C)(C)C)c2)C1 616634397 RNLRQZLZGBBEQK-QFIPXVFZSA-N 463.739 4.722 50 10 JJGE ClCCCCCc1cn(-c2ccc(Br)c(I)c2)nn1 686283959 NZIVCPVWTYCUEX-UHFFFAOYSA-N 454.537 4.586 50 10 JJGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCCS2(=O)=O)cc1Br 694615137 MNULOTHPLLQZIA-VXGBXAGGSA-N 461.013 4.533 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N(CCBr)c1ccccc1 714534685 VJNOIYMATPPAHG-UHFFFAOYSA-N 464.528 4.986 50 10 JJGE CCN(C)Cc1cccc(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1 743876725 BHMGWQFBRUQSSF-HZHRSRAPSA-N 487.007 4.792 50 10 JJGE CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)c1C 855901949 FHZWDSZMMINDHG-VLZCYVRTSA-N 462.594 4.983 50 10 JJGE N#C/C(=C/c1cn(Cc2ccccc2F)c2ccc(Br)cc12)C(=O)NC[C@@H]1CCCO1 1084322853 RMNFKBJGPPCGDW-PSXSOWLISA-N 482.353 4.793 50 10 JJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(C)C)cc2)c2ccccc2F)cc1 1084516461 KBZRSKQEGWZGMN-UHFFFAOYSA-N 497.592 4.515 50 10 JJGE Brc1sc(Br)c([C@@H](Br)[C@@H]2COCCO2)c1Br 1924579484 GHHRLGSVLWUIEJ-NJGYIYPDSA-N 499.844 4.887 50 10 JJGE CCN(CCCCBr)C(=O)c1cc(Br)ccc1I 2041183425 HUHRGEWSKGFWTN-UHFFFAOYSA-N 488.989 4.691 50 10 JJGE C[C@@H]1C[C@@H](CBr)CCN1C(=O)c1scc(Br)c1Br 2052369101 XEQAIHIRRAHMMV-SFYZADRCSA-N 460.029 4.909 50 10 JJGE CSCC[C@@H](Cl)CCNC(=O)c1cc(Br)ccc1I 2090383194 WTJSZWALQLODCM-JTQLQIEISA-N 476.605 4.534 50 10 JJGE O=C(NCC[C@H]1CCCC[C@H]1Br)c1cccc(F)c1I 2179629641 NJXYBJWRMYLTDJ-ZYHUDNBSSA-N 454.121 4.504 50 10 JJGE O=C(NC[C@@]12CCC[C@]1(CBr)C2)c1c(Br)cccc1Br 2208033212 NLMNNOQMCGGBKT-CABCVRRESA-N 466.011 4.897 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CCC[C@H](CCCCl)C1 2234183344 KEAWZBVWVVFKRQ-NSHDSACASA-N 470.576 4.925 50 10 JJGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccccc2Cl)cc1 2296720314 OGVXOVXEABEZGN-UHFFFAOYSA-N 456.889 4.994 50 10 JJGE FC1(F)[C@@H]2COC[C@@]21[C@@H](Br)c1sc(Cl)cc1I 2300957384 NNYLHUMNRIDIIB-YRZRMSQOSA-N 455.489 4.724 50 10 JJGE COc1ccc(CCN2C(=O)C(=CNc3c(Cl)cccc3Cl)C(C)=C(C#N)C2=O)cc1 2314579549 WMRWABHKRSUUOA-UHFFFAOYSA-N 456.329 4.749 50 10 JJGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593560 PEIWYCRQAFRQJU-HSZRJFAPSA-N 457.555 4.585 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1cc(C)ccc1C 2314737097 LMJMKHUNKMFZCD-UHFFFAOYSA-N 470.525 4.520 50 10 JJGE CCCO[C@@H]1[C@@H](Br)C[C@@H]1Oc1cc(Br)cc(I)c1 2316756876 IHLZUZFQWJGUKI-RWMBFGLXSA-N 489.973 4.764 50 10 JJGE Clc1cc(I)c([C@@H](Br)[C@H]2COC3(CCC3)CO2)s1 2316793184 WCGIAXYSYVLMCX-SCZZXKLOSA-N 463.562 4.780 50 10 JJGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1cc(Br)c2c(c1)CCO2 2364229201 WSYALAJNVHMGFF-JTQLQIEISA-N 485.401 4.971 50 10 JJGE O=C(NC[C@H]1CCC[C@H](CBr)C1)c1ccc(Cl)cc1I 2365586985 RTYHVEXYADDYIC-QWRGUYRKSA-N 470.576 4.876 50 10 JJGE CN(C)c1ccc(NC(=O)CCCCl)cc1CN(C[C@H]1CCCO1)C(=O)c1cccs1 34921654 TVBMWTDQWSWAKO-LJQANCHMSA-N 464.031 4.593 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)c1 38650125 DZJNAHNFFKNSTL-JOCHJYFZSA-N 477.314 4.895 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)c1 38650254 OENDQESEVQDJPT-DEOSSOPVSA-N 462.889 4.551 50 10 JJGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1OC 40858483 PBVMWHHOJHZWAY-MHWRWJLKSA-N 454.939 4.735 50 10 JJGE Cc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccccc1Br 58890474 RCSXHWUCYDVSEJ-OOEUXUOGSA-N 454.368 4.821 50 10 JJGE C/C(=N/NC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccccc1O 105466501 GYSFWYYMWBMBIT-FMCGGJTJSA-N 492.167 4.990 50 10 JJGE Cc1cc(COc2c(Br)cc(CBr)cc2Br)n(C)n1 235832834 LSZZTAQBDAWTHJ-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE CCOc1cc(C=NNC(=O)Nc2ccccc2)ccc1OCCOc1ccc([N+](=O)[O-])cc1 254311245 XOLNOEBBIBYVRC-UHFFFAOYSA-N 464.478 4.607 50 10 JJGE C[C@@H]1C[C@H](I)[C@@H](CI)[C@@H](C)N1Cc1ccccc1 306978338 BXBKPOFWLMUDRN-UXOAXIEHSA-N 469.148 4.524 50 10 JJGE Brc1cnc([C@H]2CCC[C@H](CI)O2)c(Br)c1 309476830 VELWWXRYKGPXOR-PSASIEDQSA-N 460.935 4.652 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2C[C@@H](Br)C[C@H]1C2 709822517 NTYBJGRQMXJQAP-IYYTYJHQSA-N 451.984 4.600 50 10 JJGE C=CCOc1ccc(Br)cc1NC(=O)NNC(=O)Cc1ccc2ccccc2c1 1206203084 MOBUSVRBQLROJE-UHFFFAOYSA-N 454.324 4.563 50 10 JJGE C/C(=C/C(=O)NNC(=O)c1ccc(Br)cc1Cl)c1ccccc1OC(F)F 1632936393 QIRATHDCHOICDA-NTMALXAHSA-N 459.674 4.568 50 10 JJGE COc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747444 IAIQGDIEZOBDJM-UHFFFAOYSA-N 496.907 4.881 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865708480 AGDPLLCNOWTVBO-HSZRJFAPSA-N 478.508 4.523 50 10 JJGE O=C(N[C@H](CCSC[C@H]1C[C@@H]1Br)C(=O)O)OCC1c2ccccc2-c2ccccc21 1883570495 DYUBDJSGMUBHFA-PUCZYUMASA-N 490.419 4.885 50 10 JJGE O=C(c1scc(Br)c1Br)N1CC[C@@H](Br)CC12CC2 2050627098 XMXUSMLVZKGSPW-SSDOTTSWSA-N 458.013 4.805 50 10 JJGE C[C@H]1CCCN(C(=O)c2c(Br)cccc2Br)[C@H]1CBr 2094096487 YFPZIOYVNLGBMH-CABZTGNLSA-N 454.000 4.847 50 10 JJGE C[C@H]1C[C@@H](Cl)CCN(C(=O)c2cc(I)ccc2Br)C1 2103283380 BZAZFLBRWQCLFO-UWVGGRQHSA-N 456.549 4.533 50 10 JJGE CC1(C)[C@@H](CBr)OCCN1Cc1cccc(Br)c1Br 2103391504 DKJOXMRDKYVVEP-GFCCVEGCSA-N 456.016 4.586 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)NCC[C@@H](Br)C(C)C)cc1Br 2146557146 ZVSMGICWVMOMDE-SNVBAGLBSA-N 492.071 4.608 50 10 JJGE O=C(NC[C@@]1(CBr)CC12CCC2)c1ccc(I)c(Cl)c1 2154198440 DEHWJXOLDXSUNB-HNNXBMFYSA-N 468.560 4.630 50 10 JJGE O=C(c1cc(I)ccc1Br)N1[C@H](CCl)CCC12CCC2 2205772770 LCDVUKPQURZXBU-NSHDSACASA-N 468.560 4.820 50 10 JJGE Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2CCBr)ccc1I 2207095121 BLVQGYIRVDRRMH-IUODEOHRSA-N 450.158 4.673 50 10 JJGE CN(C(=O)c1ccc(Br)cc1I)[C@H](CCl)CC1CC1 2226167393 KILWRMPTHZBCBD-NSHDSACASA-N 456.549 4.533 50 10 JJGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1cc(Br)c(O)cc1O 2248027974 CJNLYWYVBFOYLN-UHFFFAOYSA-N 457.162 4.676 50 10 JJGE C[C@]1(CBr)C=CCCN1C(=O)c1cccc(Br)c1Br 2264392021 KECIGGCEAFZZFM-CQSZACIVSA-N 451.984 4.767 50 10 JJGE CC(C)([C@H](Br)c1c(F)cc(Br)c(F)c1Br)S(C)(=O)=O 2272741644 VLCWFPMZVIKJFD-SNVBAGLBSA-N 484.982 4.749 50 10 JJGE CC[C@@H](CCBr)CNC(=O)Cc1cc(Br)cc(Br)c1 2277933024 NHQLYHQOVYDQKD-JTQLQIEISA-N 456.016 4.682 50 10 JJGE C[C@@H]1CN(C(=O)c2ccc(Cl)c(I)c2)CC[C@@H]1CCBr 2283663283 FVQYFUZQUYIMNO-MNOVXSKESA-N 470.576 4.828 50 10 JJGE Cc1cc(C(=O)N[C@@H](CCBr)COCc2ccccc2)ccc1Br 2303546526 FNZKSNWQGKFWJX-KRWDZBQOSA-N 455.190 4.858 50 10 JJGE O=C(NCC(F)(F)C(F)(F)CI)c1cscc1OCc1ccccc1 2314938915 UBBSEQZKJPQAQJ-UHFFFAOYSA-N 487.256 4.763 50 10 JJGE Clc1ccc(CN2CCSC[C@H]2CCBr)cc1I 2315551572 SKKDIFKHUVBITD-LLVKDONJSA-N 460.606 4.647 50 10 JJGE N#CC(=CNCCCc1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324610088 LLTIVGWWXKFEFI-UHFFFAOYSA-N 464.613 4.550 50 10 JJGE O=S1(=O)C[C@@H]2CCC[C@]2([C@H](Cl)c2sc(Cl)cc2I)C1 2338558967 QZUUHMLAULPBOC-BPTDKIDVSA-N 451.178 4.501 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@H]2CC[C@@H](Br)[C@@H]1C2 2355761590 XJAJVNHNDHNPAK-XWIASGKRSA-N 466.011 4.990 50 10 JJGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1cc(Br)c2c(c1)CCO2 2364229202 WSYALAJNVHMGFF-SNVBAGLBSA-N 485.401 4.971 50 10 JJGE C[C@](CI)(OC[C@@H]1O[C@H]2CC[C@H]1C2)c1ccccc1Br 2380671119 GDBMQCHGVMYDFR-GVAFMPQTSA-N 451.142 4.683 50 10 JJGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1 14036119 WHFONRAYUXAFSU-UHFFFAOYSA-N 491.613 4.637 50 10 JJGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 14643422 RTSGCIUIQICPPY-IAGOWNOFSA-N 485.378 4.601 50 10 JJGE O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 14766862 CMWHLFIILZLIRS-UHFFFAOYSA-N 487.781 4.728 50 10 JJGE CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(Cc4ccco4)C(=O)C(C#N)=C3C)o2)cc1 38606888 BIPVPPMBZPLRAT-FYJGNVAPSA-N 456.454 4.509 50 10 JJGE O=C(NNc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-])c1cccc(Cl)c1 40588068 JLZCDMQDPRLGCB-UHFFFAOYSA-N 453.673 4.846 50 10 JJGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40824062 BKGGTRCCHPRRRL-UXHLAJHPSA-N 488.441 4.973 50 10 JJGE CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1OC 40911816 VDLZLJCISMSBEI-ZMOGYAJESA-N 463.372 4.683 50 10 JJGE CCOc1ccccc1/C=C/C(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OC 40950370 OQVTXHBAAZARJQ-DTXJCZLISA-N 472.497 4.529 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)cc2CC)cc1 40992786 CFCCOGOKWCVAKP-CPNJWEJPSA-N 485.378 4.819 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(C)n1CC(C)C 96801513 BFULHHANNIWOOY-ZDLGFXPLSA-N 464.591 4.588 50 10 JJGE CCCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(C(=O)CCl)C2CC2)cc1OC 97914963 ZURFQNINUIOALR-HSZRJFAPSA-N 451.007 4.594 50 10 JJGE CC[C@H](Br)CCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 135167542 XSPTWQDZWQLVIJ-ZETCQYMHSA-N 454.011 4.598 50 10 JJGE CCOc1cc(/C=N\NC(=O)c2sc(N)nc2CC)ccc1OCc1cc(C)ccc1C 169892234 PPHPDDCZOZAJGD-ZMFRSBBQSA-N 452.580 4.646 50 10 JJGE Cc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 205645406 MMWTWGMSXJVXAZ-VDUBTBKOSA-N 453.454 4.740 50 10 JJGE COc1cc(C=NNC(=O)c2cc(Br)ccc2OC)ccc1OC(=O)c1ccc(C)cc1 252593383 BJRMZHFKPGRFIK-UHFFFAOYSA-N 497.345 4.758 50 10 JJGE O=C(NN=Cc1cc2ccccc2nc1Cl)/C(=C\c1cccs1)NC(=O)c1ccccc1 252627436 RTZRDKCTYPFQLP-GGASWYGPSA-N 460.946 4.871 50 10 JJGE O=C(NN=CCCc1ccccc1)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 254836591 ZHBQTUBHGCAOLL-UHFFFAOYSA-N 469.566 4.897 50 10 JJGE aggregator O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cccc(F)c2F)C1 382706653 UCIZSSZVAYVODR-ZBFHGGJFSA-N 457.258 4.752 50 10 JJGE O=C(N[C@@H]1CCC[C@@H](CBr)C1)c1cc(Br)c(Br)s1 385072866 UQLOMSCBVLNKEQ-HTQZYQBOSA-N 460.029 4.957 50 10 JJGE O=C(NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1cc2ccccc2cc1O 1084316500 QGCCVPWWKDUAAL-UHFFFAOYSA-N 455.901 4.880 50 10 JJGE CC(=O)CCc1ccc(OCc2cccc(C(=O)NNc3ncccc3C(F)(F)F)c2)cc1 1160844267 WXNGTFFHMGWNCK-UHFFFAOYSA-N 457.452 4.958 50 10 JJGE O=[N+]([O-])c1cc(Br)ccc1[C@@H]1CN(Cc2ccccc2)C[C@@H]1CBr 1614696104 WDSKPPJYNMHERZ-WMLDXEAASA-N 454.162 4.968 50 10 JJGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772748542 ATVKXPWDSBEMIB-UHFFFAOYSA-N 496.361 4.838 50 10 JJGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4nc5ccccc5s4)c(C)c32)c1 1772749069 GVSYEWXBHRQAGD-UHFFFAOYSA-N 474.542 4.929 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1OCC 1865689210 MSKXAVUOMQTQDZ-HSZRJFAPSA-N 464.953 4.909 50 10 JJGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)c1O 1865697084 WQLKODNVNPCXSF-IBGZPJMESA-N 495.377 4.901 50 10 JJGE CCC[C@@H](NC(=O)CCc1csc(-c2ccccn2)n1)C(=O)Nc1ccc(SC#N)cc1 1867055635 GXWMVUFXUZIBEF-LJQANCHMSA-N 465.604 4.634 50 10 JJGE Cc1sc(C(=O)N[C@@H](CCBr)COCc2ccccc2)cc1Br 1902796680 PVNKHMMNBGNBPG-AWEZNQCLSA-N 461.219 4.919 50 10 JJGE Clc1ncn(-c2ccc(I)c(Br)c2)c1CBr 1982517617 ZSMYDLFLDDRLHS-UHFFFAOYSA-N 476.337 4.788 50 10 JJGE Cc1cc(Br)c(CBr)c(N2CC3(CN(Cc4ccccc4)C3)C2)c1 2005457932 ZMNQHISERORKEC-UHFFFAOYSA-N 450.218 4.975 50 10 JJGE O=C(Nc1ccc(Br)c(I)c1)[C@@H](Br)C1CCCC1 2048124321 WFDJYVJCNNQWNN-LBPRGKRZSA-N 486.973 4.946 50 10 JJGE CC[C@H](C)[C@@H](CI)NC(=O)c1cccc(Br)c1Br 2081244917 ATAWZUDFBAGCEO-GZMMTYOYSA-N 488.989 4.791 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)NC2(CCCBr)CC2)cc1Br 2146289250 OSYKHRDAXMJENU-UHFFFAOYSA-N 490.055 4.506 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CCC2(CC1)C[C@@H]2CCl 2148906582 YXEMANMDRRZSAJ-LLVKDONJSA-N 468.560 4.535 50 10 JJGE O=S(=O)(c1cc(Cl)c(Br)s1)N1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2154106410 PDKLXPPLVSMDEI-QXFUBDJGSA-N 463.644 4.633 50 10 JJGE Cc1cc(S(=O)(=O)N(C)Cc2cscc2Br)sc1CBr 2179825702 JWBHIXZCZJVUMZ-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE CN(C)CC(C)(C)CO[C@](C)(CI)c1ccccc1Br 2198532865 WBABXAUBMURNIZ-MRXNPFEDSA-N 454.190 4.704 50 10 JJGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)Cc1ccc(Br)cc1 2213760348 DWFIQLNGCRIYHF-OAHLLOKOSA-N 475.246 4.955 50 10 JJGE O=C(c1sccc1I)N1[C@H](CBr)C[C@@H]2CCCC[C@@H]21 2232008886 UAUOJNJJXNWXNP-NHCYSSNCSA-N 454.171 4.521 50 10 JJGE O=C(N[C@@H](CBr)c1cccs1)c1ccc(Cl)c(I)c1 2268358463 LZJMILDRZIRWCE-NSHDSACASA-N 470.557 4.872 50 10 JJGE CCn1cc([C@@H](Cl)c2ccc(OC)c(I)c2)nc1Br 2269549566 UHFCDNGUSFLMIB-LBPRGKRZSA-N 455.521 4.607 50 10 JJGE CN(C(=O)Cc1cc(Br)cc(Br)c1)C1(CCBr)CC1 2277921340 SPXBJLNHRITIDN-UHFFFAOYSA-N 454.000 4.530 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1C#N 2313565350 VHMVZOKNLLRIKT-UHFFFAOYSA-N 492.579 4.792 50 10 JJGE O=C(C=Cc1ccc(Cl)cc1)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 2313864436 OCVZOPFBNUEDHM-UHFFFAOYSA-N 486.808 4.541 50 10 JJGE Brc1cc(CN2C[C@@H]3C[C@H](C[C@@H]3Br)C2)ccc1I 2325221885 PJVCXYNCFFGNSV-WOPDTQHZSA-N 485.001 4.659 50 10 JJGE CCOc1ccc(Br)cc1[C@@H](Br)c1c(Br)ncn1C 2337328117 MPILAAMXDRJADZ-LLVKDONJSA-N 452.972 4.828 50 10 JJGE CC1(C)CC(CBr)(CN=[S@@](C)(=O)CC2CC(NC(=O)OC(C)(C)C)C2)C1 2345004592 MNPCHHDTKFGIMS-PEOFPKNDSA-N 451.471 4.589 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CC[C@H]2C[C@@H](Cl)CC[C@H]21 2358308595 IPNFHXDXIRZKIJ-NURSFMCSSA-N 468.560 4.676 50 10 JJGE CC(C)(C)OC(=O)NCC[C@H]1CCN(C(=O)CCCCBr)[C@H](C(F)(F)F)C1 2362896921 GMUCCBAEDXUCPU-KBPBESRZSA-N 459.347 4.636 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CCC([C@@H](F)CBr)CC1 2365598649 RNADLYBKMWVUAW-LBPRGKRZSA-N 474.539 4.530 50 10 JJGE CCOc1ccc(/C=N/NC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)cc1 20176180 PMEWZMBKHLFWDN-OGLMXYFKSA-N 486.601 4.521 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@H]1c1ccccc1F 38652376 KXZLGWOZUGAFHE-OAQYLSRUSA-N 465.824 4.825 50 10 JJGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccccn5)c(C)c43)coc2c1 40827015 NGKGZVUJIIWUBY-NDZAJKAJSA-N 470.529 4.998 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1 58892769 ZRUOKROVEZEALC-BHSKHCGUSA-N 451.479 4.526 50 10 JJGE CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Oc2ccccc2)c1)c1ccc2c3c(cccc13)CC2 59464102 ZSXCFCRSKVUIIS-RDRPBHBLSA-N 499.592 4.647 50 10 JJGE N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)N1CCN(c2ccccc2)CC1 59676596 SCGACPWOPAEBCS-CAPFRKAQSA-N 499.483 4.551 50 10 JJGE C[C@H]1CCC[C@](CCl)(NS(=O)(=O)c2cc(Br)ccc2Br)C1 96873298 KDYSWMAAJARNMV-HZMBPMFUSA-N 459.631 4.678 50 10 JJGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 101332184 ZXZITBVLJSKQGO-UDWIEESQSA-N 473.330 4.524 50 10 JJGE O=C(N[C@@H]1CCCC[C@H]1CBr)c1cc(Br)cc(Br)c1 231609610 NHGQBPGLCUDSCP-TVQRCGJNSA-N 454.000 4.895 50 10 JJGE O=C(N[C@H]1CCCC[C@H]1CBr)c1cc(Cl)ccc1I 231614440 RBSHDNPGKIZMEB-ZANVPECISA-N 456.549 4.628 50 10 JJGE CC(=NNC(=O)c1cccc(Br)c1)c1cccc(NC(=O)c2ccccc2F)c1 254795171 KPJUAGHJTNOCST-UHFFFAOYSA-N 454.299 4.995 50 10 JJGE C=CCc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCC)cc2)c(OC)c1 254896653 FWPJBRAUUXBEBK-UHFFFAOYSA-N 488.540 4.571 50 10 JJGE CC[C@H](CBr)N(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 380972777 FCMPUXQABMDXEO-MRVPVSSYSA-N 454.011 4.550 50 10 JJGE Cc1nc(-c2ccc(CNC(=O)/C(C#N)=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)cc2)cs1 746055610 WSBZINVVENZKCS-PCZPJENVSA-N 460.603 4.939 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc(Br)c1O 1865689102 JWUXLRONOAAFCK-NRFANRHFSA-N 495.377 4.552 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865693363 VGKGTQCMZZXLFT-XMMPIXPASA-N 480.524 4.783 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865698008 HVZZPZMUWKVICJ-JOCHJYFZSA-N 480.927 4.666 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865708192 QIQQYQZSGRMBSI-DEOSSOPVSA-N 480.524 4.783 50 10 JJGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCNC(=O)[C@H]2c2cn(C)c3ccccc23)n1 1868278248 XKIZBTDWHQKFMG-RUZDIDTESA-N 483.601 4.525 50 10 JJGE CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 1873795501 MXFDVZNIHSQAGM-OGLMXYFKSA-N 457.546 4.940 50 10 JJGE Cc1scc(C(=O)N[C@H](CCBr)COCc2ccccc2)c1Br 1902876489 QVMXNRGWWXGGME-CQSZACIVSA-N 461.219 4.919 50 10 JJGE COc1sc([C@@H](Br)c2c(Br)c(C)nn2C)cc1Br 2072300382 KDVISVPOQLQRGK-SECBINFHSA-N 459.001 4.808 50 10 JJGE CN(CC(=O)c1cc(Br)sc1Br)C[C@H]1C[C@@H](Br)C1 2076256907 DSGDMJHCEZALSZ-OCAPTIKFSA-N 460.029 4.561 50 10 JJGE C[C@@H]1CCCN(C(=O)c2cccc(Br)c2Br)[C@@H]1CBr 2092333191 ODLIDTODFGOXSO-BXKDBHETSA-N 454.000 4.847 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H]2C[C@H](Br)CC[C@H]2C1 2093941934 GMCKPRLVKVXHMS-DJLDLDEBSA-N 472.040 4.909 50 10 JJGE CC(F)(F)C[C@H](CBr)NC(=O)c1c(Br)cccc1Br 2113235142 GUUUDEYOJKWDDC-SSDOTTSWSA-N 463.942 4.750 50 10 JJGE Cc1cccc(C(=O)N[C@@H](CBr)c2ccsc2)c1I 2119040842 UKQURBDCDIZKFR-LBPRGKRZSA-N 450.139 4.527 50 10 JJGE CC1(C)C[C@H](CCl)CN1C(=O)c1cc(Br)ccc1I 2127827411 JEGHAXAIHKHWIS-SECBINFHSA-N 456.549 4.533 50 10 JJGE O=C(N[C@@H]1CC[C@H]2C[C@@]21CBr)c1cc(Br)ccc1Br 2132114910 HBGKQBNDRJQMAG-REAQECSSSA-N 451.984 4.505 50 10 JJGE O=C(c1cccc(F)c1I)N(CCBr)Cc1ccsc1 2171092517 OKLKJWZQPGWHNE-UHFFFAOYSA-N 468.129 4.529 50 10 JJGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@@H]1C 2179819290 KENLHFZPMXSRPT-ULQDDVLXSA-N 471.486 4.623 50 10 JJGE O=C(NC[C@@]12CCC[C@]1(CCl)C2)c1cc(I)ccc1Br 2208037921 AKYYSCWDUUCTEL-CABCVRRESA-N 468.560 4.583 50 10 JJGE CC(C)(C)OC(=O)N(CC(F)F)[C@H]1CCCN(CCCCCI)C1 2214704487 FHKIUHYMKWQOGF-AWEZNQCLSA-N 460.347 4.558 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CI)O[C@@H]1CCCC[C@@H]1C(F)(F)F 2217091934 SOERIMYHQKARKY-ZOWXZIJZSA-N 465.294 4.843 50 10 JJGE C[C@]1(CBr)C=CCCN1C(=O)c1cc(Br)cc(Br)c1 2264384113 IDFLMEYXZPROKS-CQSZACIVSA-N 451.984 4.767 50 10 JJGE CC(C)C[C@H](CBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277936089 KZDYNPPJUBZZOX-CYBMUJFWSA-N 456.016 4.680 50 10 JJGE C=CC[C@]1(CCl)CCCN1C(=O)c1cc(I)ccc1Br 2287790923 IMKZXCVXLFMYGJ-OAHLLOKOSA-N 468.560 4.843 50 10 JJGE COc1cc(C=C2SC(=S)N(Cc3ccccc3)C2=O)ccc1OCCBr 2293250253 AMOSJJVEVCUJJI-UHFFFAOYSA-N 464.406 4.870 50 10 JJGE CCOC(=O)C(C#N)=Cc1cc(Br)c(OCCOc2ccccc2OC)c(OCC)c1 2293993099 AWHUARITZIHIGU-UHFFFAOYSA-N 490.350 4.784 50 10 JJGE C[C@@H]1CCN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@@H]1CBr 2295307849 PVYUMPIHSPCXJS-PWSUYJOCSA-N 468.027 4.634 50 10 JJGE CC(C)(C)c1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 2295631736 PXJCANMGPIOVLG-UHFFFAOYSA-N 466.588 4.787 50 10 JJGE COc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)C(=O)Nc1ccccc1Cl 2314534098 YICHFCZUYWIMMK-UHFFFAOYSA-N 472.888 4.694 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(Cl)cc1 2314753175 GJLOOTRRPBBJQP-UHFFFAOYSA-N 450.878 4.774 50 10 JJGE CCOC(=O)c1ccccc1NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324598942 LZWREPPEBLPCII-UHFFFAOYSA-N 494.595 4.616 50 10 JJGE CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3ccccc3)sc2c1 2325312877 OCJPLMNXQFZEQE-UHFFFAOYSA-N 468.604 4.653 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1[C@H]2CC[C@@H]1[C@@H](CBr)C2 2329070522 BLJRMHGVPWIEHH-DFAYQTQMSA-N 451.984 4.600 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)COc4ccc(Cl)cc43)n2)cc1OC 2331242710 CPBKZLPKAAGDAG-UHFFFAOYSA-N 483.933 4.699 50 10 JJGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(OC)cc4)cs3)CC2=O)cc1 2331273546 OOWLLFQRNHPRHT-GOSISDBHSA-N 489.553 4.841 50 10 JJGE CC[C@@H](C)Oc1cccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)c1 10661458 FPAQVSYUUWZGCD-OAHLLOKOSA-N 471.351 4.620 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)O[C@@H](C(N)=O)c2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 96931209 KNFLFERAYFMTPN-OFFMQOAPSA-N 496.336 4.673 50 10 JJGE CCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)CCl)cc1OC 97914585 AXNMMSVHLHXNMO-XMMPIXPASA-N 477.001 4.835 50 10 JJGE COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)n2)c1 103353174 ZPOLBBYOKPBBBX-GHRIWEEISA-N 493.570 4.893 50 10 JJGE C[C@@H](Br)C1CCN(C(=O)c2cc(Br)sc2Br)CC1 235124323 KROAHCBYLASCHE-SSDOTTSWSA-N 460.029 4.909 50 10 JJGE Cc1[nH]c2ccccc2c1C=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 254762569 GVSQZMRWJAEOBO-UHFFFAOYSA-N 466.570 4.966 50 10 JJGE CCCCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 254868674 PQRRQWMFCBISAR-UHFFFAOYSA-N 476.529 4.866 50 10 JJGE BrC[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(I)c1 382702497 PRTLSDRCPDMCLE-AEFFLSMTSA-N 456.165 4.902 50 10 JJGE CC(C)(CBr)CCCNS(=O)(=O)c1cc(Br)ccc1Br 393378968 OHUOLJDARBXEQL-UHFFFAOYSA-N 492.071 4.691 50 10 JJGE CCC(CC)(CBr)NC(=O)c1ccc(I)c(Br)c1 721608132 DTVITPJIWQMHKK-UHFFFAOYSA-N 488.989 4.737 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2cc([N+](=O)[O-])ccc2F)[C@@H](CI)C1 1614693340 VRKRQCVRNYXUHP-YOEHRIQHSA-N 484.265 4.521 50 10 JJGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)n1 1772747855 LLGLHZNDLJHNCW-UHFFFAOYSA-N 481.896 4.576 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681732 VGCZJHSXGNYVPU-DEOSSOPVSA-N 464.525 4.839 50 10 JJGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865692103 JBDFXOGWMRJNPA-OAQYLSRUSA-N 450.926 4.714 50 10 JJGE Cc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)c(C(C)(C)C)c1 1865759753 QGYAKDFELZHRPM-UHFFFAOYSA-N 467.516 4.781 50 10 JJGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@H]1C[C@H]1Br 1893149060 ZCECJQJKFICQIQ-AVIJNYRZSA-N 485.422 4.792 50 10 JJGE CN(C[C@@H](Cl)COCc1ccccc1)C(=O)c1ccc(I)c(Cl)c1 1916354084 HWJFOWNGIPSXJC-OAHLLOKOSA-N 478.157 4.841 50 10 JJGE O=S1(=O)CC[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924571849 VDGNJRIDMGNZBD-BBIVZNJYSA-N 473.433 4.503 50 10 JJGE Cc1nn(-c2ccc(CBr)c(Br)c2)c(C)c1I 1945161513 DXCKPDYRFLZTSC-UHFFFAOYSA-N 469.946 4.751 50 10 JJGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1ncc(Br)cc1Cl 2007992515 LRXHAGFVKFTEAM-AWEZNQCLSA-N 476.596 4.550 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[C@@H](CI)O2)C(F)(F)CC1 2020325597 AAHDRWRCARUJRP-BBRMVZONSA-N 459.315 4.786 50 10 JJGE FC(F)(F)c1c(I)c(CBr)nn1-c1ccc(C2CC2)nc1 2078931518 RITCDKJHMSCAJJ-UHFFFAOYSA-N 472.046 4.663 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H](Br)CCC12CCC2 2174540449 OGLFEEYJBLVNTI-LLVKDONJSA-N 468.560 4.867 50 10 JJGE Brc1ccc(Br)c(CN2CCC3(CC2)C[C@H](Br)CO3)c1 2175142200 NTUJMXLINHLGGH-ZDUSSCGKSA-N 468.027 4.730 50 10 JJGE CCc1ccc(CBr)cc1S(=O)(=O)N(CC)CCCOCc1ccccc1 2179863866 SNZBQSJSMQCPJQ-UHFFFAOYSA-N 454.430 4.761 50 10 JJGE O=C(N[C@@]1(CBr)C[C@H]2CC[C@H]1C2)c1cccc(Br)c1Br 2283918348 FSSBTZULYLYDMV-AMJWSMQMSA-N 466.011 4.895 50 10 JJGE CC1CC(CBr)(CNC(=O)Cc2cc(Br)cc(Br)c2)C1 2295310786 BLRFCRYYEKFKEV-UHFFFAOYSA-N 468.027 4.682 50 10 JJGE COc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1 2296506796 FOGQBTGQZCLNTI-QHCPKHFHSA-N 455.539 4.760 50 10 JJGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3Cl)nc3ccccn3c2=O)cc1 2296543641 TXPYWWIBKOYPOU-UHFFFAOYSA-N 456.889 4.994 50 10 JJGE Cc1cc(Br)c(NCC(=O)NN=CC=Cc2ccccc2)c(Br)c1 2296653210 SOKUTEVQUDSWBF-UHFFFAOYSA-N 451.162 4.747 50 10 JJGE Cc1ccc(-n2c(C)cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1[N+](=O)[O-] 2313545996 UXVSTXFFWCVORU-UHFFFAOYSA-N 469.545 4.567 50 10 JJGE CC(C)[C@H](Br)c1cn(Cc2ccc(Cl)c(I)c2)nn1 2337193819 XFKKYJYNJBRVGR-ZDUSSCGKSA-N 454.537 4.676 50 10 JJGE Cn1nc(Br)c(Br)c1[C@H](Br)c1c(F)cc(F)cc1F 2338723107 TVXVMKQZMITYAF-MRVPVSSYSA-N 462.889 4.847 50 10 JJGE O=C(NC1(CCBr)CCCC1)c1ccc(Cl)cc1I 2340056226 HQJCSZAOMPOULU-UHFFFAOYSA-N 456.549 4.772 50 10 JJGE COc1c(Br)cc(C)c([C@H](Br)[C@@]2(C)COCCO2)c1Br 2365217983 IYUBYQWVKORWLR-UONOGXRCSA-N 472.999 4.770 50 10 JJGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccc(OCCOc2ccccc2)cc1 14039541 SZFXWPCAPYUQCR-HXUWFJFHSA-N 470.525 4.526 50 10 JJGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)c1 38684390 PIYFINWANXZNHU-HHHXNRCGSA-N 486.524 4.687 50 10 JJGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Sc1cccc2cccnc12 40795646 UZSKTIDIWUEHGY-UHFFFAOYSA-N 487.372 4.587 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C\Nc3cc(OC)c(OC)c(OC)c3)n2)cc1OC 102462294 WOXMPICJZQQKMJ-QINSGFPZSA-N 453.520 4.830 50 10 JJGE O=c1[nH]c2cc(Br)c([C@@H](Cl)c3ccc(I)cc3)cc2[nH]1 109883660 ZSKYHBAMKZQFBX-ZDUSSCGKSA-N 463.500 4.552 50 10 JJGE O=S1(=O)CCCC[C@H]1[C@@H](Br)c1cc(Br)c(Br)s1 169100212 XTAHZXCBUVUCAZ-IUCAKERBSA-N 467.042 4.676 50 10 JJGE C[C@H](NC(=O)c1cc2ccc(OC(=O)/C(C#N)=C\c3ccccc3)cc2oc1=O)c1ccccc1 206542285 OENGBXKFCQVWDR-GFHXCNCHSA-N 464.477 4.797 50 10 JJGE CCN(C[C@](C)(CI)OCCCC(F)(F)F)C(=O)OC(C)(C)C 231319123 IPWONTUSCDKTMW-AWEZNQCLSA-N 453.283 4.796 50 10 JJGE Cc1ccc(C)c(OCC(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccccc2)c1 254605528 FEXXRMVVZOUDIV-UHFFFAOYSA-N 481.346 4.814 50 10 JJGE CCOc1cc(C=NNC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)c1cccs1 254815490 CPAARCRDIZCACT-UHFFFAOYSA-N 452.532 4.512 50 10 JJGE O=C(CCCCCCCCCCC(=O)NN=Cc1ccc(O)cc1)NN=Cc1ccc(O)cc1 254835831 BJGYAOUUJBINGB-UHFFFAOYSA-N 466.582 4.599 50 10 JJGE ClCCCCCc1cn(-c2cc(I)ccc2Br)nn1 686285128 XCHMJPUDLRGSDD-UHFFFAOYSA-N 454.537 4.586 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccccc2Cl)c(-c2ccc(Cl)cc2)n1 782094447 HZZDHHNBGAWJLY-ATVHPVEESA-N 494.338 4.859 50 10 JJGE CCC(=NNC(=O)COc1c(C)cc(Br)cc1Br)c1ccccc1 1084159410 VCHZDIUUGSZBKG-UHFFFAOYSA-N 454.162 4.829 50 10 JJGE Cc1ccc(NCCCC(=O)NN=Cc2c(C)nn(-c3ccccc3)c2N2CCCCC2)cc1 1084179685 JRFWXFMNXHDHSW-UHFFFAOYSA-N 458.610 4.822 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3ccc(C(=O)OC)c(Cl)c3)o2)cc1 1084283350 DZVJNWICPIBXMK-JOCHJYFZSA-N 484.936 4.749 50 10 JJGE O=[N+]([O-])c1cc([C@H]2CN(Cc3ccccc3)C[C@H]2CBr)ccc1Br 1614624258 SPKSIIQMWVHSSH-HZPDHXFCSA-N 454.162 4.968 50 10 JJGE CC(=O)CCc1ccc(OCc2cccc(C(=O)NNc3ccc(F)c([N+](=O)[O-])c3)c2)cc1 1654506871 WYRFKCSAQOKOOP-UHFFFAOYSA-N 451.454 4.591 50 10 JJGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cccc5ncccc45)c(C)c32)cc1 1772746009 PGPZGLXPZUABGH-UHFFFAOYSA-N 468.513 4.868 50 10 JJGE Cc1c(C(=O)NCCC(C)C)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772748864 FGDLNSBWGVJIOS-UHFFFAOYSA-N 480.392 4.906 50 10 JJGE Cc1ccc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1Cl 1858683661 YMTYRSKRRZUJBU-UHFFFAOYSA-N 456.842 4.580 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)cc1OCC 1865689355 QGILHDBUQNFOGR-QHCPKHFHSA-N 462.525 4.648 50 10 JJGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1F 1865692233 DGDGZLVXMLJDIH-SFHVURJKSA-N 488.441 4.715 50 10 JJGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)cc1OC 1865696590 IFIVAXNMHZOCQI-NRFANRHFSA-N 495.377 4.628 50 10 JJGE Cc1cc2cc(CC(=O)N[C@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)ccc2nc1O 1866917192 HWXCYBGFVRANRN-VWLOTQADSA-N 482.565 4.861 50 10 JJGE Cn1nc(Br)c(Br)c1C(=O)N(Cc1ccccc1)C(C)(C)CCl 1901043012 QQKDGEQUBHPUEZ-UHFFFAOYSA-N 463.601 4.605 50 10 JJGE O=C(c1cc(Br)ccc1[N+](=O)[O-])N(CCCBr)Cc1ccccc1 2013180177 VVOANRGCDBNGAH-UHFFFAOYSA-N 456.134 4.785 50 10 JJGE CC1(C)CC[C@@H](Br)CN1c1ncc(I)cc1Br 2015764488 DBSAOFXOXXDTGL-MRVPVSSYSA-N 473.978 4.591 50 10 JJGE C[C@H](NC(=O)c1ccc(I)c(Br)c1)C(C)(C)CBr 2030089203 XKBSORMAPRJPAY-QMMMGPOBSA-N 488.989 4.593 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2CCC[C@H](Br)[C@H]2C1 2094589327 YTXIPBRBPQYRPU-HGNGGELXSA-N 472.040 4.909 50 10 JJGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1ccc(Br)cc1Br 2104411133 KTLROQJDTLXZQA-YXPMNYRZSA-N 451.984 4.503 50 10 JJGE C[C@H](Br)CCc1cn(Cc2cc(Br)ccc2Br)nn1 2132768458 XRBZMHQXSWHQQL-VIFPVBQESA-N 451.988 4.567 50 10 JJGE BrCCCO[C@H]1CCN(Cc2c(Br)cccc2Br)C1 2142043545 FTLBRPJVWRLJOH-NSHDSACASA-N 456.016 4.588 50 10 JJGE Cn1nc([C@@H](Br)c2cc(Br)cc3c2OCCC3)cc1Br 2150478589 MNUWJEUBOPNGEV-ZDUSSCGKSA-N 464.983 4.754 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2184577934 NKXOXYFYVVBCON-YHPBZONMSA-N 468.560 4.723 50 10 JJGE Cc1ccc(CBr)cc1S(=O)(=O)N1CC[C@]1(C)CCOCc1ccccc1 2197756133 VDEVLRFWCMEVPM-OAQYLSRUSA-N 452.414 4.650 50 10 JJGE C=CC[C@@]1(CBr)CCCCN1C(=O)c1sccc1I 2272142186 XCYVGVYKTGKPIP-AWEZNQCLSA-N 454.171 4.689 50 10 JJGE C[C@H](Br)C(C)(C)CNC(=O)Cc1cc(Br)cc(Br)c1 2277926771 NFTSTVXKFGHWQP-VIFPVBQESA-N 456.016 4.680 50 10 JJGE O=C(NCC[C@@H]1CCCC[C@H]1Br)c1c(F)cccc1I 2282787381 PPAXUKGJNBPAAW-WDEREUQCSA-N 454.121 4.504 50 10 JJGE Cc1nc(C2CCN(C(=O)[C@@H](Cl)C(C)C)CC2)nc2c1CCCN2CCc1ccccc1 2296577819 BGBMZGNSZLOUJD-QHCPKHFHSA-N 455.046 4.750 50 10 JJGE N#CC(=Cc1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1 2297318629 BYMMWUQQTPLLLN-UHFFFAOYSA-N 481.892 4.618 50 10 JJGE C=CCN1C(=O)C(=Cc2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)o2)C(C)=C(C#N)C1=O 2297458413 ZSCLPOCJRSPGSU-UHFFFAOYSA-N 474.472 4.500 50 10 JJGE COc1cc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1ccc2c(c1)OCO2 2297534124 JCPIQMTUYRGZLB-UHFFFAOYSA-N 491.507 4.707 50 10 JJGE FC(F)C[C@@H](CBr)NCc1ccc(I)c(Br)c1 2306224222 OCNKTDIRNWTQNH-QMMMGPOBSA-N 482.932 4.562 50 10 JJGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1OCC(=O)O 2313563420 LQGLXXRSZBOHAY-UHFFFAOYSA-N 461.301 4.740 50 10 JJGE COc1cccc(NC(=O)C(C#N)=Cc2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)c1 2314532159 GSGKDMUXUJWSIN-UHFFFAOYSA-N 466.497 4.658 50 10 JJGE Cc1cc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)cc(C)c1Cl 2314755125 UPIKPGDINLVKRK-UHFFFAOYSA-N 464.905 4.758 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)cc1F 2331337066 VMSSFTWNHCXWAH-UHFFFAOYSA-N 463.490 4.912 50 10 JJGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3ccc(NS(C)(=O)=O)cc3)n2)c1 2331376410 BDTIOHGAGGBTBC-UHFFFAOYSA-N 485.587 4.929 50 10 JJGE C=CC[C@H](Br)[C@H]1CCN1C(=O)c1cccc(Br)c1Br 2335817904 NVSJPDWCNHOJDB-CMPLNLGQSA-N 451.984 4.766 50 10 JJGE COc1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)c(C)c1 2338860306 KQJHUMNDYGHSFB-SNVBAGLBSA-N 452.972 4.746 50 10 JJGE Clc1ccc(I)cc1CN1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 2352422695 YCTPCTREHZEYJF-LEWSCRJBSA-N 454.577 4.940 50 10 JJGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)CCC(=O)Nc1cc(C)ccc1C 10683262 LYEBFVOYLXGJGR-GCJKJVERSA-N 453.583 4.541 50 10 JJGE Cc1nc(COc2ccc(/C=C/C(=O)NNC(=O)c3cc(Cl)ccc3Cl)cc2)cs1 14367405 DOGUYTLFTXQZCU-RUDMXATFSA-N 462.358 4.812 50 10 JJGE CN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc(/C=C(/C#N)c3cccc(Cl)c3)cc2)cc1 31901480 HAJYSHVGABOPDF-ZHZULCJRSA-N 466.946 4.874 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1cccc(Br)c1 38651466 PPUWLFVHTKBASX-QHCPKHFHSA-N 495.304 4.791 50 10 JJGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3C)nc3ccccn3c2=O)c1 39858888 SRQOKQAJZMNVIM-HKWRFOASSA-N 450.498 4.958 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-])c1cccc(Cl)c1 40658609 FRUKTMJIJLUMCA-UHFFFAOYSA-N 452.780 4.558 50 10 JJGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1/C(=N/NC(=O)c1cccnc1)CCC2 40814109 PYIPKXUGRZTNNT-IXNGNONCSA-N 460.509 4.574 50 10 JJGE CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)CCl)cc1OC 97914659 XGVAOXNQOGLSBZ-QHCPKHFHSA-N 479.042 4.913 50 10 JJGE CNC(=O)/C(C#N)=C1\S[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(C)c(C)c1 101240759 LEAVMIBOWIVLMO-ODXGNSPJSA-N 460.386 4.783 50 10 JJGE N#C/C(=C/NCCCCc1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216511236 VMWYHGWNIGZMAE-GNVQSUKOSA-N 478.640 4.940 50 10 JJGE C[C@H]1CCC[C@@](CBr)(NC(=O)c2ccc(F)cc2I)C1 235625620 JDPHELUPIXSUSW-ZUZCIYMTSA-N 454.121 4.504 50 10 JJGE CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)NN=Cc1cc(OC)ccc1OC(C)=O 252614142 JGJDTZMDDMRJJQ-HXUWFJFHSA-N 499.361 4.844 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccccc1C(F)(F)F 252634615 WPEOJUACNOBDAC-UHFFFAOYSA-N 462.859 4.855 50 10 JJGE O=C(CNc1ccc(I)cc1)NN=Cc1cccc(Oc2ccccc2)c1 254749515 GHPKJANWIVEBBC-UHFFFAOYSA-N 471.298 4.646 50 10 JJGE Cc1ccc(SCCC(=O)NN=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 254833255 DPPIUSPHYGJYMV-NRFANRHFSA-N 475.614 4.884 50 10 JJGE Cc1cccc(C(=O)N2CCCC[C@H]2C[C@@H](C)Br)c1I 312410425 RNQFQWNXTNPTGQ-OLZOCXBDSA-N 450.158 4.768 50 10 JJGE C[C@@H]1CC[C@H](CBr)CN1C(=O)c1cc(Br)cc(Br)c1 688706983 VDIHQJFPANWFPQ-NXEZZACHSA-N 454.000 4.847 50 10 JJGE CN(C[C@H]1CCC[C@@H]1Cl)C(=O)c1cc(I)ccc1Br 689330475 IMTNTDNNMSUMJF-RNCFNFMXSA-N 456.549 4.533 50 10 JJGE ClCCc1nc2cc(I)ccc2n1Cc1ncc(Br)s1 714928478 ZWIRQVOVOOZRLK-UHFFFAOYSA-N 482.572 4.690 50 10 JJGE Cc1ccc(C)c(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)c1 725383657 YRJRCXMRYSWTED-UHFFFAOYSA-N 467.367 4.562 50 10 JJGE O=C(CCCNc1ccc(Cl)cc1)NN=Cc1cc(Br)c(O)c(Br)c1 1084606687 SRCRLQGNIXGYIP-UHFFFAOYSA-N 489.595 4.913 50 10 JJGE Cc1cc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)no1 1772745688 HWHHWVOUSBKUMY-UHFFFAOYSA-N 461.305 4.914 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc(Br)c(C)c2)ccc1OCc1ccccc1 1772754726 RJMKQDXWOHIKPY-UHFFFAOYSA-N 483.362 4.874 50 10 JJGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccccn1 1865693927 RYUGIMPHCALCFF-QHCPKHFHSA-N 479.540 4.950 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)c(OC)c1 1865707880 ILRTZHVEDPZXIP-DEOSSOPVSA-N 482.515 4.973 50 10 JJGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865710876 KKOBJIXBBDTDTI-HSZRJFAPSA-N 494.979 4.781 50 10 JJGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@@H](C)C2CCCC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867017198 JUKAQELXCMBIKU-XDHUDOTRSA-N 479.602 4.677 50 10 JJGE CC/C(=C\C(=O)NCC(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1868159663 CHTVXBUDVJGZKU-GXDHUFHOSA-N 474.380 4.579 50 10 JJGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C)[C@H](c3ccc(F)cc3)C2)n1 1868253547 KXPKNXHPEMSWHC-QFIPXVFZSA-N 478.597 4.614 50 10 JJGE CC(C)c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(Cc2ccc4c(c2)OCO4)C3=O)n1 1872751099 XYWHUEPYJAVAOF-PYCFMQQDSA-N 473.510 4.741 50 10 JJGE O=C(CCCBr)CCc1ccc(I)c(Br)c1 1904329780 NSHXWBOBDREHMI-UHFFFAOYSA-N 459.947 4.731 50 10 JJGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1ccc(Br)c(F)c1 1916383104 CPPIUISDMDGROI-OAHLLOKOSA-N 459.153 4.641 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 1985346494 CXYRFIUBICTWFJ-MRXNPFEDSA-N 463.710 4.518 50 10 JJGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)ccc1[N+](=O)[O-] 2013180205 WDDYWTVTYMSVCV-LBPRGKRZSA-N 456.134 4.783 50 10 JJGE O=C(c1csc(Br)c1Br)N1CC[C@@H](Br)C2(CC2)C1 2032953784 QCGXGUZYKIEUOA-MRVPVSSYSA-N 458.013 4.663 50 10 JJGE C=CC[C@@](C)(CBr)CNC(=O)c1cc(Br)c(Br)s1 2082050493 SDMYXVMPXJHMNT-LBPRGKRZSA-N 460.029 4.980 50 10 JJGE CCCN1CCC[C@@H]([C@H](Br)c2cscc2OCc2ccccc2)S1(=O)=O 2100080656 XDEIQJXCCIYAJA-RBUKOAKNSA-N 458.443 4.967 50 10 JJGE Cc1cc(Br)c([C@H](Br)[C@@H]2CO[C@H]3COC[C@@H]23)cc1Br 2101883581 AESTZIKYALTYFZ-DJBIQUGXSA-N 454.984 4.617 50 10 JJGE COc1cc(Cl)c([C@@H](Br)c2cc(I)sn2)cc1OC 2120030159 BFBBAVSIJNCBQQ-GFCCVEGCSA-N 474.545 4.903 50 10 JJGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCS(=O)(=O)C2)c1Br 2136378112 BPOGPVOSQCQYRS-TVQRCGJNSA-N 475.040 4.699 50 10 JJGE CC1(C)CC[C@H](CBr)N1C(=O)c1cc(Br)cc(Br)c1 2140848964 HAZGBQGFSXQOHV-GFCCVEGCSA-N 454.000 4.990 50 10 JJGE CC(C)(C)N1C[C@H](Br)[C@H](Cc2ccc(I)c(Cl)c2)C1 2142936702 KVQLJXLKYKNZOA-NEPJUHHUSA-N 456.593 4.981 50 10 JJGE ClCc1nc2cncc(Br)c2n1Cc1cccc(I)c1 2175857452 SJDHGVNIQHDTIV-UHFFFAOYSA-N 462.516 4.586 50 10 JJGE O=C(c1cc(Br)cc(C(F)(F)F)c1)N1CCC(I)CC1 2198573763 XMYOQICRMWUYQQ-UHFFFAOYSA-N 462.047 4.508 50 10 JJGE CC(C)(C)OC(=O)N[C@H]1CN(CCCCCI)C2(CCCCC2)C1 2214711336 JPBZNQOWEWQYIJ-MRXNPFEDSA-N 450.405 4.894 50 10 JJGE CC[C@@H](CCCBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277929574 VRZWYJJPVDNRQX-ZDUSSCGKSA-N 456.016 4.824 50 10 JJGE O=C(N[C@@H]1CCCC[C@H]1CCBr)c1c(F)cccc1I 2282810802 XEONJTPCASCZBU-GXFFZTMASA-N 454.121 4.504 50 10 JJGE COc1cccc(Cn2cc(C=C(C#N)C(=O)NCCc3ccc(OC)c(OC)c3)c3ccccc32)c1 2295672379 SCUYCBHGZFNZOY-UHFFFAOYSA-N 495.579 4.981 50 10 JJGE CN(C)c1ccc(C=C(NC(=O)c2cccc(F)c2)C(=O)NN=Cc2cccc3ccccc23)cc1 2297104902 KRLVKVAVQOMUTC-UHFFFAOYSA-N 480.543 4.966 50 10 JJGE Cc1cc(C=C(C#N)C(=O)OCC(=O)Nc2ccccc2OC(F)F)c(C)n1-c1ccccc1F 2297335615 SUAGTPJLVGUPNL-UHFFFAOYSA-N 483.446 4.924 50 10 JJGE CC(C)(CI)CN1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 2306819253 SAJJAGHXGPMRMS-UHFFFAOYSA-N 450.405 4.703 50 10 JJGE CCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)OC)cc2OC)cc1OCC 2314807884 GTGRNQXAHXRMIL-UHFFFAOYSA-N 479.529 4.972 50 10 JJGE CC(C)c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(Cc2ccc4c(c2)OCO4)C3=O)n1 2331327813 XYWHUEPYJAVAOF-UHFFFAOYSA-N 473.510 4.741 50 10 JJGE CC(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc5c(c4)OCCO5)cs3)cc2C1=O 2331330034 MMRHKNPIFFNVET-UHFFFAOYSA-N 473.510 4.536 50 10 JJGE C[C@H]1CCc2c(sc3nc(/C(C#N)=C/c4ccc(N5CCCC5)c([N+](=O)[O-])c4)[nH]c(=O)c23)C1 9540486 IVRZDMCANFBSSD-LUYJPIOASA-N 461.547 4.682 50 10 JJGE O=C(NNC(=O)c1ccccc1OCc1ccccc1)c1ccccc1OCCc1ccccc1 10509406 IPQHGMXZGPKTIQ-UHFFFAOYSA-N 466.537 4.962 50 10 JJGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2)cc1 38650234 IIUYSBWEPHANHO-QUGAMOGWSA-N 470.525 4.849 50 10 JJGE CCN(c1cccc(C)c1)c1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1N 40661897 MXJRTNTVMWTQQU-UHFFFAOYSA-N 452.562 4.800 50 10 JJGE CCOc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814546 MPVHQDVIFQBIBI-VFCFBJKWSA-N 490.516 4.547 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(-c3cc(C(=O)OC)ccc3Cl)o2)cc1 58894653 JEEXBSRUZKTCIF-QYJQOTDOSA-N 484.936 4.749 50 10 JJGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C/C(Br)=C/c1ccccc1 59181280 STUYVQXPHQDXMU-GCHIWMQPSA-N 451.246 4.593 50 10 JJGE CC(C)C[C@@H](CBr)NC(=O)c1cc(Br)ccc1I 232588242 OSIBVPUPICMACY-JTQLQIEISA-N 488.989 4.593 50 10 JJGE COc1cc(OC)c(C=NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1Br 252461143 KYTJAWDYHAHUTJ-UHFFFAOYSA-N 496.361 4.791 50 10 JJGE O=C(NC[C@@H]1CCC[C@H](CCl)C1)c1cc(I)ccc1Br 312507910 RQGNGCUFJNZGEI-WDEREUQCSA-N 470.576 4.829 50 10 JJGE CC(C)(C)OC(=O)[C@@H](CCI)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 396498622 TUSGWQNIRRDKDI-GFCCVEGCSA-N 485.359 4.694 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 398749944 VIEGCIRUVCNQLD-ZMLRMANQSA-N 466.011 4.847 50 10 JJGE BrCC(CBr)(Cc1ncccc1Br)C1CCOCC1 696849575 BGIUNAZVFPLGLU-UHFFFAOYSA-N 456.016 4.589 50 10 JJGE COc1cc(C)c(Br)cc1[C@H](Br)c1cn(C)c(Br)n1 698452365 YKRBNZYOQQERNI-LBPRGKRZSA-N 452.972 4.746 50 10 JJGE CN(C[C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CCl)sc1Br 720024694 DVTDIYIPDVJUSV-MRXNPFEDSA-N 491.904 4.782 50 10 JJGE COc1ccc(CCC(=O)NN=C2C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)c(O)c1 1084329191 VRKBGKLXFYRRFL-UHFFFAOYSA-N 498.366 4.708 50 10 JJGE CC(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2cccc(C)c2)cc1 1084387847 MFPKBLJVRKYNBE-UHFFFAOYSA-N 494.345 4.699 50 10 JJGE CC(=NNC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1ccc(C)cc1 1084392774 XQIJPQMGRPTAAZ-UHFFFAOYSA-N 469.994 4.769 50 10 JJGE COc1ccccc1NC(=O)C(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 1084527219 HJIDUGAMOALDQW-UHFFFAOYSA-N 472.328 4.670 50 10 JJGE C/C(=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(=O)NNC(=O)N(C)C 1442468480 GEFLPKFVSRLQKK-CAPFRKAQSA-N 459.546 4.550 50 10 JJGE COc1ccccc1-c1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c(C)n1 1865760447 XYOGDYLLTBNCAV-UHFFFAOYSA-N 488.371 4.993 50 10 JJGE C/C(=N\NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C)c1ccc2c(c1)N(C)C(=O)CO2 1865763320 GDZCZHVZZWTVID-XODNFHPESA-N 483.355 4.873 50 10 JJGE COCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)C[C@H]1C 1868207563 NZKWQCNMPQHKSJ-OYRHEFFESA-N 488.661 4.930 50 10 JJGE Oc1nc2cc([C@@H](Br)c3csnc3Br)c(Br)cc2[nH]1 1925250842 PBPDFBAMKAXBOP-SECBINFHSA-N 467.968 4.734 50 10 JJGE C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br 2009622281 OYSJFPQDVIBSQU-GFCCVEGCSA-N 477.218 4.926 50 10 JJGE O=C(NC1CC([C@@H](F)CBr)C1)c1cc(Br)c(Br)s1 2078362663 WOKAQNQQELBVRF-QIECLKSESA-N 463.992 4.515 50 10 JJGE C[C@@H](Br)C[C@@H]1CCCN1C(=O)c1c(Br)cccc1Br 2094089230 UKGOKVGIZRWIFX-ZJUUUORDSA-N 454.000 4.990 50 10 JJGE C[C@]1(CBr)CCCN(C(=O)c2c(Br)cccc2Br)C1 2094096008 SMDNNDCYUWRHLQ-CQSZACIVSA-N 454.000 4.849 50 10 JJGE Cn1nc(C[C@@H](CBr)Cc2ccc(Br)cc2)cc1Br 2111925587 ZELWMFSQUBDHNT-NSHDSACASA-N 451.000 4.741 50 10 JJGE COc1c(C)cc(Br)cc1[C@H](Br)c1cn(C)c(Br)n1 2141625571 WGRMPCVOTSHONC-NSHDSACASA-N 452.972 4.746 50 10 JJGE Cc1ccccc1C(CBr)(CBr)Cc1c(Br)cnn1C 2143634644 OOZVQUJRSTYQFX-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE C[C@@]1(CBr)CC(F)(F)CN1C(=O)c1ccc(Br)cc1Br 2159048158 BIPSLYNPVRLLHC-LBPRGKRZSA-N 475.953 4.846 50 10 JJGE C[C@H]1CN(C(=O)c2cc(I)ccc2Br)CC[C@@H]1CCCl 2172472125 GGNIYTVDUMJXOF-QWRGUYRKSA-N 470.576 4.781 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CC[C@@H](CCl)C12CCC2 2190347851 RPZDANZZOSFXJS-JTQLQIEISA-N 468.560 4.677 50 10 JJGE Cc1ccc(I)c(C(=O)N[C@H](CBr)c2ccsc2)c1 2232163034 BOOZLDAIYOZQTL-CYBMUJFWSA-N 450.139 4.527 50 10 JJGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC(Br)C1 2241637934 PWUPFRPWIJMXRO-OCJFHSIUSA-N 485.422 4.982 50 10 JJGE CC(C)(C)[C@H]1[C@@H](Br)CCN1C(=O)c1ccc(Cl)c(I)c1 2283668748 MDUMZUURHDHAPM-GXFFZTMASA-N 470.576 4.969 50 10 JJGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCc3ccco3)c(Oc3ccc(C(C)(C)C)cc3)nc12 2296719401 MHYYZVDXXBJPDX-UHFFFAOYSA-N 482.540 4.909 50 10 JJGE C[C@H](OC(=O)C(C#N)=Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 2297487107 GXFWIUAHRJHXCB-GJZGRUSLSA-N 460.361 4.775 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1C[C@@H]2CC[C@H]1C[C@H]2NC(=O)OC(C)(C)C 2298493623 QEZNCDTZSOBAAF-XLAORIBOSA-N 475.721 4.564 50 10 JJGE CN(Cc1ccc(I)c(Br)c1)C1CC(CBr)C1 2306225659 DEYSMBIKDDXWPV-UHFFFAOYSA-N 472.990 4.659 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(Cl)cc2)c(OC)c1 2314785815 PODFKXYRVYPOMA-UHFFFAOYSA-N 470.953 4.936 50 10 JJGE CC(C)CN1C[C@H](Cc2ccc(Cl)cc2I)[C@@H](Br)C1 2341060692 YINDFKVXQGWHEX-JSGCOSHPSA-N 456.593 4.838 50 10 JJGE Cc1ccc(-c2csc3[nH]c(SCC(=O)N/N=C/C=C/c4ccccc4)nc(=O)c23)cc1 2613903 NXDIQKRDLDBZKP-UAPAKVGBSA-N 460.584 4.868 50 10 JJGE CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 9873644 GVKGFYWVUZZGCM-ZIAGYGMSSA-N 483.790 4.610 50 10 JJGE O=C(NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1 12502702 DSWPIEALUPPCMW-UHFFFAOYSA-N 479.605 4.673 50 10 JJGE CCCc1nc(N2CCCN(C(=O)C(C)(C)CCl)CC2)c2c(C)nn(-c3ccc(F)cc3)c2n1 37378013 GEBGTJHMQVSUIG-UHFFFAOYSA-N 487.023 4.519 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@H]1c1ccc(F)cc1 38653295 JYORKMCOFBQORU-OAQYLSRUSA-N 465.824 4.825 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1OCC 38679028 RHXWRUNJERJTAJ-SANMLTNESA-N 486.524 4.930 50 10 JJGE O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1cccnc1-c1nc2ccccc2s1 39881393 XAYPYUVKFMTAHO-UHFFFAOYSA-N 473.341 4.505 50 10 JJGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1cc(Br)ccc1O 58990140 PFQDIYCWEHIIEV-KEBDBYFISA-N 495.380 4.695 50 10 JJGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246604 MMCMCYSTWXSTPF-HEQFHQOESA-N 485.565 4.769 50 10 JJGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)C1=O 101332795 YHCARFOBRDLTCA-LSPPGFKNSA-N 478.552 4.865 50 10 JJGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCOC)cc1 102680068 OCXXSRGQJJATSX-PYCFMQQDSA-N 458.562 4.778 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)cc1 214204432 VCKAROVXKGQDAU-HAHDFKILSA-N 452.514 4.550 50 10 JJGE CCOc1ccc(NC(=O)C(=O)NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 254705603 DENBOIWHZCRLGH-UHFFFAOYSA-N 481.508 4.547 50 10 JJGE CCn1cc([C@@H](Br)c2ccc(OC)cc2Br)nc1Br 698366914 ABKWDSDTSURVCC-LBPRGKRZSA-N 452.972 4.921 50 10 JJGE CN(CCN(C)c1ccccc1)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 730756924 CMKJXMFFFRNNJN-HEHNFIMWSA-N 472.980 4.619 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)c(C)n1-c1ccc(F)cc1 915151387 CBYYTAWZCNUXFP-LZYBPNLTSA-N 464.884 4.763 50 10 JJGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 1084022246 RSTJAATXVSASPE-UHFFFAOYSA-N 491.613 4.720 50 10 JJGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1ccc(Cl)cc1 1084094668 NCDUFYAHVIUZFY-UHFFFAOYSA-N 476.005 4.948 50 10 JJGE C=CCOc1ccc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 1084594190 BQSJCNUKLKWZLX-UHFFFAOYSA-N 498.004 4.635 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc(Br)c1O 1865689103 JWUXLRONOAAFCK-OAQYLSRUSA-N 495.377 4.552 50 10 JJGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2CCC 1865693865 RHHCUALVXWTJBT-JOCHJYFZSA-N 474.561 4.984 50 10 JJGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865699343 RCRWDPWSHKJWQY-XMMPIXPASA-N 474.524 4.653 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)c1OC 1865700909 HMKMXGGNKCJECN-QHCPKHFHSA-N 482.515 4.973 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)c(OC)c1 1865708458 XFSNZHPITDDEQD-NRFANRHFSA-N 471.344 4.782 50 10 JJGE CCC[C@H](NC(=O)Cc1nc(-c2ccccc2OC)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866669698 HDKQJUQWRDOBMO-FQEVSTJZSA-N 478.574 4.698 50 10 JJGE COc1ccc([C@H](C(=O)N[C@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866986760 PXXKGEWADGIJPX-FGZHOGPDSA-N 471.648 4.885 50 10 JJGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cccc(Br)c1 1915073846 KKILIYPQELXPHO-OAHLLOKOSA-N 461.219 4.814 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@@H](Br)CC2(CC2)C1 1926005564 WCLBKJIQMYYBPY-ZETCQYMHSA-N 458.013 4.663 50 10 JJGE C[C@H](NC(=O)c1cc(Br)cc(Br)c1)[C@H]1CCC[C@@H]1Br 2111559068 VIFITJDTVHAXSZ-CKLFPEKLSA-N 454.000 4.894 50 10 JJGE CC1(C)OCCO[C@H]1COc1c(Br)cc(Br)cc1CBr 2186968712 QOGOLCBOSBFPOX-LBPRGKRZSA-N 472.999 4.679 50 10 JJGE O=C(N[C@@H](CBr)[C@H]1CC=CCC1)c1cc(Cl)ccc1I 2196151141 NRNHNGLVCHZQAQ-HZMBPMFUSA-N 468.560 4.794 50 10 JJGE C[C@@H]1[C@H](Cl)C[C@H]2CC[C@H]1N2C(=O)c1ccc(Br)cc1I 2207275463 LWVNXLYPZIWEKX-ZJIMWXPPSA-N 468.560 4.674 50 10 JJGE BrCc1cc(Br)c(OCC23COCC(C2)C3)c(Br)c1 2228078681 UFMLZYIMPGPWCY-UHFFFAOYSA-N 454.984 4.912 50 10 JJGE CC(C)CN(C[C@@H](C)Cl)C(=O)c1ccc(Br)cc1I 2272443586 ZIECTTJKHWBCRF-SNVBAGLBSA-N 458.565 4.779 50 10 JJGE CC1(C)[C@H]2CO[C@@]1(CO[C@@H](CI)c1ccccc1Br)C2 2289221301 DXNXVBBHRQZATP-DIOULYMOSA-N 451.142 4.757 50 10 JJGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(F)c(Br)c2)cc1 2297298853 LBRYNFYAHBTHTR-UHFFFAOYSA-N 496.336 4.518 50 10 JJGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592448 UFIQSPLHLIEVEV-QHCPKHFHSA-N 473.529 4.899 50 10 JJGE COc1cc(C=NNC(=O)c2sc(=N)[nH]c2C)ccc1OCc1ccc(C(C)(C)C)cc1 2323126880 QWBHESBWSNIEAP-UHFFFAOYSA-N 452.580 4.513 50 10 JJGE Cc1ccc(-c2csc3ncn(CC(=O)N/N=C/c4ccc(C(C)(C)C)cc4)c(=O)c23)cc1 1784555 GYWQVZMDJKYOMG-XODNFHPESA-N 458.587 4.881 50 10 JJGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1C 10153105 VVXHEQSQLXQXOF-SFHVURJKSA-N 497.389 4.727 50 10 JJGE Cc1cc(OCC(=O)NNC(=O)c2ccc(C(C)(C)C)c(Br)c2)ccc1Br 12492744 OIRCNMQQEFORBS-UHFFFAOYSA-N 498.215 4.658 50 10 JJGE COc1cc(/C=C(/C#N)c2ccccc2)ccc1OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 31901854 RHKHUAZBOQBJMT-QJOMJCCJSA-N 488.565 4.763 50 10 JJGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C)c(C)c3)ccc21 38650535 HOJAXMXSWRFVBI-HHHXNRCGSA-N 470.525 4.905 50 10 JJGE COc1ccc(C)cc1Nc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40584004 FJNBNKQWQBXEHH-UHFFFAOYSA-N 463.281 4.509 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(Cl)cc2Cl)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40650213 UBHHVUAINALGJD-UHFFFAOYSA-N 498.670 4.754 50 10 JJGE O=C(NNc1ncnc(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-])c1ccccc1Cl 40658343 IHETVMWQDAWDJO-UHFFFAOYSA-N 488.213 4.606 50 10 JJGE CCCOC(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40822101 UCGHHBCSZQNTHR-BUVRLJJBSA-N 453.322 4.697 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)cc1 102858411 DBKXXUBFTNZHKW-RNEGFDSTSA-N 456.546 4.530 50 10 JJGE COc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NCCc3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 102976663 OEDNAHUVGQSQNH-HFVAWESISA-N 497.620 4.789 50 10 JJGE CC(C)([C@@H](Br)c1cc(Br)c(Br)s1)S(C)(=O)=O 128229609 RTQYONHSMSTKEN-ZETCQYMHSA-N 455.031 4.532 50 10 JJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1=O 214303275 NTWIOORPCSEIDI-HAHDFKILSA-N 474.557 4.602 50 10 JJGE Cc1ccc(C)c(OCC(=O)NN=Cc2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c1C 254556337 CLRYFOLYWFGKSK-UHFFFAOYSA-N 478.461 4.750 50 10 JJGE CCn1c(SCC(=O)NN=C(C)c2ccc3ccccc3c2)nnc1-c1ccc(OC)cc1 254588563 CNKFHDOSGBGQFI-UHFFFAOYSA-N 459.575 4.759 50 10 JJGE Oc1ccc(Br)cc1[C@@H]1CN(Cc2ccccc2)C[C@@H]1CI 382728889 SPBPFHWNDVAYOY-WMLDXEAASA-N 472.164 4.805 50 10 JJGE O=C(CBr)c1cc(Br)c(I)cc1C(F)F 575685268 KBKALCVUSJYIHE-UHFFFAOYSA-N 453.846 4.569 50 10 JJGE CO[C@]1(CC(CBr)(CBr)c2ccc(Br)cc2)CCOC1 692462609 OCJUWSCRRCJWJY-HNNXBMFYSA-N 471.027 4.672 50 10 JJGE C[C@]1(CBr)CCCCN1S(=O)(=O)c1cc(Br)ccc1Br 723004120 AOIPHKXKEYZWQS-CYBMUJFWSA-N 490.055 4.540 50 10 JJGE C[C@@H](NC(=O)NNC(=O)c1cn(C)c2ccccc12)c1ccc(OCc2ccc(F)cc2)cc1 728601660 ARERCVIALDOALV-QGZVFWFLSA-N 460.509 4.602 50 10 JJGE Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1C=NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 1083904766 SFSOPMDRXPINDT-AWEZNQCLSA-N 476.320 4.622 50 10 JJGE Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCc3ccc(Br)cc3)cc2)cc1C 1084093660 YAAMBNQUUWXYNL-UHFFFAOYSA-N 480.362 4.734 50 10 JJGE CC(=NNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(C)cc1 1084616816 ACJAZOQDGUIKRN-UHFFFAOYSA-N 469.994 4.693 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)cc1 1865694830 CTDCDPZRPIAYFL-FQEVSTJZSA-N 465.351 4.814 50 10 JJGE Cc1csc(C(=O)N[C@@H](CCBr)COCc2ccccc2)c1Br 1902792723 MVUMPBKSFLPBFG-AWEZNQCLSA-N 461.219 4.919 50 10 JJGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cccc(F)c1Br 1916383886 RAFUKUWILCGPPS-CQSZACIVSA-N 459.153 4.641 50 10 JJGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cc(Br)n(C)n1 2094083214 YORVRNAGPLDYGM-GFCCVEGCSA-N 456.935 4.577 50 10 JJGE C[C@H](NC(=O)c1ccc(Br)cc1Br)[C@@H]1CCC[C@H]1Br 2111558018 LXHJWAWDIBGICI-PTOFAABTSA-N 454.000 4.894 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCOc2ccc(Br)cc21 2125294192 SRJHHRIXXNAYSY-OAHLLOKOSA-N 463.463 4.768 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1csc(Br)c1Br 2139716057 XSUSILFAFVYTTI-ZRUAGYDASA-N 472.040 4.955 50 10 JJGE BrCCCO[C@H]1CCN(Cc2cc(Br)ccc2Br)C1 2142053534 RVAQPASIDQJASQ-ZDUSSCGKSA-N 456.016 4.588 50 10 JJGE Cc1ccc(C(CBr)(CBr)Cc2c(Br)cnn2C)cc1 2143635882 WIKDDTZRYZLJBB-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE CN(C(=O)c1ccc(F)cc1I)[C@@H]1CCCCC[C@@H]1Br 2172545878 BKYJLDXOINSWCA-GXTWGEPZSA-N 454.121 4.599 50 10 JJGE CC(C)(C)[C@@H]1[C@H](Cl)CCN1C(=O)c1ccc(Br)cc1I 2207263067 VOXWZRFTXSNUBJ-YPMHNXCESA-N 470.576 4.922 50 10 JJGE Cc1cc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)cc(C)c1Br 2227424010 DPMFFCFGTUBKLG-UHFFFAOYSA-N 463.463 4.702 50 10 JJGE Cc1ccc(C(=O)NCC[C@@H]2CCCC[C@H]2Br)cc1I 2232836180 DIIMJNDFFRSSLR-GXTWGEPZSA-N 450.158 4.673 50 10 JJGE Cc1cc(C(=O)N(C[C@@H](C)Br)CC(C)(C)C)ccc1I 2288052634 PSLZSBVYSJFPPU-GFCCVEGCSA-N 452.174 4.871 50 10 JJGE Cc1ccc(C(=O)N(C[C@H](C)Br)CC(C)(C)C)cc1I 2288054897 ZCDSDUOQPNUEIT-LBPRGKRZSA-N 452.174 4.871 50 10 JJGE CNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 2293039250 SQQCYHCTBYGNLX-QGZVFWFLSA-N 466.777 4.819 50 10 JJGE CC1=CC(C)(C)N2C(=O)C(=C(C#N)C#N)c3cc(OC(=O)C=Cc4cccc([N+](=O)[O-])c4)cc1c32 2294076195 YHRLRDBYDBOMIJ-UHFFFAOYSA-N 466.453 4.556 50 10 JJGE BrCC1=CCN(Cc2ccc(I)c(Br)c2)CC1 2306215776 YWEIVVPCZBVTSP-UHFFFAOYSA-N 470.974 4.581 50 10 JJGE CCOC(=O)c1ccc(-n2c(C)cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1 2313545938 PUISXIWOIFUJBG-UHFFFAOYSA-N 482.584 4.527 50 10 JJGE Cc1sc(C)c(S(=O)(=O)N[C@H](CCCl)COCc2ccccc2)c1Br 2320661118 CWZAEBMBEZQFLU-OAHLLOKOSA-N 466.850 4.620 50 10 JJGE BrCc1cnccc1OCc1ccc(I)c(Br)c1 2325386033 INFXZIDBVQHXPQ-UHFFFAOYSA-N 482.941 4.923 50 10 JJGE CCOC(=O)c1c(C)nn(-c2cccc(F)c2)c1NC(=O)C(C#N)=Cc1cccc(Cl)c1 2329687474 ZWDCWBKEDXDAGQ-UHFFFAOYSA-N 452.873 4.696 50 10 JJGE COc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1OC 2329709004 YHKSQXAUNAPAEE-MRXNPFEDSA-N 467.591 4.561 50 10 JJGE COc1ccc(CCO[C@H](CCl)[C@H](I)CCl)c(Br)c1 2339258747 YGYVHEBVBCCWMP-CHWSQXEVSA-N 481.983 4.667 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCCS1(=O)=O 2339651180 MZCFAOGMTQCTMK-WPRPVWTQSA-N 479.003 4.672 50 10 JJGE CC(C)[C@H]1C[C@@H](Br)CN1C(=O)c1c(Br)cccc1Br 2344617028 WLCJALBIGYBARJ-BXKDBHETSA-N 454.000 4.846 50 10 JJGE CCn1nc(Br)c(C[C@H](CBr)c2ccccc2Br)n1 2351800493 CSMXDJCOMNCSSC-SECBINFHSA-N 451.988 4.544 50 10 JJGE C[C@]12C[C@H](C1)[C@H](CO[C@H](CI)c1cccc(Br)c1)CO2 2366736729 XMVSHYRPHKDXBH-XOUADPBQSA-N 451.142 4.757 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(OC)cc4)c32)ccc1OC(=O)c1ccco1 8569250 OFBOXVQRFYABAX-JOCHJYFZSA-N 498.495 4.514 50 10 JJGE C/C(N)=C(/C#N)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 9630682 PEPKYDIWRHFZDF-DAQLICAISA-N 482.496 4.502 50 10 JJGE Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 13993281 UQIMFCQLBKMBAV-IBGZPJMESA-N 473.573 4.773 50 10 JJGE N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccc(Cl)cc1 33592309 AKYFMJNEGACIPV-DTQAZKPQSA-N 483.889 4.562 50 10 JJGE CN(C)c1ccc(NC(=O)CCCCl)cc1CN(C[C@@H]1CCCO1)C(=O)c1cccs1 34921653 TVBMWTDQWSWAKO-IBGZPJMESA-N 464.031 4.593 50 10 JJGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OC)cc1 38650077 YIGWXASPWMPTKH-MRDQGFSESA-N 470.525 4.849 50 10 JJGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)c1 38651577 UBWLBAMSAULJLT-JOCHJYFZSA-N 477.314 4.895 50 10 JJGE Cc1ccc(C(=O)NNc2ncnc(Nc3ccc(Cl)c(C(F)(F)F)c3)c2[N+](=O)[O-])cc1 40657486 USRHNMOKMIRCLC-UHFFFAOYSA-N 466.807 4.866 50 10 JJGE Cc1ccc2c(Nc3ncnc(NNC(=O)c4cccc5ccccc45)c3[N+](=O)[O-])cccc2n1 40658776 VIXZOZSPUDAMSR-UHFFFAOYSA-N 465.473 4.895 50 10 JJGE COc1ccc(/C=C(\C#N)C(=O)N(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 40971412 YHLILXPDEZRLDD-XMHGGMMESA-N 496.972 4.995 50 10 JJGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)C1=O 101332422 DCNVHNFHTGHVFB-UDWIEESQSA-N 472.932 4.813 50 10 JJGE CCCOc1cccc(/C=N\NC(=O)c2cccn(Cc3ccc(Cl)c(Cl)c3)c2=O)c1 169920445 LMEIALOERXZBNE-WGARJPEWSA-N 458.345 4.756 50 10 JJGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2)C1=O 214215626 GIBIACUCTWMENZ-JLPGSUDCSA-N 466.541 4.940 50 10 JJGE CC(C)(C)c1cc(CCC(=O)NN=Cc2ccc(OCC(=O)O)cc2)cc(C(C)(C)C)c1O 252610065 HYVIAPCHSKXOAC-UHFFFAOYSA-N 454.567 4.534 50 10 JJGE CN(C)c1cccc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 253320022 NQCHOCKUUYBUCE-LVWGJNHUSA-N 465.601 4.506 50 10 JJGE Cc1ccc(COc2ccc(C=NNC(=O)CNC(=O)c3cccc4ccccc34)cc2)cc1 254871327 WHCCQXAOTLTGNU-UHFFFAOYSA-N 451.526 4.607 50 10 JJGE N#Cc1ccccc1OCC(=O)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1083987649 HFIUZXGPFJMFCH-UHFFFAOYSA-N 486.531 4.594 50 10 JJGE COc1ccc(NC(=O)C(=O)NN=Cc2cccc(OCc3c(Cl)cccc3Cl)c2)cc1 1084220153 WBUCVRNVCYFEJU-UHFFFAOYSA-N 472.328 4.670 50 10 JJGE COc1cc(C=NNC(=O)CCCOc2ccc(C)cc2Br)ccc1OC(C)C 1772755588 NFJGJCXXLAEJEI-UHFFFAOYSA-N 463.372 4.863 50 10 JJGE C/C(=C\c1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1866815308 XLHAIKDLORCDRX-MMYRTMNYSA-N 457.555 4.735 50 10 JJGE COc1cccc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1OCc1cccc(C)c1 1873792845 PNHXIMPTRTWNFG-WKULSOCRSA-N 486.524 4.527 50 10 JJGE CN(CC1CC(Br)C1)C(=O)c1cc(Cl)cc(Cl)c1I 1887852468 HYTVTDTYEZKGTQ-UHFFFAOYSA-N 476.967 4.844 50 10 JJGE Brc1ccc(I)cc1CO[C@@H]1CCC[C@@H]1Br 1902312185 CDXDRSJHFKWLRB-NWDGAFQWSA-N 459.947 4.886 50 10 JJGE Fc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)cc1F 2079243499 XDKAAXVBBSIIBW-UHFFFAOYSA-N 481.000 4.728 50 10 JJGE C[C@H]1C[C@H](Br)[C@H](C)CN1C(=O)c1cc(Br)cc(Br)c1 2093110862 FYZVNVZBECIHOM-ZDMBXUJBSA-N 454.000 4.846 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CCCC[C@@H](CBr)C1 2094095159 JIZZSQCRHZFGEG-JTQLQIEISA-N 454.000 4.849 50 10 JJGE CC1(C)CN(Cc2c(Br)cccc2Br)C[C@@H](CBr)O1 2094101021 YQMAGKBQIFQMIX-SNVBAGLBSA-N 456.016 4.586 50 10 JJGE C[C@@]1(CBr)CC(F)(F)CN1C(=O)c1csc(Br)c1Br 2102795130 OJRVMHXTQQYTAX-JTQLQIEISA-N 481.982 4.908 50 10 JJGE CC(F)(F)C[C@@H](CBr)NC(=O)c1cc(Br)cc(Br)c1 2113236205 RSBGRBUGSVZJOU-JTQLQIEISA-N 463.942 4.750 50 10 JJGE CN(C(=O)c1cc(Br)ccc1Br)C1(CCBr)CCC1 2140970604 GGQNLMIQYRBTDI-UHFFFAOYSA-N 454.000 4.991 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1C[C@H]2[C@@H](Br)CCC[C@H]2C1 2150957459 DWPPABQTXRHGHA-BIMULSAOSA-N 468.560 4.580 50 10 JJGE CN(CC[C@@H](Br)c1ccccc1)S(=O)(=O)C1CC(OCc2ccccc2)C1 2168117206 PVVRYSUEKMHLAR-XVAXZDLZSA-N 452.414 4.522 50 10 JJGE C[C@H]1[C@@H](Br)C[C@@H](C)CN1C(=O)c1scc(Br)c1Br 2220347235 FQUWHCCYZKAHRJ-CSMHCCOUSA-N 460.029 4.907 50 10 JJGE COc1ccc(Br)cc1S(=O)(=O)N(Cc1ccccc1)C(C)(C)CBr 2220398939 IGFHMGUERWBVGI-UHFFFAOYSA-N 491.245 4.822 50 10 JJGE C[C@]1(CBr)CCCN(C(=O)c2ccc(Cl)c(I)c2)C1 2268342297 SDYZBYYCZBHHLI-CQSZACIVSA-N 456.549 4.582 50 10 JJGE C[C@]1(CNC(=O)c2ccc(Cl)c(I)c2)CCC[C@H]1Br 2271302362 SZTVAPCWYOMJJZ-TZMCWYRMSA-N 456.549 4.628 50 10 JJGE Cc1nnsc1COc1c(Br)cc(CBr)cc1Br 2314330730 AIDKUGDJYZFJND-UHFFFAOYSA-N 456.985 4.845 50 10 JJGE CCc1ccc(-c2ccc(C(=O)NN=C(C)c3ccc4c(c3)N(CC)C(=O)CO4)c(C)n2)cc1 2321274838 IXWAFQOVRNVEOT-UHFFFAOYSA-N 456.546 4.519 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OCc2ccc(C)cc2)c1 2328821156 UWDFLUVKALUTSE-CVDCTZTESA-N 453.583 4.964 50 10 JJGE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C(C#N)=Cc1cccc(Cl)c1 2329687097 FCHHRUWVFAFJJJ-UHFFFAOYSA-N 455.942 4.520 50 10 JJGE CC(C)[C@@H](Br)c1cn(Cc2ccc(Cl)c(I)c2)nn1 2337193818 XFKKYJYNJBRVGR-CYBMUJFWSA-N 454.537 4.676 50 10 JJGE CCN[C@H](c1c(C)cc(Br)c(OC)c1Br)[C@H]1C[C@H]1Br 2339650928 KJJVBANZBHIYDL-RWEMILLDSA-N 456.016 4.963 50 10 JJGE CC(C)CN1C[C@@H](Br)[C@H](Cc2ccc(Cl)cc2I)C1 2341060694 YINDFKVXQGWHEX-TZMCWYRMSA-N 456.593 4.838 50 10 JJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(OCCc2ccccc2)cc1 14041588 QVWMJVDJZYVNHC-INIZCTEOSA-N 473.356 4.843 50 10 JJGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1 16739790 NLNKGODYAUVTPR-KVHSSYOWSA-N 477.973 4.984 50 10 JJGE COC(=O)c1ccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 19800732 XNCDCUCBKDPUFW-UHFFFAOYSA-N 492.988 4.767 50 10 JJGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3cccc(C)c3)nc3c(C)cccn3c2=O)cc1 33781838 MMOGLMMRDQODTC-HKWRFOASSA-N 450.498 4.958 50 10 JJGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2)CCC3)cc1 40811688 FMVCAPSNFLIHRU-ZXVVBBHZSA-N 451.910 4.973 50 10 JJGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813040 UPJXWWRMVJQMQH-WPWMEQJKSA-N 489.513 4.829 50 10 JJGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4cccc5cccnc45)c(C)c32)c1 40822430 DRFYBBAZRURQAF-ZTKZIYFRSA-N 469.497 4.834 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1 59224480 ACXNOCGIGKFNFQ-JMIUGGIZSA-N 476.916 4.880 50 10 JJGE CC1=C(C(=O)N/N=C/c2ccc(Cl)cc2Cl)[C@@H](c2ccccc2Cl)NC(=S)N1 59384888 CDRTUDSUYPHYRN-WFBSDAATSA-N 453.782 4.590 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC 59484811 MGOUDYILLIOOKN-RIYZIHGNSA-N 460.284 4.700 50 10 JJGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(OC)cc1 101241697 JYUVREGOIZUGFU-AKWGVZKHSA-N 488.396 4.730 50 10 JJGE COc1ccc(Cc2nc3cc(C(=O)N/N=C\c4ccccc4OCC(C)C)ccc3[nH]2)cc1 169925551 MNZAZCYUIBHTTP-NTFVMDSBSA-N 456.546 4.961 50 10 JJGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C\c3ccc(OC)cc3)ccc21 205642224 MXEISNZIGQAXSN-ZMLCQSFJSA-N 468.509 4.931 50 10 JJGE CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1 217154269 CJRZICHSFZVFIA-LVWGJNHUSA-N 494.595 4.616 50 10 JJGE COCCOCCCC(CBr)(CBr)c1ccc(Br)cc1 234749534 KCYYZMIZXVKNSJ-UHFFFAOYSA-N 473.043 4.920 50 10 JJGE CCCCc1ccc(OCC(=O)NN=Cc2cccc(OC(=O)c3ccc(OC)cc3)c2)cc1 254302236 DKYORBMQMILACX-UHFFFAOYSA-N 460.530 4.786 50 10 JJGE COCc1cc(C)nc(SCC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c1C#N 254478566 CJZSGWBYHPAFJT-UHFFFAOYSA-N 482.009 4.711 50 10 JJGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1cc(OC)c(OC)c(OC)c1 254700815 CTDZLMRBNLXRDG-UHFFFAOYSA-N 477.646 4.980 50 10 JJGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C(C)/C=C/c2ccccc2)cc1OC 254816387 MPPFEAPKGKNHLG-PQTDBNOBSA-N 469.541 4.680 50 10 JJGE CCOc1ccc(Br)cc1[C@@H](Br)c1cnn(C)c1Br 381855711 CTPWVEBBUSUCHJ-GFCCVEGCSA-N 452.972 4.828 50 10 JJGE C[C@H](Br)[C@@H]1CCCN(C(=O)c2cc(Br)ccc2Br)C1 689044003 QFLYBCDBBCNYLF-VHSXEESVSA-N 454.000 4.847 50 10 JJGE C[C@H](Cl)c1nc2cc(I)ccc2n1Cc1cc(Br)no1 718883197 CQZKCGPAMMJUPZ-ZETCQYMHSA-N 466.504 4.740 50 10 JJGE CC(C)(C)OC(=O)Nc1cc(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)ccc1F 730447913 HMFQBQIYDIFSBK-UHFFFAOYSA-N 497.498 4.966 50 10 JJGE Cc1ccsc1C=NNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 1083929475 CPRBRYWYESYJNQ-UHFFFAOYSA-N 482.414 4.709 50 10 JJGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680342 HULIGOBVSUQIBC-QFIPXVFZSA-N 486.915 4.831 50 10 JJGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C[C@@](C)(CBr)C(C)(C)C)C1 1904844440 JWWZKVGKGHFXFR-HSZRJFAPSA-N 483.491 4.918 50 10 JJGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1 1977927751 BIYCEOUTJAUHBQ-UHFFFAOYSA-N 497.455 4.687 50 10 JJGE O=C(NC[C@@H](CBr)C1CCC1)c1cc(Br)sc1Br 2029475805 SYBMFQMXTWQCAE-MRVPVSSYSA-N 460.029 4.814 50 10 JJGE O=C(CBr)c1c(OC(F)(F)F)ccc(C(F)(F)F)c1I 2055152057 XVXSAFXCAFDQDV-UHFFFAOYSA-N 476.936 4.786 50 10 JJGE FC(F)(F)c1c(I)c(CCl)nn1Cc1ccc(OC2CC2)cc1 2079210278 MZEDTUOTFZFSRA-UHFFFAOYSA-N 456.633 4.835 50 10 JJGE C[C@H]1C[C@@H](Br)CCN(C(=O)c2ccc(I)c(Cl)c2)C1 2103287233 PAEIGFVBOJVUQL-ONGXEEELSA-N 456.549 4.580 50 10 JJGE C[C@H](NC(=O)c1cc(Br)ccc1Br)[C@@H]1CCC[C@@H]1Br 2111557896 KVXYHYIQFLOFQD-PEXQALLHSA-N 454.000 4.894 50 10 JJGE CC(C)C[C@@H](CBr)CNC(=O)c1ccc(Br)cc1Br 2120743792 ZISBDBLPUVAFKF-JTQLQIEISA-N 456.016 4.999 50 10 JJGE BrCc1cc(Br)c(OCc2cnn3c2CCC3)c(Br)c1 2167783871 WCKXGVACTLJEAF-UHFFFAOYSA-N 464.983 4.828 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(I)ccc2Br)CC[C@H]1CCCl 2172472123 GGNIYTVDUMJXOF-GHMZBOCLSA-N 470.576 4.781 50 10 JJGE CN(C(=O)c1cccc(F)c1I)[C@@H]1CCCCC[C@@H]1Br 2172538474 DSITYMATRIAOEN-WCQYABFASA-N 454.121 4.599 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1cc(Cl)ccc1I 2204560869 CQHGJHZOBGMIFI-JDVFRBCBSA-N 468.560 4.627 50 10 JJGE Cc1ccc(C(=O)N(CCBr)Cc2ccccc2)cc1I 2209424385 JOHYPRBTCBIGKX-UHFFFAOYSA-N 458.137 4.637 50 10 JJGE Fc1ccc([C@H](CI)OCCOCCOCCOCc2ccccc2)cc1 2236090200 WROPIZVDSJIHJT-NRFANRHFSA-N 488.337 4.568 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OC2(C)C3CC4CC(C3)CC2C4)C1 2259088835 PUXAXOXNRVOHIW-ZSSBTJPMSA-N 461.384 4.641 50 10 JJGE O=C(NCCCCCCI)c1cc(F)c(Br)cc1Cl 2267806481 XNYKPIWAZNWNDD-UHFFFAOYSA-N 462.528 4.967 50 10 JJGE C[C@H]1CC[C@@H](CBr)CN1C(=O)c1ccc(Cl)c(I)c1 2268343314 WUAGHPKBEBSAQQ-UWVGGRQHSA-N 456.549 4.580 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)NC1(CCCBr)CC1 2277919128 VTMXGQIOSMPAPY-UHFFFAOYSA-N 454.000 4.578 50 10 JJGE CC1(C)CC(CBr)(CNC(=O)c2ccc(Cl)c(I)c2)C1 2283661142 FSKNMRKTBPHTOA-UHFFFAOYSA-N 470.576 4.876 50 10 JJGE C[C@H]1C[C@H](CBr)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2295312261 VUCHTCPEBKEWDK-WDEREUQCSA-N 468.027 4.776 50 10 JJGE C[C@H](NC(=O)[C@@H](C)OC(=O)C(C#N)=Cc1ccc(N(C)C)cc1)c1ccc(Cl)cc1Cl 2297487109 GXFWIUAHRJHXCB-LSDHHAIUSA-N 460.361 4.775 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccccc1F 2313738846 SKONEVOTIGQKNN-UHFFFAOYSA-N 474.488 4.755 50 10 JJGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)NC)cc1 2314593680 QZPVMIZUYWPROE-LJQANCHMSA-N 460.386 4.728 50 10 JJGE C[C@@H](NC(=O)C(C#N)=CNCCc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 2325119022 QSWJQTVNWONSQS-QGZVFWFLSA-N 452.396 4.745 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(C)cc2)sc(C(=O)OCC(C)C)c1C 2329632784 VMUGCLRMQVUQBP-UHFFFAOYSA-N 454.548 4.900 50 10 JJGE CCOC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1NC(=O)C(C#N)=Cc1ccc(C)cc1 2329632848 IUGCIMXNDFHQKK-UHFFFAOYSA-N 493.361 4.974 50 10 JJGE COC[C@H](C)OC[C@H](Cl)CCc1ccc(I)c(Br)c1 2349849075 ZPHBHYVNXIGBQV-CMPLNLGQSA-N 461.565 4.645 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CC[C@H]2C[C@@H](Cl)CC[C@H]21 2353895261 VDPQWJLVERDAEZ-NURSFMCSSA-N 468.560 4.676 50 10 JJGE CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 9873152 PMAXSAKDSSNDSX-MOPGFXCFSA-N 465.594 4.947 50 10 JJGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)cc1 33925569 RMLLOTCFBYREMT-STZFKDTASA-N 475.501 4.581 50 10 JJGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(C)c3)ccc21 38650495 PWQLEDZMJYPUSQ-AREMUKBSSA-N 456.498 4.596 50 10 JJGE Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3)nc3c(C)cccn3c2=O)c1 39992809 DPYOOWLVXRITMW-HMMYKYKNSA-N 450.498 4.958 50 10 JJGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OC 58895210 FUHYMOFAJSRMRP-QEMKNDADSA-N 475.383 4.549 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CCCCC[C@@H]1CBr 236065065 VJOBFZXDVBEEHD-LLVKDONJSA-N 456.549 4.724 50 10 JJGE C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1cccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)c1 242273673 YEXSDQJWSVTYMB-RGOSMPGBSA-N 458.606 4.890 50 10 JJGE Cc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)o1 253966966 ZIHLWYLAJLXAPR-UHFFFAOYSA-N 451.939 4.732 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C)cc3)cc2OCC)cc1 254480771 JBUDAUHCGRTIGK-UHFFFAOYSA-N 476.529 4.541 50 10 JJGE Fc1cc2c(cc1I)nc(CCl)n2[C@H]1CCN(Cc2ccccc2)C1 310665859 GVOMPLZRPWXTIR-AWEZNQCLSA-N 469.729 4.966 50 10 JJGE C[C@H]1CC[C@@H](CBr)CN1C(=O)c1ccc(Br)cc1Br 688706291 RFLDCICKMPWBFK-UWVGGRQHSA-N 454.000 4.847 50 10 JJGE CC(C)Cc1ccc([C@@H](C)C(=O)NN=C2C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 1083943316 OYXAFKGYYWHRGX-LJQANCHMSA-N 484.556 4.964 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C1 1614618230 XOQOFNMUESPDIO-NEPJUHHUSA-N 466.703 4.634 50 10 JJGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772745316 WMVIRWHMCJNJHD-UHFFFAOYSA-N 482.334 4.779 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865708397 WBQQHOVUSDNJIM-VWLOTQADSA-N 494.551 4.842 50 10 JJGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cccc(F)c1 1865709965 LGVZZFZGQMQIBK-QHCPKHFHSA-N 452.489 4.964 50 10 JJGE N#C/C(=C\c1ccc(Cl)cc1)C(=O)NC[C@H](c1ccccc1)S(=O)(=O)c1ccccc1 1866128004 RISBTAYIQGRIDE-QFXGEWDLSA-N 450.947 4.578 50 10 JJGE C[C@@H]1CC[C@@](CCl)(NC(=O)c2ccc(I)c(Br)c2)C1 1880930661 DHGIXUCLZVKACQ-YMTOWFKASA-N 456.549 4.581 50 10 JJGE Cn1cc([C@@H](Br)c2sc(Cl)cc2I)nc1Br 1900924841 QTXOTTWVZOPRBC-SSDOTTSWSA-N 496.393 4.986 50 10 JJGE O=C(NCC[C@@H]1CCC[C@@H]1Br)c1csc(Br)c1Br 1913752826 CAUYACYNBSXXJK-CBAPKCEASA-N 460.029 4.957 50 10 JJGE CC(C)(C)OC(=O)Nc1cc(C(=O)NC[C@H]2C[C@H](Br)C2)ccc1Br 2020168531 GTZXTAJIDCOFAS-UMSPYCQHSA-N 462.182 4.699 50 10 JJGE O=[N+]([O-])c1c(CBr)nn(Cc2cc(C(F)(F)F)ccc2F)c1C(F)(F)F 2079258233 HCLKQJUAMIXJNG-UHFFFAOYSA-N 450.108 4.911 50 10 JJGE C[C@H](Cl)CCCc1cn(-c2cc(Br)ccc2I)nn1 2132753868 DSHVRPVPHRAKAX-VIFPVBQESA-N 454.537 4.584 50 10 JJGE ClCCc1nc2cncc(Br)c2n1[C@H]1CCOC[C@H]1OCc1ccccc1 2151794111 VTRTZXBMDNLCBA-ZWKOTPCHSA-N 450.764 4.522 50 10 JJGE Cc1c([C@H](Br)c2cc(Br)cc3c2OCC3)nn(C)c1Br 2168216170 RGCSFXNGLDTBLP-LLVKDONJSA-N 464.983 4.673 50 10 JJGE COc1cc(Br)ccc1C(=O)N[C@H](C)CCCCCI 2174526639 LLHHPBPBUHVUKD-LLVKDONJSA-N 454.146 4.571 50 10 JJGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1cc(CBr)cc(F)c1C 2179857672 CPTGIDWSGGNCES-UHFFFAOYSA-N 458.393 4.647 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@H](C(F)(F)CBr)C1 2197761585 CYGUUEZSEIJVFT-QMMMGPOBSA-N 475.953 4.704 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCC12CC3CC(CC(C3)C1)C2 2223890049 DJSQWBDXIHDGNA-BTCBHJBXSA-N 463.400 4.938 50 10 JJGE COc1cc(OC)c([C@H](Br)c2sccc2I)cc1OC 2289404701 MMQXIIYLWWBPSH-ZDUSSCGKSA-N 469.138 4.863 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1C2CCC1(CBr)CC2 2295307784 OXHXPHVUTDOZBF-UHFFFAOYSA-N 466.011 4.673 50 10 JJGE N#CC(=Cc1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)C(=O)NC[C@H]1CCCO1 2295672403 VCXVDNPYPXWVPK-OAQYLSRUSA-N 453.464 4.911 50 10 JJGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)C(=O)Nc1ccc2ccccc2c1 2314489436 PTGYOAYIWXXBLO-UHFFFAOYSA-N 499.508 4.768 50 10 JJGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314592972 FFILJMSOYFUNDK-JOCHJYFZSA-N 493.972 4.684 50 10 JJGE CCOc1cc(C=C2C(=O)N(CC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314610368 GQNLVIUTIWUARH-UHFFFAOYSA-N 450.922 4.930 50 10 JJGE N#CC(=C(O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331236533 CFLOUHMSCJBTSD-UHFFFAOYSA-N 468.878 4.590 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@@H]2CCOc3ccccc32)C1 2340296332 HUXKEBBWYLRRFB-XLIONFOSSA-N 473.351 4.732 50 10 JJGE ClC[C@H]1CC12CCN(Cc1ccc(I)c(Br)c1)CC2 2349836907 SMFCHPYEDZKAMX-GFCCVEGCSA-N 454.577 4.895 50 10 JJGE O=C(NCC(F)(F)C(F)(F)CBr)c1cc(Br)cc(Br)c1 2361681853 MYEICMFJAXWEOL-UHFFFAOYSA-N 485.895 4.607 50 10 JJGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)c1ccc(OC)c(Br)c1 10683405 UYMCUZAPBWLHAG-KSSFIOAISA-N 463.372 4.590 50 10 JJGE CCc1ccccc1-n1c(SCC(=O)/C(C#N)=C2/Nc3ccccc3N2C)nc2ccccc2c1=O 18811856 QLFLXSGDZLSQQV-QOMWVZHYSA-N 493.592 4.906 50 10 JJGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2)cc1 205641695 MRJWGPMESVSZMZ-ZRUILDMBSA-N 454.482 4.541 50 10 JJGE CC[C@H](Br)c1cn(-c2cc(OC)c(Br)cc2Br)nn1 233986750 XDTJECUVNOIANP-ZETCQYMHSA-N 453.960 4.647 50 10 JJGE COc1ccc(-n2c(SCC(=O)NN=C/C=C\c3ccccc3OC)nnc2-c2ccccc2)cc1 254570308 GJSAXQVDNJKYTE-FQJFPRNKSA-N 499.596 4.859 50 10 JJGE CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1C=NNC(=O)CSCC(=O)c1ccccc1 254742707 QEXQWINTTHJKEX-UHFFFAOYSA-N 484.622 4.779 50 10 JJGE Cc1cccc(C)c1OCC(=O)NN=Cc1cccc(OC(=O)c2ccccc2Br)c1 254835485 LKLBLZHXPRDDNP-UHFFFAOYSA-N 481.346 4.814 50 10 JJGE CC(=NNC(=O)c1cn(C)c2ccccc12)c1cccc(NC(=O)c2ccc(Br)o2)c1 254899603 ZIEMXAGGOFRSKH-UHFFFAOYSA-N 479.334 4.940 50 10 JJGE CC(C)N(C[C@H](C)Br)C(=O)c1cc(I)ccc1Br 691342660 GIFRWTIIVNXKOG-VIFPVBQESA-N 488.989 4.688 50 10 JJGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OC 725422613 FUHYMOFAJSRMRP-OAQYLSRUSA-N 475.383 4.549 50 10 JJGE CCOC(=O)Nc1ccc(OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1 730783352 BSKQRMBTNFRDIO-CYVLTUHYSA-N 455.474 4.545 50 10 JJGE CN(C)c1ccc(C(=O)NN=Cc2ccc(OCc3ccc(Br)cc3)cc2)cc1 1081086829 SSLFPCYVFWHVKA-UHFFFAOYSA-N 452.352 4.858 50 10 JJGE CCOc1ccc(NC(=O)NN=Cc2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)cc1 1084374139 ZXWZEOSDZRCZOP-UHFFFAOYSA-N 463.490 4.527 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1O 1865681958 BTTCLSBKDUDVRR-DEOSSOPVSA-N 464.525 4.839 50 10 JJGE N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1cc2c(cc1Br)OCCO2 1866131026 VOYFEQJXDLCPQY-WUXMJOGZSA-N 464.113 4.528 50 10 JJGE O[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]1Br 1877337718 ZQFLFMBYZKKTLF-KMYHCQSRSA-N 469.818 4.852 50 10 JJGE O=C(NCC[C@H]1CCC[C@H]1Br)c1cc(Br)cc(Br)c1 1913719939 AIGRPLGHZJHDRD-NOZJJQNGSA-N 454.000 4.895 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CC[C@]2(CCC[C@H]2Cl)C1 1918919677 CQMGFEAMXTYRRT-UKRRQHHQSA-N 468.560 4.677 50 10 JJGE CSCC[C@@H](Br)CCNC(=O)c1scc(Br)c1Br 2029920664 WEYVGFIWLIRCJJ-ZETCQYMHSA-N 480.085 4.910 50 10 JJGE CCN(CCCCBr)C(=O)c1cc(I)ccc1Br 2041184018 RWPCSLBMNNRULG-UHFFFAOYSA-N 488.989 4.691 50 10 JJGE COCCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Br 2059314310 JKPLNCNJBLSMDX-UHFFFAOYSA-N 491.245 4.571 50 10 JJGE O=S(=O)(c1ccc(Br)c(CCl)c1)N1CCC[C@@H](OCc2ccccc2)C1 2129827447 CSUZJZOFUYOOAA-QGZVFWFLSA-N 458.805 4.558 50 10 JJGE CC(C)(C)[C@H]1C[C@@H](CBr)CN(C(=O)c2csc(I)c2)C1 2165001084 KBKMLXHMZOCYKZ-JQWIXIFHSA-N 470.214 4.872 50 10 JJGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)Cc1cccc(Br)c1 2213761620 ZGEANMHINZXBPG-UHFFFAOYSA-N 475.246 4.955 50 10 JJGE Cc1ccc(C(=O)N2C[C@](C)(CBr)CC2(C)C)cc1I 2232823475 MNAQCRDCKYODPG-INIZCTEOSA-N 450.158 4.625 50 10 JJGE CC1(C)CC[C@@H](Br)CN1C(=O)Cc1cc(Br)cc(Br)c1 2295310174 SZCLORYDKGJFRF-LLVKDONJSA-N 468.027 4.919 50 10 JJGE C[C@]1(CBr)C=CCCN1C(=O)Cc1cc(Br)cc(Br)c1 2295314657 AVNWCBRQBWKJGZ-OAHLLOKOSA-N 466.011 4.696 50 10 JJGE CC[C@H]1[C@@H](Br)CCN1Cc1ccc(I)c(Br)c1 2306219602 OBWIREZTKJCBPB-GWCFXTLKSA-N 472.990 4.802 50 10 JJGE COc1ccccc1NC(=O)C(C#N)=Cc1ccc(Sc2nc(C)cc(C)n2)c([N+](=O)[O-])c1 2313670526 CKVJQKIGUBTFTF-UHFFFAOYSA-N 461.503 4.707 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1 2314617755 ADGBMLJWAJPQSK-UHFFFAOYSA-N 490.519 4.933 50 10 JJGE CC(C)CN(C=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)CC(C)C 2324608402 SACGAANTKTVURM-UHFFFAOYSA-N 458.650 4.942 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNc1nc2ccccc2nc1Br 2353165529 MALKNVJRWUHPGV-UHFFFAOYSA-N 459.435 4.710 50 10 JJGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1ccc(Cl)cc1I 2365587998 DEBVVVVXOGXZDO-ZJIMWXPPSA-N 468.560 4.721 50 10 JJGE COc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(F)cc3)N(c3ccccc3)C2=O)cc1 2357487 CTCHJZVHMVQGIX-QPQMVVSWSA-N 473.529 4.899 50 10 JJGE Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)c1 14669639 UMZGKMCIDPYTJD-UHFFFAOYSA-N 497.389 4.527 50 10 JJGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1 39858610 RNJXVPMUGMAUPH-LGMDPLHJSA-N 456.889 4.994 50 10 JJGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/Nc1ccccc1)CCC2 40824234 SQDAJCCADSSRQM-NLRVBDNBSA-N 481.350 4.578 50 10 JJGE CC(/C=C/c1ccccc1)=N/NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 58991475 NTJCPCUCKNVNHC-VYFVQGSGSA-N 454.559 4.627 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)cc(C)c1 206733010 JTEDRXARAYQMGS-BKUYFWCQSA-N 474.513 4.503 50 10 JJGE COc1c(Br)c(Br)c(CBr)c(Br)c1OC 231545031 UAFPDKNFWZJOQH-UHFFFAOYSA-N 467.777 4.886 50 10 JJGE Cc1ccc(C(=O)O)cc1-n1c(C)cc(C=NNC(=O)Cc2cccc(C(F)(F)F)c2)c1C 254702834 CSNKUKHAVBEHDS-UHFFFAOYSA-N 457.452 4.812 50 10 JJGE Fc1cc2c(cc1I)nc(CCl)n2Cc1ccc(Br)o1 380951153 AHEDLDZBAXSGER-UHFFFAOYSA-N 469.479 4.923 50 10 JJGE CC(C)(C)CN(CCBr)C(=O)c1cc(Cl)ccc1I 690954859 NBIQIBXJKTZQPK-UHFFFAOYSA-N 458.565 4.828 50 10 JJGE Fc1cc2c(cc1I)nc(CCl)n2Cc1ncc(Br)s1 714926135 KTMNKGWJIYOLCN-UHFFFAOYSA-N 486.535 4.786 50 10 JJGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1c[nH]c2ccccc12 1084093001 DCZHRGAHKLPNEI-UHFFFAOYSA-N 480.597 4.776 50 10 JJGE Cc1c(C(=O)N2CCCCCC2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772749317 ZSYXEPUMYQPELY-UHFFFAOYSA-N 472.929 4.636 50 10 JJGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865695440 CPKACNMHQOOPDK-GOSISDBHSA-N 471.742 4.774 50 10 JJGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714835 RERNCWNHFDQTEY-QHCPKHFHSA-N 468.513 4.529 50 10 JJGE Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)c1 1865759752 QFKBLKYHOJPDHV-UHFFFAOYSA-N 458.345 4.821 50 10 JJGE Cc1ncnc(N(Cc2ccccc2)C(C)(C)CBr)c1I 1888813055 PROXYESEOSXJRB-UHFFFAOYSA-N 460.157 4.570 50 10 JJGE BrCc1cc(Br)c(OC[C@@H]2C[C@@]23CCOC3)c(Br)c1 1894788578 JHKYJYLAHKZFMZ-IINYFYTJSA-N 454.984 4.912 50 10 JJGE C[C@@H]1[C@H](NCCSSCCNC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)[C@@H]1C 1903284929 UXMHZSXFNKJXOV-GVDBMIGSSA-N 463.710 4.516 50 10 JJGE Clc1ccc(I)cc1CO[C@@H]1CCC[C@H]1I 1904938460 YZVDTDBHSLYNPD-VXGBXAGGSA-N 462.496 4.817 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)CCc1ccc(F)c(Br)c1 1905342475 JIXIDPJRLMSQBE-LBPRGKRZSA-N 455.121 4.581 50 10 JJGE CC[C@H](C)[C@@H](Br)CNC(=O)c1cc(Br)ccc1I 2029977535 MVOXQVHKGKDTKU-KWQFWETISA-N 488.989 4.593 50 10 JJGE Brc1cc([C@@H](Br)[C@@H]2CCn3ncnc3C2)c(Br)s1 2046630140 KZIWAUIEQUZKSO-LDWIPMOCSA-N 456.001 4.563 50 10 JJGE CCc1nn(C)c(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)c1Br 2072300292 JGAAALFPALMMNP-INIZCTEOSA-N 471.237 4.807 50 10 JJGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2CCC[C@H](C1)C2Cl 2167780734 ZZYYJCJYKHDZII-XFLKPENQSA-N 468.560 4.533 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(F)(F)F)CCN1C[C@H](CBr)CC1CC1 2169172272 NJLOQGUOOZKFQO-JYJNAYRXSA-N 457.375 4.965 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CCC[C@@H](CCCBr)C1 2234183213 XSTIJNRRDXRUHJ-LLVKDONJSA-N 470.576 4.972 50 10 JJGE CN(C[C@@H]1CCC[C@@H]1Br)C(=O)Cc1cc(Br)cc(Br)c1 2295317727 QQAHIDGNYGPKPI-FZMZJTMJSA-N 468.027 4.776 50 10 JJGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc1 2314532433 JASWWANWWOAKAE-UHFFFAOYSA-N 480.524 4.966 50 10 JJGE COc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2cccc(C)c2)nc2c(C)cccn2c1=O 2314533988 VUDVPBAZLJJBTG-UHFFFAOYSA-N 466.497 4.658 50 10 JJGE COc1cccc(Br)c1C(=O)N[C@H](CCBr)COCc1ccccc1 2320358124 JTSYDLDAJGBVCY-OAHLLOKOSA-N 471.189 4.558 50 10 JJGE COc1cc(C(=O)N[C@H](CCBr)COCc2ccccc2)ccc1Br 2320359804 GWEXXSKHXPSTEP-MRXNPFEDSA-N 471.189 4.558 50 10 JJGE CC(C)[C@@H]1C[C@@H](Cl)CN1C(=O)c1cc(Br)ccc1I 2344598589 AIHFYIOXJIEJRG-MFKMUULPSA-N 456.549 4.532 50 10 JJGE CC(C)CCOc1cccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c1 14644611 VTXPCNDOKHMFGI-UHFFFAOYSA-N 466.365 4.598 50 10 JJGE N#C/C(C(=O)N1CCOCC1)=C1/SC=C(c2ccc(-c3cc(O)ccc3O)o2)N1c1ccccc1 33339808 PRSZTBVROKZAGN-QOMWVZHYSA-N 487.537 4.504 50 10 JJGE COc1cc(OC)cc(OCc2cc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)ccc2OC)c1 33790551 ZQZXFRHHTZUPHS-VWLOTQADSA-N 490.556 4.742 50 10 JJGE O=C(CN1CCCCC1)N/N=C/c1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 39899605 ZYXSNHJACMOGIE-DHRITJCHSA-N 486.801 4.649 50 10 JJGE CCOc1ccc2cc(C(=O)O/N=C3\C[C@H]4CC[C@@]3(C)[C@@]4(C)CBr)c(=O)oc2c1 100948654 FELNQJCIUVFERC-UUCKWECDSA-N 462.340 4.926 50 10 JJGE O=C(NC[C@H]1CCC[C@@H](Br)C1)c1ccc(Br)cc1Br 227754660 HQZAFJHORIOMEQ-VHSXEESVSA-N 454.000 4.895 50 10 JJGE CSc1ccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc1 254623691 DKACNLSRRLRGNQ-UHFFFAOYSA-N 474.611 4.658 50 10 JJGE O=C(Nc1ccc(Br)c(I)c1)[C@H](Cl)c1ccccc1 306015648 SLKHZRYBENIWFK-CYBMUJFWSA-N 450.501 4.972 50 10 JJGE CCc1cc(COc2c(Br)cc(Br)cc2CBr)n(C)n1 312419391 GYPJKZNQCHLWNS-UHFFFAOYSA-N 466.999 4.981 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2c(F)cccc2Br)C1 382693279 QWDMFZPQLNCLRW-WDEREUQCSA-N 484.147 4.974 50 10 JJGE O=C(NC[C@@H](Cl)c1ccccc1)c1ccc(I)c(Br)c1 721570709 AUHLDXHYHLOSRV-CYBMUJFWSA-N 464.528 4.764 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@@H](CCCl)C1 721625795 ZWXQQFIKHUIZCJ-JTQLQIEISA-N 456.549 4.535 50 10 JJGE COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NNc2ccc(F)c(F)c2F)c1 727758491 GWWUIDAKRLZVFF-UHFFFAOYSA-N 452.436 4.781 50 10 JJGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccccc1F 1084103795 RXTKKQFFUOMPOQ-QHCPKHFHSA-N 450.510 4.767 50 10 JJGE COc1cc2ccccc2cc1C(=O)NN=Cc1ccccc1OS(=O)(=O)c1ccc(C)cc1 1084271756 VCTGTXMNAIIWLJ-UHFFFAOYSA-N 474.538 4.688 50 10 JJGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(Cl)c(Cl)c1)c1ccc(Oc2ccccc2)cc1 1084551090 MELGFECFYZLYOI-UHFFFAOYSA-N 492.384 4.702 50 10 JJGE Cc1nc(COc2cccc(/C=C\C(=O)NNC(=O)Cc3cccc4ccccc34)c2)cs1 1087676184 FJNZPDDXAPQWES-SEYXRHQNSA-N 457.555 4.587 50 10 JJGE CC(=O)c1cccc(OCCCC(=O)NNc2cc(C(F)(F)F)ccc2Br)c1 1469067065 MICMANXEQBVVBJ-UHFFFAOYSA-N 459.262 4.973 50 10 JJGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(O)cc1)CCC2 1772745100 QYYRGTBTJSCRSP-UHFFFAOYSA-N 451.910 4.978 50 10 JJGE Cc1c(C(=O)Nc2ccccc2F)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746061 ARLZTVMBRNHOGI-UHFFFAOYSA-N 485.313 4.607 50 10 JJGE O=C(NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21)c1ccccc1 1772752424 KJRJIYJYSYSAPN-UHFFFAOYSA-N 468.738 4.783 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)cc1OC 1865696093 XJAZQCNLQJKMNB-JOCHJYFZSA-N 464.953 4.773 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1865706343 UGUZBPFRVYSVOA-OAHLLOKOSA-N 461.787 4.671 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865708396 WBQQHOVUSDNJIM-RUZDIDTESA-N 494.551 4.842 50 10 JJGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](C)N(CCCOC)[C@H](C)C2)n1 1868388923 OYILTTLINZBPCW-KDURUIRLSA-N 454.644 4.681 50 10 JJGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1873793842 ZOULZKIQZJHDEC-SYOQMXFQSA-N 471.623 4.671 50 10 JJGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@H]1C[C@H](Br)C1 1888845510 KVQFNJOMPZWUMW-QQMNAOGKSA-N 485.422 4.936 50 10 JJGE O=C(NCC[C@H]1CCC[C@H]1Br)c1cc(Br)c(Br)s1 1913722716 ZPYRKIBKJCOVHO-HTQZYQBOSA-N 460.029 4.957 50 10 JJGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CCl)c1F 1915484433 HWQZXEDERDLMEY-UHFFFAOYSA-N 478.811 4.943 50 10 JJGE CCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)cc(Br)c1C 1984638952 WRXJCKMDXDSCKT-UHFFFAOYSA-N 461.219 4.863 50 10 JJGE C[C@H]1[C@@H](NCCSSCCNC(=O)OC(C)(C)C)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2010828106 AWQZVKSDLUROQV-XWTMOSNGSA-N 475.721 4.659 50 10 JJGE C[C@H](NC(=O)c1cc(Br)sc1Br)[C@H]1CCC[C@H]1Br 2048891014 KMHYRDANFIGTIH-LKEWCRSYSA-N 460.029 4.955 50 10 JJGE C[C@H](Br)C[C@H](C)CNC(=O)c1ccc(Br)cc1I 2086151731 RUXVETLEUSDRKQ-IUCAKERBSA-N 488.989 4.593 50 10 JJGE CC(C)(C)OC(=O)N1CCC12CCS(=O)(=NCC1(CBr)CCCCC1)CC2 2163059749 WDSUXENDPKDPPB-UHFFFAOYSA-N 463.482 4.973 50 10 JJGE Fc1ccc(F)c([C@H](Br)c2cc(I)cc3c2OCC3)c1 2203358463 ZPFWDRJYGYAVCC-AWEZNQCLSA-N 451.048 4.989 50 10 JJGE O=C(NCC1CCC(CCl)CC1)c1ccc(Br)cc1I 2207266275 CCVRCEBYOXCRBI-UHFFFAOYSA-N 470.576 4.829 50 10 JJGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(O)c(Br)c2)cc1 2293618302 BWDFSAFFRFCXMV-UHFFFAOYSA-N 466.129 4.862 50 10 JJGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3)nc3c(C)cccn3c2=O)cc1 2296718476 KHPVRLFGSLNMDT-UHFFFAOYSA-N 466.497 4.740 50 10 JJGE COc1c(Br)cc(Br)cc1C=C(C#N)c1nn(-c2ccccc2)c(N)c1C#N 2297322376 HHFDHAZWQQCASV-UHFFFAOYSA-N 499.166 4.924 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC[C@@H]1C[C@H]2CCC[C@H]1CC2 2301131585 NTJHZLZYUJUNAQ-FPXQBCRKSA-N 451.389 4.938 50 10 JJGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(OC)c2)cc1 2314533328 QBWXVEOEBXERLV-UHFFFAOYSA-N 480.524 4.912 50 10 JJGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593730 SAZFADTWMZVFAQ-DEOSSOPVSA-N 487.581 4.729 50 10 JJGE FC(F)(F)C[C@H](CBr)NCc1cc(I)ccc1Cl 2327390924 IUVFUNFIBMOUSM-SECBINFHSA-N 456.471 4.750 50 10 JJGE CC(C)[C@@H]1C[C@H](Br)CN1C(=O)c1cc(Cl)ccc1I 2344616304 XAZLKDSANBMNPJ-ZANVPECISA-N 456.549 4.579 50 10 JJGE Cc1nn(C)c(OCc2ccc(I)c(Br)c2)c1CBr 2350059253 WNGIBLWGVGSAHC-UHFFFAOYSA-N 499.972 4.570 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1C[C@H]2CC(Br)C[C@@H](C2)C1 2365590324 FNXFKQAWFDQVPQ-NXEZZACHSA-N 468.560 4.580 50 10 JJGE C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2I)[C@@H]1CCBr 2365592705 PHOCIGCHPYDLKH-QMTHXVAHSA-N 470.576 4.970 50 10 JJGE O=C(N[C@H]1C[C@H](CBr)C12CCC2)c1ccc(I)c(Cl)c1 2379697937 WMTKCHARRALWDP-MFKMUULPSA-N 468.560 4.628 50 10 JJGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(Br)c(C)c1 14768736 FOULUNJSRMSBGP-QHCPKHFHSA-N 497.389 4.808 50 10 JJGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 14768880 OQBXSMKOOIPEBQ-XMMPIXPASA-N 459.546 4.567 50 10 JJGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1 38649169 HCITVDASKHZBOR-DEOSSOPVSA-N 491.341 4.960 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@H]1c1cccc(Br)c1 38651483 NYHDYHDHNYAXCF-LJQANCHMSA-N 453.317 4.948 50 10 JJGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)c1 38684369 PZRUIBKYLXRGCL-VWLOTQADSA-N 456.498 4.921 50 10 JJGE COc1cc(/C=C(/C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc(Br)c1O 95949640 QNHZPURUDHRCAN-OGGBREFQSA-N 472.364 4.650 50 10 JJGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242004 PEIWYCRQAFRQJU-YMGIJWJESA-N 457.555 4.585 50 10 JJGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C1=O 101334181 HFEFLLOYWUHBOW-UEIZDATPSA-N 494.551 4.701 50 10 JJGE C[C@H](NC(=O)/C(C#N)=C1/N=C(NC(=O)c2ccc(Cl)cc2)c2ccccc21)c1ccccc1 102673741 GORSOGQLXBOOOA-LSJZCYCUSA-N 454.917 4.642 50 10 JJGE O=S(=O)(NCc1cccc(CBr)c1)c1cc(Br)ccc1Br 137023139 RFVDPVBCVSMXPD-UHFFFAOYSA-N 498.034 4.585 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc2ccccc2o1 206729255 SLYWFMHUKIMFRK-UNOMPAQXSA-N 456.454 4.867 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCC)c(OCC)c2)c(OC)c1 207128209 OECNEGYKDIEPBW-KRTAVAKFSA-N 492.572 4.935 50 10 JJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)c(C)c1 214204656 QTTPGXLTPWOKSM-IWIPYMOSSA-N 464.525 4.635 50 10 JJGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(F)c2)C1=O 214217072 DACHNPQKLDMTFB-BKUYFWCQSA-N 470.504 4.689 50 10 JJGE C[C@@H](Br)[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)ccc1Br 688892715 XEZNJAMGAYWMDR-SKDRFNHKSA-N 490.055 4.538 50 10 JJGE Cn1cc([C@@H](Br)c2cc(Br)c3c(c2)CCCO3)nc1Br 698480714 BDSBIGGIGZCSGR-LBPRGKRZSA-N 464.983 4.754 50 10 JJGE O=C(N[C@@H](CCl)C1CCCCC1)c1ccc(I)c(Br)c1 721575657 ALHCIQXXBWWBDS-AWEZNQCLSA-N 470.576 4.971 50 10 JJGE CCN(CC)c1ccc(CN(C)C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1 917953695 CPLMNJPNKIXSFX-HKOYGPOVSA-N 466.589 4.876 50 10 JJGE NNC(=O)/C=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 1084016811 SGNFVMWTMIWWGL-RJRFIUFISA-N 450.547 4.991 50 10 JJGE C=CCOc1ccc(Br)cc1C=NNC(=O)[C@H](C)Oc1ccc(Br)cc1 1084293025 VUJDXFYBWSWHBH-ZDUSSCGKSA-N 482.172 4.694 50 10 JJGE CCOC(=O)COc1c(Cl)cc(C=NNC(=O)c2cc3ccccc3o2)cc1Br 1084563970 JTEUIABXKKNINK-UHFFFAOYSA-N 479.714 4.555 50 10 JJGE Cc1c(C(=O)NCCc2ccccc2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743476 CGGCDIPSIBKTTM-UHFFFAOYSA-N 494.389 4.793 50 10 JJGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1O)CCC2 1772751637 IILARRFPOJKDKD-UHFFFAOYSA-N 451.910 4.978 50 10 JJGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)n2)cc1 1860551845 MVEFXPBRFDWKMM-UHFFFAOYSA-N 453.321 4.922 50 10 JJGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(Cl)cc1 1865694026 TXSFFVXILIQIIH-NRFANRHFSA-N 450.926 4.850 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1cccc([N+](=O)[O-])c1 1865705843 HATBZVODCLNBCL-QFIPXVFZSA-N 467.460 4.864 50 10 JJGE COc1cccc(-c2ccc(C(=O)NNC(=O)C(c3ccccc3)c3ccccc3)c(C)n2)c1 1865758862 VRFFAVMKNYVZKQ-UHFFFAOYSA-N 451.526 4.659 50 10 JJGE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3cccc(Cl)c3)sc2c1 1866131037 VTPDLPKWIKCDID-SFQUDFHCSA-N 499.017 4.858 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](NC(=O)C[C@@H]2CC(=O)c3ccccc32)c2ccccc2)cc1 1867244839 ZWSQCYLMDAFYQD-AVRWGWEMSA-N 455.539 4.816 50 10 JJGE CCN(Cc1ccc(I)c(Br)c1)C[C@H](C)Br 1904343234 GJMHHSZICOXSBZ-VIFPVBQESA-N 460.979 4.659 50 10 JJGE C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 2023588273 ABFHKFBOVHMPRQ-KURKYZTESA-N 477.737 4.954 50 10 JJGE O=C(CBr)c1cc(I)c(Br)c(OC(F)(F)F)c1 2054820361 IMGVCLWXLBXJRH-UHFFFAOYSA-N 487.835 4.530 50 10 JJGE Fc1cc(F)c(F)c([C@H](Br)c2cc(I)sn2)c1F 2056496008 KLRFRJZPUYEMGI-MRVPVSSYSA-N 452.008 4.788 50 10 JJGE O=C(CBr)c1ccc(OC(F)(F)F)c(I)c1C(F)F 2060384074 MAHHZDJYQFVCAI-UHFFFAOYSA-N 458.946 4.705 50 10 JJGE C[C@H](CBr)[C@H]1CCCCN1c1ncc(I)cc1Br 2069529678 RUMKYBMRQMBOIZ-BXKDBHETSA-N 488.005 4.839 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@H](Br)[C@@H]1C1CC1 2130611542 LZVYLJGOWMHYRM-AAEUAGOBSA-N 451.984 4.600 50 10 JJGE C[C@]1(CCBr)CCN(C(=O)c2cc(Cl)ccc2I)C1 2131898685 IFJISUDFLPGPDF-AWEZNQCLSA-N 456.549 4.582 50 10 JJGE O=C(c1csc(Br)c1Br)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Br)C2 2134105079 NLQDXRQVOFMBCQ-LHGNLISDSA-N 476.003 4.752 50 10 JJGE CC[C@@H](C)[C@@H](Br)CNS(=O)(=O)c1cc(Br)c(C)cc1Br 2146589313 RMTPPZZKYRRIOT-PELKAZGASA-N 492.071 4.608 50 10 JJGE O=C(N[C@H]1CCCC[C@@H]1CCBr)c1cccc(F)c1I 2146722747 DKQYEDQDBNZFBP-MFKMUULPSA-N 454.121 4.504 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC2(CCC(Br)CC2)C1 2181085602 HVYLWLDCHZFAJG-UHFFFAOYSA-N 466.011 4.991 50 10 JJGE Cc1ncn(C)c1CC(CBr)(CBr)c1ccccc1Br 2188543753 UJWWHLGHVGIWMZ-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 2209470344 SGOCIKXMYMJEJN-YYIAUSFCSA-N 461.441 4.948 50 10 JJGE COc1ccc(Br)cc1S(=O)(=O)N(Cc1ccccc1)[C@H](CCl)C(C)C 2227661802 HRWUNTDITBSYOI-QGZVFWFLSA-N 460.821 4.912 50 10 JJGE Cc1ccc(I)c(C(=O)N[C@]2(CBr)CCC[C@H](C)C2)c1 2240912261 HLMSYWAZGPBKHH-BLLLJJGKSA-N 450.158 4.673 50 10 JJGE Cc1ccc(I)c(C(=O)N2CCCC[C@@H]2C[C@@H](C)Br)c1 2240913808 NMNWZNIDUFPSBV-CHWSQXEVSA-N 450.158 4.768 50 10 JJGE CC(C)(C)OC(=O)N1CC[C@]2(CC[C@@](C)(CI)O2)C[C@@H]1C(F)(F)F 2252606061 LMFGSJCAOVPDPB-BYCMXARLSA-N 463.278 4.691 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H](Br)C2(CCCC2)C1 2283656717 OMGMDZIAUNRNLN-CYBMUJFWSA-N 468.560 4.724 50 10 JJGE C[C@H](Br)CN(CC(C)(C)C)C(=O)c1cc(I)ccc1F 2288049835 SNTOBKSJWLMLJL-JTQLQIEISA-N 456.137 4.702 50 10 JJGE ICC1(OCc2cccc(I)c2)CCCCC1 2302682583 KNLRAHSZXXHAQW-UHFFFAOYSA-N 456.105 4.946 50 10 JJGE CCOc1cc(C=NNC(=O)[C@@H](N)Cc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 2328798595 SNEZLXBDEACHKD-QFIPXVFZSA-N 486.399 4.991 50 10 JJGE CC1(C)CC(CBr)(CN=[S@]2(=O)CC[C@H](CNC(=O)OC(C)(C)C)C2(C)C)C1 2371145422 DVJVETRJKLWPJU-RXAIFQJESA-N 465.498 4.979 50 10 JJGE O=C(N/N=C/C=C/c1ccccc1)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/C=C/c1ccccc1 3088438 IFSARANVDOTMOA-OXLDWWMRSA-N 493.523 4.609 50 10 JJGE C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/C=C2\N(C)c3ccccc3C2(C)C)cc1 33437664 TVDOBZZYSYKFFL-QXNIOUPZSA-N 488.632 4.882 50 10 JJGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(C)cc2)CCC3)c(OC)c1 40804639 BWLGKCWICBHAKH-VFCFBJKWSA-N 461.518 4.636 50 10 JJGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1cccc([N+](=O)[O-])c1 58891819 QARHYBSTVZFJOW-UEYTXEIUSA-N 473.529 4.866 50 10 JJGE COc1cc([C@H](C(=O)NC2CCCCC2)N(CCC2=CCCCC2)C(=O)CCl)ccc1O 97914636 NRGRZACYXPDBIE-XMMPIXPASA-N 463.018 4.849 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CCCC[C@H]1CCBr 236065100 LJCPNXBEZBIQMB-NSHDSACASA-N 456.549 4.724 50 10 JJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3OC)cc2)cc1 254448970 BEWDGRGXTYFUIX-UHFFFAOYSA-N 476.529 4.622 50 10 JJGE O=C(NN=Cc1ccc(OCc2ccc(F)cc2)cc1)C(O)(c1ccccc1)c1ccccc1 254555928 SEGWNHLEBUNTCC-UHFFFAOYSA-N 454.501 4.791 50 10 JJGE CCc1ccc(NC(=O)C(=O)NN=C(C)CC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 254865570 GQBRJLRVGZSQEU-UHFFFAOYSA-N 486.528 4.616 50 10 JJGE CC[C@@H](C)N(CCBr)C(=O)c1cc(I)ccc1Br 310991800 ZWLWCEDQVPFMOD-SECBINFHSA-N 488.989 4.689 50 10 JJGE O=C(NC[C@H]1CCC[C@@H](CBr)C1)c1cc(Cl)ccc1I 380100496 MZZMRVPQVYVUDP-MNOVXSKESA-N 470.576 4.876 50 10 JJGE C[C@@]1(CBr)CCCCN1c1ncc(C(F)(F)F)cc1I 722978990 AMIIRCUJCHBMIQ-LBPRGKRZSA-N 463.079 4.849 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)OCc2ncc(-c3ccc(F)cc3)o2)c(-c2ccccc2)n1 746127001 ACEOATVGDYAPKU-DEDYPNTBSA-N 467.460 4.908 50 10 JJGE CCc1ccc(NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1 761380885 DNQDKGQARKPISR-QZMYASAMSA-N 467.529 4.504 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(Cl)cc1 1083941276 FSKJXMKTSHTSQX-UHFFFAOYSA-N 473.758 4.599 50 10 JJGE N#C/C(C(=O)NCc1ccccc1)=C1\C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 1084021429 HQMRRXPWAYSUAB-XTQSDGFTSA-N 472.342 4.589 50 10 JJGE O=C1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1Cc1ccccc1Cl 1084045035 UZZYVLIIDMQJJG-UHFFFAOYSA-N 481.755 4.540 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3C#N)c(OC)c2)cc1 1084345260 ZUGIYBXLRJGOIB-RUZDIDTESA-N 487.556 4.508 50 10 JJGE COc1cc(/C=N\NC(=O)Cc2cccs2)cc(Br)c1OC(=O)c1ccc(C)cc1 1084406916 NVKHVRIWPVNZEW-CFRMEGHHSA-N 487.375 4.740 50 10 JJGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 1865687509 SQLIKUKTYUBIEM-MHZLTWQESA-N 494.551 4.995 50 10 JJGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)c1 1865690196 LCENNGNQGXXJCG-HSZRJFAPSA-N 465.513 4.560 50 10 JJGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)cc1OC 1865696551 HGAGTUMMZCLYDN-LJQANCHMSA-N 495.377 4.958 50 10 JJGE C=CCOc1ccccc1OCC(=O)NNC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C 1865759168 LSAVWNHIDYACRJ-UHFFFAOYSA-N 486.355 4.769 50 10 JJGE C[C@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CCl)sc1Br 1885131137 QUFQYUKAMJWFPM-AWEZNQCLSA-N 477.877 4.535 50 10 JJGE CC1(C)[C@H](Br)CCCN1C(=O)c1ccc(I)c(Cl)c1 1887814646 MOVGTMFCTATHAE-GFCCVEGCSA-N 456.549 4.723 50 10 JJGE CC(C)(C)OC(=O)N1CCN(Cc2ccc(CBr)cc2)CCN1C(=O)OC(C)(C)C 1985932275 MGKNCQSMMIFINT-UHFFFAOYSA-N 484.435 4.786 50 10 JJGE Brc1cc(I)cnc1N1CC[C@@]2(CCC[C@@H]2Br)C1 2069533098 FHMPCUFHKPHWKS-AAEUAGOBSA-N 485.989 4.593 50 10 JJGE C[C@H](Br)[C@@H](NCc1cc(Cl)ccc1I)C(F)(F)F 2074728829 BJFJSPDYJVNNIN-QUBYGPBYSA-N 456.471 4.749 50 10 JJGE CCC[C@@H](CCBr)NC(=O)c1ccc(Br)cc1I 2086154684 WSAZIJQDQFKMQK-JTQLQIEISA-N 488.989 4.737 50 10 JJGE C[C@H](Br)C1CCN(C(=O)c2cccc(Br)c2Br)CC1 2092341240 ZETZVMGMBMCPKN-VIFPVBQESA-N 454.000 4.847 50 10 JJGE Cc1cc(Br)c([C@H](Br)[C@@H]2CO[C@H]3COC[C@H]23)cc1Br 2101883582 AESTZIKYALTYFZ-JYILRKAJSA-N 454.984 4.617 50 10 JJGE C[C@@H]1C[C@@H](Br)CCN(C(=O)c2cc(Br)cc(Br)c2)C1 2103284676 GNCSJZHJOURWBB-KOLCDFICSA-N 454.000 4.847 50 10 JJGE Cn1cc([C@@H](Br)c2c(Br)cc(F)c(F)c2F)c(Br)n1 2116551460 ILXRYQQRHFFVRN-MRVPVSSYSA-N 462.889 4.847 50 10 JJGE O=C(N[C@H]1CC[C@@H](CBr)CC1)c1ccc(Br)cc1Br 2118504985 DVIDPDVXFFLIQV-JGZJWPJOSA-N 454.000 4.895 50 10 JJGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CCCS2(=O)=O)c1Br 2136368548 XPILQTCALWYHCK-MFKMUULPSA-N 475.040 4.842 50 10 JJGE CCCN1CCC[C@@H]([C@H](Cl)c2cc(Br)c(Br)s2)S1(=O)=O 2145778784 NMTLRARQDQXXFS-WDEREUQCSA-N 465.660 4.757 50 10 JJGE CC(C)[C@@H](Br)[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2159243902 HNTRIMPYLGWUOI-RDDDGLTNSA-N 468.038 4.842 50 10 JJGE C[C@H]1C[C@H](Br)CCN(c2ncc(C(F)(F)F)cc2I)C1 2159541329 LDWYVTJQLIGXSD-WCBMZHEXSA-N 463.079 4.705 50 10 JJGE CC1(C)C[C@@H](CBr)CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 2172577771 LXYUNTLZZBGCRC-QMMMGPOBSA-N 465.660 4.596 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)NC1(CCBr)CCC1 2277927351 OSWQHSNPFOFQCO-UHFFFAOYSA-N 454.000 4.578 50 10 JJGE O=S1(=O)CCC[C@H]([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)C1 2288481603 XMPYRKFSDGTXSW-KGFZYKRKSA-N 452.542 4.595 50 10 JJGE BrC[C@@H]1CC[C@@H]2CN(Cc3ccc(Br)cc3Br)C[C@@H]2O1 2289185936 JUPKFNFKPHYOTR-ZLDLUXBVSA-N 468.027 4.586 50 10 JJGE CO[C@H](CO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 2336211949 KGVFGVQPKFOTHS-XLIONFOSSA-N 475.367 4.595 50 10 JJGE CN(C[C@@H]1CCC[C@H]1Br)C(=O)c1ccc(Cl)cc1I 2340062371 YYPAZXXHOPMSHH-JOYOIKCWSA-N 456.549 4.580 50 10 JJGE O=C(COc1ccc(Cl)cc1Cl)N[C@@H](CCBr)COCc1ccccc1 2343647131 WWDIXWUDZDHDAY-INIZCTEOSA-N 461.183 4.859 50 10 JJGE Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)CCCOc1ccc(Cl)cc1Cl 12578030 BONINIKRKZLFFS-UHFFFAOYSA-N 485.165 4.696 50 10 JJGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)c1ccc(OCc2ccccc2)cc1 14027960 TVCUNRWWDOBNNQ-UHFFFAOYSA-N 452.510 4.773 50 10 JJGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1cccc2ccccc12 14649839 QLKMNISAYNJOHN-UHFFFAOYSA-N 471.351 4.621 50 10 JJGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)CCCN3C(=O)c4ccccc4C3=O)c2)cc1OC 31902953 CCUMJZQQQHYPKU-QNGOZBTKSA-N 496.519 4.750 50 10 JJGE O=C(N/N=C/C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1)c1ccccc1Br 32695872 MOMZXAQNNHYUOV-HRDZTEILSA-N 466.379 4.628 50 10 JJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)c1 38659905 RPQRYXPHGGJMAP-HHHXNRCGSA-N 486.524 4.523 50 10 JJGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Cl)CCC3)c(OC)c1 40812668 VPSPIGZSIDLBOD-TURZUDJPSA-N 481.936 4.981 50 10 JJGE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822554 OFTBFTWHVHHOMH-QCKNELIISA-N 498.627 4.892 50 10 JJGE CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)CC[C@@H](O)c3ccc(OCC)cc3)c2C)c1 58894540 PICWJKZERDOSQQ-XBKLCXBFSA-N 491.588 4.633 50 10 JJGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1C 101242579 XLHZOIVPNHMXQC-YMGIJWJESA-N 457.555 4.639 50 10 JJGE CC(C)COc1c(Cl)cc(/C=N\NC(=O)Cc2ccc3nc(N)sc3c2)cc1Cl 169917235 MTQZPFSVSPQYIG-OPVMPGTRSA-N 451.379 4.913 50 10 JJGE N#C/C(=C/Nc1ccccc1Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)O)cc1 216944249 KFHIGAGYCIWVGG-NXVVXOECSA-N 451.529 4.543 50 10 JJGE CC(=NNC(=O)c1nn(C)cc1Br)c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 252623452 ORUJVGDGGJIIPG-UHFFFAOYSA-N 496.409 4.886 50 10 JJGE C[C@@H](Br)[C@@H]1CCCN(C(=O)c2ccc(I)c(Cl)c2)C1 689043490 LUVGLFPJJKEDLL-MWLCHTKSSA-N 456.549 4.580 50 10 JJGE C[C@H](Br)C[C@@H]1CCCCN1C(=O)c1cccc(F)c1I 721665450 NZPSDPLAFBNAHO-QWRGUYRKSA-N 454.121 4.599 50 10 JJGE C[C@@H]1CCCN(Cc2ccc(CNC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)cc2)C1 918573818 CXNVTAFVPLMBLE-MFSPXNBESA-N 492.627 4.919 50 10 JJGE COc1cc(/C=C\C(=O)Cl)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 1081478623 UGYJTHBVBRSKRN-DAXSKMNVSA-N 473.650 4.566 50 10 JJGE COc1cc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)ccc1OCCC(C)C 1087669584 XGBQMYKQIUNQDG-ZWKOTPCHSA-N 464.484 4.704 50 10 JJGE C=CCc1cc(CNC(=O)NNc2ccc(Cl)c(Br)c2)cc(OC)c1OC 1683367641 WXLKOYXQFWPILN-UHFFFAOYSA-N 454.752 4.675 50 10 JJGE O=C(COc1ccccc1Br)NN=Cc1cn(Cc2ccccc2)c2ccccc12 1772753992 KVWGFOHMHMBRQF-UHFFFAOYSA-N 462.347 4.981 50 10 JJGE CCCCOc1ccc(C=NNC(=O)COc2ccc(Br)cc2CC)cc1OC 1772755410 GHAZFFCAFPGPMB-UHFFFAOYSA-N 463.372 4.728 50 10 JJGE COc1cc(C=NNC(=O)CSc2nc3ccccc3o2)ccc1OCc1ccccc1F 1772760392 ILALWHCMNJEWOF-UHFFFAOYSA-N 465.506 4.797 50 10 JJGE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)ccc1O 1865695324 BLQLQGVMWCHTNG-LJQANCHMSA-N 465.351 4.892 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)c1OC 1865700864 GHUHIGGLOLIPCO-FQEVSTJZSA-N 471.344 4.782 50 10 JJGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OC 1865711105 PUWIGZKBYZVMMA-XMMPIXPASA-N 480.524 4.783 50 10 JJGE CC(C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)N1C(=O)c2ccccc2C1=O 1872747201 RTBXEKOAKLCAQI-HUZQBFDWSA-N 474.498 4.832 50 10 JJGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(NS(C)(=O)=O)cc3)n2)c(OCC)c1 1872755195 CKUCQGPMUHSIMA-QOCHGBHMSA-N 485.587 4.929 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OC)c(OCc2ccc(C)cc2)c1 1873794531 NFXQKXACYZXHGE-XEVLUGQISA-N 483.609 4.972 50 10 JJGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)CN2C(=O)COc3ccc(Cl)cc32)n1 1873921112 VSVQWAOYBOKWRD-MNDPQUGUSA-N 467.934 4.999 50 10 JJGE Cc1ccc(CC[C@@H](Br)CN2C(=O)c3ccccc3C2=O)cc1Br 1905406005 RAENKFGHTFOTPH-CQSZACIVSA-N 451.158 4.750 50 10 JJGE O=S1(=O)CC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923072762 RLFZYVYYWSCIKB-WUJLRWPWSA-N 473.433 4.550 50 10 JJGE Brc1cnccc1C[C@H](Br)c1cc(I)sn1 1983286340 OVDHIGYNEJLEKP-ZETCQYMHSA-N 473.959 4.584 50 10 JJGE CC[C@@H](CCCBr)NC(=O)c1ccc(I)c(Br)c1 2036518844 UVJVYHIRKOGTAW-JTQLQIEISA-N 488.989 4.737 50 10 JJGE C[C@](CI)(OCCOCCOCc1ccccc1)c1ccccc1F 2056733237 CLSIOKALNHSZIO-HXUWFJFHSA-N 458.311 4.726 50 10 JJGE CCCN1CC[C@@H]([C@H](Br)c2csc(Br)c2Br)S1(=O)=O 2093944090 DMVRYECETPWGTI-DTWKUNHWSA-N 496.084 4.523 50 10 JJGE O=C(c1sccc1I)N1CCC[C@@]2(CBr)CCC[C@@H]12 2108987092 YJDMRSCZIJXFNY-BXUZGUMPSA-N 454.171 4.523 50 10 JJGE C[C@@H]1CC[C@@H](CBr)N(C(=O)c2cccc(Br)c2Br)C1 2110611825 JUXSYXDVDKWSBU-ZJUUUORDSA-N 454.000 4.847 50 10 JJGE C[C@H](Br)CCCc1cn(-c2cc(Cl)ccc2I)nn1 2132755968 DFUHPBPSEVUPDC-VIFPVBQESA-N 454.537 4.631 50 10 JJGE Cc1cc(CN(C)S(=O)(=O)c2ccc(CBr)s2)sc1Br 2202305895 RLNVYPCZKSQHAP-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1[C@H](CCl)CCC12CCC2 2205771893 WWYXWMJHDNDLOI-NSHDSACASA-N 468.560 4.820 50 10 JJGE Cc1cc(C[C@H](Br)CN2C(=O)c3ccccc3C2=O)cc(C)c1Br 2209710959 RFADPFHZJDKJPB-AWEZNQCLSA-N 451.158 4.668 50 10 JJGE Cc1ccc(I)c(C(=O)NCC[C@H]2CCCC[C@@H]2Br)c1 2240902155 XEPGHOXUVRMQOO-OCCSQVGLSA-N 450.158 4.673 50 10 JJGE Oc1nc2cc([C@H](Br)c3cocc3Br)c(Br)cc2[nH]1 2270464969 SFAAAFKJJTYNQX-NSHDSACASA-N 450.912 4.871 50 10 JJGE CCCN1CCC[C@@H]([C@H](Br)c2scc(Br)c2Cl)S1(=O)=O 2279292419 JVOMXYYHUUKYER-UWVGGRQHSA-N 465.660 4.804 50 10 JJGE C[C@H](CBr)CC1CN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295316244 WDRWBQWABTXVDI-JTQLQIEISA-N 468.027 4.634 50 10 JJGE CC[C@@H](C)[C@@H](CI)NCc1ccc(Cl)cc1I 2302310174 UYOBSZZHAYUOSD-NOZJJQNGSA-N 477.555 4.884 50 10 JJGE BrCc1csc(OCc2cc(I)ccc2Br)n1 2302779496 WDRBARWXMMYRLE-UHFFFAOYSA-N 488.970 4.984 50 10 JJGE BrC[C@]1(Cc2ccc(I)c(Br)c2)CCCCO1 2306227446 NGELASPIIUNHDC-CYBMUJFWSA-N 473.974 4.930 50 10 JJGE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(F)cc2)cc1 2314533933 VKVXICMDJVHVIB-UHFFFAOYSA-N 454.461 4.734 50 10 JJGE CC(=NNC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C)c1ccc(S(C)(=O)=O)cc1 2321281263 ZHENYNDKHCWRJY-UHFFFAOYSA-N 476.385 4.921 50 10 JJGE CC(C)N1C[C@H](Cc2ccc(I)c(Br)c2)[C@@H](Br)C1 2325227243 YIIYLGDPHWDHAJ-AAEUAGOBSA-N 487.017 4.700 50 10 JJGE ClCc1nc(OCc2ccc(Cl)cc2I)ncc1Br 2340096268 SUUNNNJEPJJTEH-UHFFFAOYSA-N 473.923 4.815 50 10 JJGE CCN(C[C@](C)(CI)OC[C@H]1C[C@](OC)(C(F)F)C1)C(=O)OC(C)(C)C 2343097161 JVCVIIDPWYQPGC-DOPJRALCSA-N 491.357 4.514 50 10 JJGE F[C@H](CCl)C1CCN(Cc2ccc(I)c(Br)c2)CC1 2349860719 VXQOIBBUXUASEV-CYBMUJFWSA-N 460.556 4.843 50 10 JJGE Cc1nc(Br)c([C@@H](Br)c2cc(Br)cc3c2OCC3)n1C 2362482941 KLQZUUFXROYYJW-NSHDSACASA-N 464.983 4.673 50 10 JJGE Cc1scc(CN(C)S(=O)(=O)c2ccsc2CBr)c1Br 2369747167 ASTWAADWKAHXIH-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE C[C@@H]1[C@@H](Br)CCN(C(=O)Cc2cc(Br)cc(Br)c2)[C@H]1C 2370659805 SETDQJNHGKPXMP-BHDSKKPTSA-N 468.027 4.775 50 10 JJGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)O)c(Br)c2)cc1 1082817 BWHBFUGEELPDJV-NTUHNPAUSA-N 479.714 4.510 50 10 JJGE O=C/C(=C\Nc1cccc(N/C=C(/C=O)c2nc3ccccc3o2)n1)c1nc2ccccc2o1 3021260 PSAIYKPOYOGPKD-RFTYBOQRSA-N 451.442 4.668 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@@H]1c1ccccc1Br 38678537 FPOPVARVKUFNHZ-QHCPKHFHSA-N 477.314 4.652 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1ccccc1Br 38678617 XGVNYNDBFXAFGI-NRFANRHFSA-N 492.285 4.795 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1C(C)(C)C 40878740 ZLYYOVRFFMVGQU-XSFVSMFZSA-N 488.540 4.793 50 10 JJGE CC[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)C(=O)N[C@H](CC)CO[Si](C)(C)C(C)(C)C 206099925 OGCNVHFVKJLKGM-HDICACEKSA-N 460.808 4.820 50 10 JJGE CC[C@](C)(CCBr)NC(=O)c1cc(Br)ccc1I 228572170 WCNKVWOTPNGWIB-CYBMUJFWSA-N 488.989 4.737 50 10 JJGE CCCCN(CCBr)C(=O)c1cc(Br)ccc1I 232951052 YLSFIWCQSKOWGX-UHFFFAOYSA-N 488.989 4.691 50 10 JJGE COc1cc(C=NNC(=O)[C@H](OC)c2ccccc2)ccc1OCc1ccc(Br)cc1 252598905 DEIZEWFTBAONEV-HSZRJFAPSA-N 483.362 4.875 50 10 JJGE COc1ccc(C(=O)Nc2nnc(CC(=O)NN=Cc3c4ccccc4cc4ccccc34)s2)cc1 254479398 NKXGIZIPUFXGGI-UHFFFAOYSA-N 495.564 4.798 50 10 JJGE CC(=O)Oc1ccc(C(C)=NNC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc1 254514437 SEPGEOJKCKUGQM-UHFFFAOYSA-N 486.644 4.697 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@H](c2ccccc2I)C1 382681625 ANCVKLMVURODSM-DGCLKSJQSA-N 466.157 4.637 50 10 JJGE CCOc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1 382728247 SBHVNOFTUZEFHQ-QUCCMNQESA-N 465.331 4.873 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@@H]2CC[C@H](Br)C[C@H]2C1 398729163 KMVSEAWMTASWQZ-DCAQKATOSA-N 466.011 4.847 50 10 JJGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1)c1ccc(Cl)c(Cl)c1 1084390105 RLCMDFYOBSRCMA-UHFFFAOYSA-N 466.944 4.988 50 10 JJGE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684596 SRUQVIGBOUKGKV-IBGZPJMESA-N 455.743 4.874 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccccc1O)C(C#N)=C(N)O2 1865707651 CERAQWGSQOYRDK-LJQANCHMSA-N 451.324 4.511 50 10 JJGE O=C(c1scc(Br)c1Br)N1CC[C@H](C(F)(F)CBr)C1 1892737511 INSZGLUGFRVWMI-LURJTMIESA-N 481.982 4.765 50 10 JJGE Cc1ccc(Br)c(C(=O)N(C)C[C@H](Br)COCc2ccccc2)c1 1916385627 ICUUJHDGRKZBLO-INIZCTEOSA-N 455.190 4.810 50 10 JJGE BrCC[C@@H]1CCCN(c2ncc(I)cc2Br)CC1 2069531661 LBQDQBMTJLLGHH-JTQLQIEISA-N 488.005 4.840 50 10 JJGE O=C([C@H](Cl)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)N1CCOCC1 2071251580 DTIHICLXKZKTSU-RUZDIDTESA-N 451.950 4.983 50 10 JJGE CC(C)(C)OC(=O)N1CCN(C[C@@H](CBr)c2ccccc2)[C@@H](C(F)(F)F)C1 2186682018 IACCZULDZRFBDA-HZPDHXFCSA-N 451.327 4.649 50 10 JJGE COc1ccccc1[C@@H](CI)OC1CCN(Cc2ccccc2)CC1 2259461836 CAMVLOLCESSPQY-OAQYLSRUSA-N 451.348 4.853 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CCC2(CC1)C[C@H]2CBr 2283653705 JFISTVGUMHTQTA-NSHDSACASA-N 468.560 4.582 50 10 JJGE CC(C)(C)CCN(CCBr)C(=O)c1ccc(F)cc1I 2289887652 LNWCDOYRFWQIEE-UHFFFAOYSA-N 456.137 4.704 50 10 JJGE CC[C@H](Br)CN(C(=O)Cc1cc(Br)cc(Br)c1)C1CC1 2295309848 OLDHTZPHPCMAFF-NSHDSACASA-N 468.027 4.919 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc3c(c2)OCO3)c(Br)cc1OC(C)C 2295672234 DUFRTVYKTQQQTP-UHFFFAOYSA-N 473.323 4.909 50 10 JJGE O=C(COc1ccc(Cl)cc1Cl)NN=C1C(=O)N(CC=Cc2ccccc2)c2ccccc21 2313646639 VIQOZTNKUVSCOA-UHFFFAOYSA-N 480.351 4.953 50 10 JJGE BrCc1ccc(OCc2cc(I)ccc2Br)nc1 2319166036 YNLLAAUXCHYOGL-UHFFFAOYSA-N 482.941 4.923 50 10 JJGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)c1 2331325204 VZJWGZRVYUVLGU-QGZVFWFLSA-N 461.543 4.669 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCc2cccc(CC(F)(F)F)c2)C1 2353124628 UWOVQCAYTWRHPS-HUUCEWRRSA-N 485.284 4.731 50 10 JJGE CCn1nc(C)c(CBr)c1OCc1cc(I)ccc1Cl 2380346518 OMENKTVMPKBRFK-UHFFFAOYSA-N 469.548 4.943 50 10 JJGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)COc1ccc(-c2ccccc2)cc1 13981685 XFRYZTMOQSMMJZ-UHFFFAOYSA-N 452.510 4.626 50 10 JJGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C(/C)c2ccc(Cl)s2)cc1 27500546 HALYYCFLNUTNBI-HXTXRWNDSA-N 453.951 4.721 50 10 JJGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Br)c1 38651452 FMKMEEQQOVMCAK-QFIPXVFZSA-N 477.314 4.895 50 10 JJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1 38683249 BNASHCJKRWHTFT-JOCHJYFZSA-N 460.873 4.564 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1 38685848 MTULCPNVLOHPJC-PUAOIOHZSA-N 474.488 4.815 50 10 JJGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 40812300 UGZZBNGOSBOADA-TURZUDJPSA-N 453.901 4.781 50 10 JJGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4cccc5cccnc45)c(C)c32)cc1 40813886 NOCSMNVQFPNYMX-ZTKZIYFRSA-N 469.497 4.834 50 10 JJGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816134 LQDKHGYCZFPHAB-ZXVVBBHZSA-N 451.910 4.729 50 10 JJGE O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1ccc(NC(=O)c2ccccc2Cl)cc1 97729946 CYNNFGCOMJHRLJ-BHGWPJFGSA-N 473.272 4.623 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N2CCCC[C@@H]2CCCl)cc1Br 155818702 FLQXRSWTCMHMSV-LLVKDONJSA-N 459.631 4.692 50 10 JJGE CC(C)(C)C[C@@H](Cl)CNC(=O)c1cc(I)ccc1Br 232502506 SBELWOWPVQPLAM-SECBINFHSA-N 458.565 4.827 50 10 JJGE CC(=O)Oc1ccc(C(C)=NNC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1 263627257 OXTPHEUIAYUQLU-UHFFFAOYSA-N 472.570 4.642 50 10 JJGE Cn1ncc([C@H](Br)c2c(Br)cc(F)c(F)c2F)c1Br 398774439 JYMMWSOXDXRDCG-QMMMGPOBSA-N 462.889 4.847 50 10 JJGE Cc1cc(I)cc(-n2c(CCl)nc3cc(Br)cnc32)c1 690599550 JLAUTNWPHHUPMK-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE Cn1cc(C[C@@H](CBr)Cc2ccc(Br)cc2)c(Br)n1 714085833 RZQAVRODIUTELT-NSHDSACASA-N 451.000 4.741 50 10 JJGE Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C 786605257 FWDWHZJBPDDNOT-UNOMPAQXSA-N 476.464 4.539 50 10 JJGE CC1(C)[C@@]2(/C=C\[C@@]34CC[C@@](C(=O)O)([C@@H]3Br)C4(C)C)CC[C@@]1(C(=O)O)[C@H]2Br 1081155355 DZCAUHVDKAGJQC-NBKGESGXSA-N 490.232 4.852 50 10 JJGE O=C(NN=Cc1ccc(OCc2cccc(F)c2)cc1)C(O)(c1ccccc1)c1ccccc1 1084063943 QFQIUBJBXHBLDM-UHFFFAOYSA-N 454.501 4.791 50 10 JJGE O=C(Cc1ccc([N+](=O)[O-])cc1)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1084499889 RJOAOBVNTFQRJN-UHFFFAOYSA-N 490.519 4.794 50 10 JJGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(OC)cc1 1865693952 SFMZHDKGKXMOPN-SFHVURJKSA-N 486.450 4.525 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)cc1OC 1865695007 HQPYSDMEZUPDPL-QFIPXVFZSA-N 482.943 4.912 50 10 JJGE Cc1cc2cc(CC(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)ccc2nc1O 1866916190 UFLQSHZKJGRXFP-RUZDIDTESA-N 496.592 4.731 50 10 JJGE COc1ccc([C@H](CC(C)C)C(=O)NCC(=O)Nc2ccc(SC#N)cc2)cc1Br 1868164763 DICNJVYJTXCKMU-SFHVURJKSA-N 490.423 4.915 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@H](Br)CCc1ccc(F)c(Br)c1 1905342474 JIXIDPJRLMSQBE-GFCCVEGCSA-N 455.121 4.581 50 10 JJGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(CCl)ccc1Br 1915477289 BOWBLQNBOUDBSM-UHFFFAOYSA-N 460.821 4.804 50 10 JJGE CCN(CC)CC(=O)OC1CCN(c2ccc(C=C(C#N)c3ccc(OC)c(OC)c3)s2)CC1 2052964915 STLNUMIUXISGQQ-UHFFFAOYSA-N 483.634 4.683 50 10 JJGE Cc1cc(Br)cc(CBr)c1OCc1nn(C)cc1Br 2087326109 ZKYLWJAWPUTUHI-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE O=C(c1sccc1I)N1CC2(CCC2)CC[C@H]1CBr 2095701826 JKDPOTVXNAUULZ-JTQLQIEISA-N 454.171 4.523 50 10 JJGE C[C@@H]1CN(Cc2cc(Br)ccc2Br)C[C@@H](CCBr)O1 2122801946 XPQIUIMASNLTFD-ZWNOBZJWSA-N 456.016 4.586 50 10 JJGE CC(C)[S@](=O)(=NC[C@@H](CBr)C1CCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2126849692 IVPOAQBMZVBNPV-KRXBEKAOSA-N 451.471 4.683 50 10 JJGE CC(C)(C)OC(=O)NCC1(NC(=O)c2cccc(CCl)c2)CCN(Cc2ccccc2)CC1 2130842866 DSQVKXCSTISFIZ-UHFFFAOYSA-N 472.029 4.715 50 10 JJGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N(CCCN(C)C)Cc1ccccc1 2179862378 VNWBOZPUCASERU-UHFFFAOYSA-N 473.864 4.686 50 10 JJGE O=S(=O)(NC12CCC(CBr)(CC1)C2)c1cc(Cl)c(Br)s1 2189324630 GOKVSMRDOTWSLM-UHFFFAOYSA-N 463.644 4.540 50 10 JJGE CC1(C)CCC[C@@]1(CCl)NC(=O)c1ccc(Br)cc1I 2207265247 OWTIMMIPODCIHU-HNNXBMFYSA-N 470.576 4.971 50 10 JJGE O=C(c1sccc1I)N1[C@H](CBr)C[C@H]2CCCC[C@H]21 2232020787 UAUOJNJJXNWXNP-JFGNBEQYSA-N 454.171 4.521 50 10 JJGE CN(C(=O)c1c(F)cccc1I)[C@@H]1CCCCC[C@@H]1Br 2282793573 BJQUIUXYQXHATB-GXFFZTMASA-N 454.121 4.599 50 10 JJGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2293039115 DPDFERHLSVFSES-QFIPXVFZSA-N 477.973 4.984 50 10 JJGE COc1ccc(CCN2C(=O)C(=CNc3cccc4ccccc34)C(C)=C(C#N)C2=O)cc1OC 2314579019 HSJRKNKHZZROOB-UHFFFAOYSA-N 467.525 4.604 50 10 JJGE COc1ccc(CN2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(C)=C(C#N)C2=O)cc1 2314616511 CKMNZSPHMOJFLL-UHFFFAOYSA-N 469.453 4.656 50 10 JJGE COc1cccc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)c1OCc1ccc(F)cc1 2328835360 YTSBYWKOGPKIQA-UHFFFAOYSA-N 487.572 4.949 50 10 JJGE COc1ccc(C=C(C#N)C(=O)Nc2c(Br)cc(C#N)cc2Br)cc1OC 2329702706 NTXWACZOKHOHML-UHFFFAOYSA-N 491.139 4.646 50 10 JJGE CC(C)N(CCOCCBr)Cc1ccc(Cl)c(I)c1 2337220359 CIVCLKCVNNVHJJ-UHFFFAOYSA-N 460.581 4.567 50 10 JJGE FC(F)(F)[C@@H]1[C@@H](Br)CCCN1c1ncc(Br)cc1Br 2344085003 RYQCQLIMJLWDQL-CBAPKCEASA-N 466.921 4.901 50 10 JJGE CC[C@@H](NCCSSCCNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363828422 FAVABCSPTXLARL-HXUWFJFHSA-N 496.548 4.933 50 10 JJGE Cc1ccc(I)c(C(=O)NCC(C)(C)[C@H](Br)C(C)C)c1 2365866212 FWYQIPXSVMLVJB-CQSZACIVSA-N 452.174 4.775 50 10 JJGE Cc1ccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2cccc(C)c2)c2ccccc23)cc1 33267908 MOHDIAPWSZJIMA-XMMPIXPASA-N 469.566 4.830 50 10 JJGE N#C/C(=C\c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)C(=O)NC[C@H]1CCCO1 35447029 YUOZRNJLYLHSKX-CVDJXHADSA-N 456.590 4.542 50 10 JJGE CCCCOc1ccc(/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1OCC 38606682 JXBYAHSDRCRNFY-RCCKNPSSSA-N 454.567 4.672 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1 38650417 HSCATNWYRUKMHE-XMMPIXPASA-N 462.889 4.551 50 10 JJGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/NC(=O)c1cccnc1)CCC2 40814156 XONHLLDZPLWJSE-JJKYIXSRSA-N 479.540 4.937 50 10 JJGE CC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c(Br)c1 40951342 RMDJSBLPPOKIBY-OEAKJJBVSA-N 462.344 4.964 50 10 JJGE CCCCCCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1 100153653 UZZBEEFUHUHKEG-UHFFFAOYSA-N 453.583 4.833 50 10 JJGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)NC)cc1 101240437 QZPVMIZUYWPROE-OSEFQUDUSA-N 460.386 4.728 50 10 JJGE O=C(COc1ccccc1-c1ccccc1)NNC(=O)C1(c2cccc(C(F)(F)F)c2)CCOCC1 108755024 XWVVIGBHWKOCJK-UHFFFAOYSA-N 498.501 4.647 50 10 JJGE CN(C(=O)c1cc(Br)ccc1Br)[C@@H]1CCCC[C@H]1Br 157974714 OPLPYEHKWWTDBX-CHWSQXEVSA-N 454.000 4.990 50 10 JJGE CN(C(=O)c1cc(I)ccc1Br)[C@@H]1CCCC[C@@H]1Cl 234315899 JMTWWVKBTNGYBW-QWHCGFSZSA-N 456.549 4.676 50 10 JJGE COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C/C(C)=C\c2ccccc2)c1 254568167 YMTRVZUKTUDCSG-SNMATRAUSA-N 469.541 4.680 50 10 JJGE Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)CSc1nnc(SCc2ccccc2)s1 254826757 ZJIHBWCMPRPBND-UHFFFAOYSA-N 494.671 4.875 50 10 JJGE COc1cc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)ccc1Cl 382711745 ZIKZNEQEUADFMA-STQMWFEESA-N 451.732 4.734 50 10 JJGE C[C@H]1CN(c2ncc(C(F)(F)F)cc2I)C[C@H](C)C1Br 686113084 XIEWHJRSHJVFTO-YUMQZZPRSA-N 463.079 4.561 50 10 JJGE C[C@H](Br)CN(C1CC1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 691363911 DFGHRJMSIHOWKP-ZETCQYMHSA-N 466.022 4.692 50 10 JJGE O=[N+]([O-])c1cc(Cl)ccc1[C@H]1CN(Cc2ccccc2)C[C@@H]1CI 1614629967 NMESQCPXFKJFRD-YOEHRIQHSA-N 456.711 4.899 50 10 JJGE C/C(=C\C(=O)NNC(=O)COc1ccccc1-c1ccccc1)c1ccccc1OC(F)F 1618606336 FXLJDUVZXFKAPQ-BMRADRMJSA-N 452.457 4.585 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc(Cl)c1O 1865707495 XZKTYNXQXIYJAJ-HXUWFJFHSA-N 471.904 4.520 50 10 JJGE CCC(CC)N(CCBr)c1ncc(I)cc1Br 2015757047 NSACGDCXXHIAIP-UHFFFAOYSA-N 475.994 4.839 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H]2[C@@H](Br)CC[C@H]2C1 2032958604 HZRNEGQLGWCIMS-OOZYFLPDSA-N 458.013 4.519 50 10 JJGE O=C(NC[C@@H](Br)CC(F)(F)F)c1cc(Br)sc1Br 2055496814 BBQJRZQOBRKMEQ-BYPYZUCNSA-N 473.934 4.719 50 10 JJGE Cc1c(Br)c(C[C@@H](CBr)c2cccc(Br)c2)nn1C 2093833856 IVMNGKZDUQAAMZ-NSHDSACASA-N 451.000 4.975 50 10 JJGE CCn1ncc(Br)c1COc1cc(Br)ccc1CBr 2094303238 RETOMPHVWBALMW-UHFFFAOYSA-N 452.972 4.902 50 10 JJGE C[C@]1(CBr)CC(F)(F)CN1C(=O)c1cc(Br)ccc1Br 2159050318 SQLAHPKSKJOLJK-GFCCVEGCSA-N 475.953 4.846 50 10 JJGE Brc1ccccc1[C@H](CI)OCCCN1CCCCC1 2175869801 IIRFCFYTONZLBM-INIZCTEOSA-N 452.174 4.818 50 10 JJGE O=C(NCC[C@@H]1CCCC[C@@H]1Br)c1cc(I)ccc1F 2179625645 BUGSCHDXEMBFCJ-GWCFXTLKSA-N 454.121 4.504 50 10 JJGE C[C@]1(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CCC[C@@H]1Br 2182704510 GLAREECHIVTMNS-JQWIXIFHSA-N 466.022 4.740 50 10 JJGE O=C(c1sccc1I)N1[C@H](CBr)C[C@H]2CCCC[C@@H]21 2232011448 UAUOJNJJXNWXNP-SCVCMEIPSA-N 454.171 4.521 50 10 JJGE Fc1cc(Br)ccc1CO[C@H](CCl)[C@@H](I)CCl 2247632707 VFNWAQGWRXLKGU-WDEREUQCSA-N 455.920 4.755 50 10 JJGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2)C(C)=C(C#N)C1=O 2314616536 CYGXVOBMGSAXJA-UHFFFAOYSA-N 464.525 4.716 50 10 JJGE IC[C@@H](OCc1cccc(I)c1)c1ccccc1 2319044486 QSBCKIHHVOXGBC-OAHLLOKOSA-N 464.084 4.984 50 10 JJGE O=S(=O)(N[C@H](CCCl)COCc1ccccc1)c1c(Cl)cccc1Br 2320664215 KDNHLFWQWCPZQD-CQSZACIVSA-N 467.212 4.595 50 10 JJGE O=C(COc1ccc(Cl)cc1Cl)N[C@@H](CCBr)COCc1ccccc1 2343645665 WWDIXWUDZDHDAY-INIZCTEOSA-N 461.183 4.859 50 10 JJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc(Cl)c(Cl)c4)c(=O)c32)c1 2226563 RFNKJBDUHMQULW-QFIPXVFZSA-N 498.366 4.747 50 10 JJGE CCOc1ccc(N(C(=O)/C(C#N)=C\c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 207133000 OZWRXSMSLCGTGC-FXBPSFAMSA-N 476.554 4.731 50 10 JJGE C[C@@H](Br)C1CCN(C(=O)c2cc(Br)c(Br)s2)CC1 235123874 UDGPDMYMPLWKAC-SSDOTTSWSA-N 460.029 4.909 50 10 JJGE C=CCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccccc3)c(OC)c2)cc1 254294688 QFLKMALCKKAINC-PTHWDJNLSA-N 456.498 4.643 50 10 JJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccccc2OC)cc1 254746131 JYMLAAPVFJDFFY-UHFFFAOYSA-N 484.508 4.605 50 10 JJGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc([N+](=O)[O-])c3)n2-c2ccc(C)cc2)cc1 254820236 TVRCOOGCKNCOGR-UHFFFAOYSA-N 486.557 4.702 50 10 JJGE COCCO[C@@H]1[C@@H](Cl)C[C@H]1Oc1c(Br)cc(Br)cc1Br 300481604 XYUYZMSUDYLYST-DMDPSCGWSA-N 493.417 4.764 50 10 JJGE C[C@@H](CC(CBr)(CBr)c1ccccc1Br)CS(C)(=O)=O 706454087 BUSRQCLKYBMUKM-NSHDSACASA-N 491.083 4.548 50 10 JJGE CN(C[C@H]1CCC[C@@H]1Cl)C(=O)c1ccc(I)c(Br)c1 721510431 NTMRFTLFTXPZSZ-PWSUYJOCSA-N 456.549 4.533 50 10 JJGE CC1(C)C[C@@H](Cl)CCN(C(=O)c2ccc(I)c(Br)c2)C1 721578170 MYOYNXXFTZEEKW-NSHDSACASA-N 470.576 4.923 50 10 JJGE O=C(NNc1nc(-c2cccnc2)no1)c1cc(-c2ccccc2)nc2cc(Br)ccc12 728074977 NMYCKLWIXBENGX-UHFFFAOYSA-N 487.317 4.866 50 10 JJGE C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1CC=C 1084010455 RRVMUBFJPWPCSN-OQKWZONESA-N 492.417 4.998 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)cc1 1084124478 KCPJPZXHDZGTQU-SANMLTNESA-N 491.588 4.552 50 10 JJGE C=CCn1c(SCC(=O)NNc2cc(F)cc(Cl)c2)nnc1-c1ccc(Cl)cc1 1557417114 NZQWTENAJLPQDY-UHFFFAOYSA-N 452.342 4.812 50 10 JJGE CC[C@@H](Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)C(=O)OCc1ccccc1 1858690322 OERDRGZNNQRSGR-GOSISDBHSA-N 469.425 4.641 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865684242 OHYVJKGWBZYAKY-HSZRJFAPSA-N 480.524 4.539 50 10 JJGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701816 GFESDXZOUSDQSJ-FQEVSTJZSA-N 467.342 4.922 50 10 JJGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705687 BZLQPEOSUJLSCM-LJQANCHMSA-N 474.279 4.812 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706257 RMNGAEOZDMNJQA-QHCPKHFHSA-N 497.486 4.872 50 10 JJGE COc1ccccc1-c1csc(/C(C#N)=C(\O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 1872747099 NIWRCCMPHOVFGF-XLNRJJMWSA-N 464.503 4.513 50 10 JJGE O=C(NCCNC(=O)c1ccc(CBr)cc1)OCC1c2ccccc2-c2ccccc21 1956262384 QZTTZFSRWUCBLD-UHFFFAOYSA-N 479.374 4.850 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCC(C)(C)N(C(=O)OC(C)(C)C)C1 1985347160 OFHOZKKTYPNTAB-MRXNPFEDSA-N 463.710 4.660 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC[C@]1(NC(=O)OC(C)(C)C)CCC[C@H]2C[C@@H]21 2010825920 SYQWLOLADAUPJR-PNLZDCPESA-N 475.721 4.566 50 10 JJGE COC[C@H](C)OC[C@@H](Br)CCc1cc(Br)ccc1Br 2118523840 CJYHATPKGRXVMX-GWCFXTLKSA-N 459.016 4.959 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@H]2C[C@H](Br)CC[C@H]2C1 2148749420 HUTJZKHCQQZAIF-HBNTYKKESA-N 466.011 4.847 50 10 JJGE CCN(C(=O)c1cc(Br)ccc1I)[C@H]1CCC[C@H]1Cl 2224410614 PLDJLNCNOOZXHI-YPMHNXCESA-N 456.549 4.676 50 10 JJGE O=S1(=O)CCCC[C@H]1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225633822 LMSFIWYCMKNNMR-RYUDHWBXSA-N 479.003 4.754 50 10 JJGE Cc1cccc(C(=O)N2CCC[C@H](CCCBr)C2)c1I 2234180912 DACOBRPSYSNLKS-ZDUSSCGKSA-N 450.158 4.627 50 10 JJGE CC(C)(C)OC(=O)Nc1ccc([S@](C)(=O)=NCCCCI)cc1 2243589414 ORVLOKCKPJFTJM-QHCPKHFHSA-N 452.358 4.706 50 10 JJGE O=C(N[C@]1(CBr)C[C@H]2CC[C@H]1C2)c1ccc(I)c(Cl)c1 2283923601 JUFPUJNQDOYOHM-ZSGNIPIJSA-N 468.560 4.628 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@H](Br)[C@H]1C1CC1 2295311066 FXKYQDYPMMIWQZ-DZGCQCFKSA-N 466.011 4.529 50 10 JJGE COc1ccc(Br)cc1C=C(C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 2297551556 RLHOQIPAWUYCKI-UHFFFAOYSA-N 470.201 4.930 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)NN=Cc2cc(O)c(Br)cc2Br)cc1 2297708303 UOWHCARSOSKSMH-UHFFFAOYSA-N 484.188 4.744 50 10 JJGE COc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)cc1 2313562470 SPLAIYNLISQDIN-UHFFFAOYSA-N 458.470 4.527 50 10 JJGE COc1ccccc1C[C@@H](Br)c1c(Br)c(Br)nn1C 2338692061 ZCCUCIAPAMHEES-SECBINFHSA-N 452.972 4.632 50 10 JJGE CC1(CBr)CCN(C(=O)c2ccc(Cl)cc2I)CC1 2340061810 RTDFAIIJJOZZLT-UHFFFAOYSA-N 456.549 4.582 50 10 JJGE CCCO[C@@H]1[C@@H](Cl)C[C@@H]1OCc1cc(I)ccc1Br 2341838828 SKWMMKOPYHYEIW-MELADBBJSA-N 459.549 4.745 50 10 JJGE COc1ccc([C@@H](Br)[C@@H]2OCC[C@H]2C(F)(F)F)cc1I 2359465822 OURDURSJHKEHIU-GGZOMVNGSA-N 465.047 4.703 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@H]1c1ccccc1Cl 38650981 RQGFSKKDAZINBT-HSZRJFAPSA-N 450.853 4.682 50 10 JJGE O=C(NNc1ncnc(NCc2ccccc2Cl)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40658829 DTCXYAJEDCBIOR-UHFFFAOYSA-N 467.700 4.714 50 10 JJGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1ccco1)CCC2 40814476 SQOPVWKKSWVGDJ-BUVRLJJBSA-N 456.296 4.666 50 10 JJGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242384 BWLKFAJZBSMQCQ-FYAMCCBRSA-N 487.581 4.729 50 10 JJGE Cc1nc(COc2ccc(/C=C\C(=O)NNC(=O)c3cc(Cl)ccc3Cl)cc2)cs1 212377238 DOGUYTLFTXQZCU-WTKPLQERSA-N 462.358 4.812 50 10 JJGE C[C@H](NC(=O)/C(C#N)=C\NCCc1ccccc1Br)C12CC3CC(CC(C3)C1)C2 217059465 IHYDPTFMWACSRK-NYEWHKGZSA-N 456.428 4.710 50 10 JJGE CCn1cc(COc2c(Br)cc(CBr)cc2Br)cn1 234218140 XYPLSIRARYWMGF-UHFFFAOYSA-N 452.972 4.902 50 10 JJGE C[C@H](Cn1c(CCCl)nc2cc(I)ccc21)N(C)Cc1ccccc1 390507239 XHKIIQGGIBNUPH-OAHLLOKOSA-N 467.782 4.943 50 10 JJGE C[C@H]1C[C@H](CBr)CN(C(=O)c2cc(Br)ccc2Br)C1 398780963 IAIQLUISRYWVMS-VHSXEESVSA-N 454.000 4.705 50 10 JJGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCC(C)C)cc2)S(=O)(=O)c2ccccc2)cc1C 1083941999 GWWHFBJDCKCLIC-UHFFFAOYSA-N 493.629 4.684 50 10 JJGE C=CC[C@]1(C(=O)NNc2ccc(Cl)cc2Br)CCCN1C(=O)OC(C)(C)C 1557669683 JQYLIGNZAFHWJU-LJQANCHMSA-N 458.784 4.891 50 10 JJGE CC(=O)N1C[C@@H](CI)[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 1614615680 MUJYIAZPHJXLGB-ZWNOBZJWSA-N 465.175 4.721 50 10 JJGE C#CCN1CCC(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)CC1 1638678755 RONWXTWLPROZAT-RGEXLXHISA-N 455.389 4.522 50 10 JJGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751420 BHJQFLAVQTZQSQ-UHFFFAOYSA-N 460.515 4.626 50 10 JJGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751543 FQJHPPWGIQTHNG-HNNXBMFYSA-N 475.520 4.885 50 10 JJGE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccccc1OCc1ccc(Cl)cc1 1865701309 RXFVLAWYMHOFPL-QGZVFWFLSA-N 460.843 4.889 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H]2C[C@H](Br)C[C@H]1C2 2032959039 RRIPSLOFCQYITH-BIIVOSGPSA-N 458.013 4.661 50 10 JJGE O=C(NCC1(CBr)CCCCC1)c1cc(I)ccc1F 2169665974 XPWHCJXVJFRGEC-UHFFFAOYSA-N 454.121 4.506 50 10 JJGE O=C(c1cc(Br)ccc1I)N(CCCl)Cc1ccsc1 2171094023 KYVHXCFKYMECRP-UHFFFAOYSA-N 484.584 4.996 50 10 JJGE O=S(=O)(N[C@H](CCl)c1ccsc1)c1cc(Br)ccc1Br 2175669630 VNBGJFLUGLUTQV-LLVKDONJSA-N 459.612 4.532 50 10 JJGE CC1(C)CCCN(C(=O)c2ccc(I)c(Cl)c2)[C@@H]1CBr 2185807990 POFPBNJCXBHREE-CYBMUJFWSA-N 470.576 4.970 50 10 JJGE CCc1ccc(CBr)cc1S(=O)(=O)N1CCC[C@H](OCc2ccccc2)C1 2186379466 ALDHQQIPXZVWQE-FQEVSTJZSA-N 452.414 4.514 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCCCC(F)(F)C(F)(F)F 2217218082 XPDBVRWVSXYOKJ-LBPRGKRZSA-N 475.236 4.699 50 10 JJGE Cc1c(Br)cccc1CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1I 2243597770 ZXOBFEGEFJCKSS-GJZGRUSLSA-N 496.183 4.697 50 10 JJGE O=C(COc1ccc(Cl)cc1Cl)NN=Cc1cccc(OC(=O)C=Cc2ccco2)c1 2294162139 REOSXWSQAMYYNS-UHFFFAOYSA-N 459.285 4.734 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)c(Br)cc1OC(C)C 2295669983 TZNXZRUOARDEAM-UHFFFAOYSA-N 487.350 4.952 50 10 JJGE COc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(C)cc1 2313681252 YDUCXRKHBRAEOS-UHFFFAOYSA-N 457.442 4.677 50 10 JJGE COc1cc(C=C(C#N)c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1cccc(C)c1 2314432584 CWJDPWXSUDEOFP-UHFFFAOYSA-N 466.497 4.734 50 10 JJGE Brc1cc(CN2C[C@@H]3CC(Br)C[C@H]3C2)ccc1I 2325210018 UQYJFKNMOMDHAE-QWRGUYRKSA-N 485.001 4.659 50 10 JJGE COc1ccc(CCN2C[C@H](C(O)=C(C#N)c3nc(-c4ccccc4)cs3)CC2=O)cc1OC 2331304017 HHGPXKXNIINTBG-LJQANCHMSA-N 475.570 4.711 50 10 JJGE CC[C@]1(C)[C@@H](Br)CCN1C(=O)c1ccc(I)c(Cl)c1 2336765357 WRSWPFQOVRSFKV-GXTWGEPZSA-N 456.549 4.723 50 10 JJGE Cl[C@@H]1CC[C@H]2CN(Cc3ccc(I)c(Br)c3)C[C@@H]2C1 2349826165 DNFGQUGGRICFFO-RWMBFGLXSA-N 454.577 4.893 50 10 JJGE CCC[C@@H]1CN(C(=O)c2ccc(Cl)cc2I)C[C@@H]1CBr 2365586106 IKKCZWAOPJCQJY-MNOVXSKESA-N 470.576 4.828 50 10 JJGE CC(C)CO[C@@H]1[C@@H](Cl)C[C@H]1OCc1ccc(I)c(Br)c1 2377595359 OOUOHBLJIQDEGD-NWANDNLSSA-N 473.576 4.991 50 10 JJGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)COc1ccc(Br)cc1C 10683652 QCUFRUJSFFBXHV-DNVCBOLYSA-N 477.399 4.655 50 10 JJGE COc1cccc(O[C@@H](C)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)c1 40960746 FXEVBKBUJOPGJL-JEWIKEISSA-N 468.937 4.854 50 10 JJGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)cc1 98027934 FJACNJJCBWRPEC-ZHMFCHCHSA-N 487.556 4.818 50 10 JJGE CCOC(=O)c1cccc(NC(=O)[C@H](Br)[C@H](Br)c2ccccc2)c1 101642796 FOQBMBNBWMEGGZ-HZPDHXFCSA-N 455.146 4.702 50 10 JJGE O=C(N/N=C\c1c(F)cccc1Cl)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 169920467 IHFOWJVDNSNPHG-MRUKODCESA-N 452.700 4.760 50 10 JJGE COc1c(O)ccc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c1[N+](=O)[O-] 254876245 MFVVZSCAPJIQLK-UHFFFAOYSA-N 457.527 4.552 50 10 JJGE C[C@H](Cl)[C@H]1CCCCN1C(=O)c1cc(I)ccc1Br 688777528 OHKDOHYJSNRQJN-TVQRCGJNSA-N 456.549 4.676 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@]1(C)CBr 694662546 APGUKEYDZUFIGX-KRTXAFLBSA-N 460.029 4.766 50 10 JJGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3cn(C)c(Br)n3)c2O1 720044390 RKNZKKLBLKJTBX-JVXZTZIISA-N 464.983 4.753 50 10 JJGE COc1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)cc1OC 725411477 MOQJLUJBGABPQS-UHFFFAOYSA-N 454.910 4.709 50 10 JJGE CC[C@H](NC(=O)Cc1csc(COc2ccc(C)cc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866584295 BUYXHTXEGBGCAX-NRFANRHFSA-N 480.615 4.680 50 10 JJGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(I)ccc1O 1915075338 CTUXRMHCHSCYOP-AWEZNQCLSA-N 488.163 4.813 50 10 JJGE Cc1cc(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)ccc1Br 1916386135 JTBHVDQSUXGRPF-QGZVFWFLSA-N 455.190 4.810 50 10 JJGE COCCn1c(SCC(=O)C(C#N)=C2Sc3ccccc3N2C)nnc1-c1cccc(C)c1 2040463652 IPNZVZBMVSVFKL-UHFFFAOYSA-N 477.615 4.538 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@@H](Br)C2(CCC2)C1 2108689179 BCSHNKMKCPGETN-LLVKDONJSA-N 451.984 4.601 50 10 JJGE Cc1nn(C)c(Br)c1C[C@@H](CBr)c1cccc(Br)c1 2129307318 IFBBSELGZJUNPO-NSHDSACASA-N 451.000 4.975 50 10 JJGE CC(C)(C)OC(=O)Nc1cccc([S@@](C)(=O)=NC(=O)[C@H](Br)C2CCCC2)c1 2167034159 VOOPBHDMEPVRDW-CHAGWJKLSA-N 459.406 4.971 50 10 JJGE CN(C(=O)c1ccc(F)cc1I)C1(CBr)CCCCC1 2170163881 HVXFMSWGSXXNRV-UHFFFAOYSA-N 454.121 4.600 50 10 JJGE Brc1cccc(Br)c1CN1CCC2(CC1)C[C@@H](Br)CO2 2173134076 UVNOBRPDPGFTPO-LLVKDONJSA-N 468.027 4.730 50 10 JJGE Cc1ccc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)[C@H]1COC(C)(C)C1 2179791697 VCTQXXONRDQEHM-LJQANCHMSA-N 452.414 4.648 50 10 JJGE CC1(CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)CC2(CC(F)(F)C2)C1 2222927343 TZKJJHZWHSWJDT-QWHCGFSZSA-N 471.326 4.642 50 10 JJGE CCN(C(=O)c1ccc(Cl)c(I)c1)[C@@H]1CCC[C@H]1Br 2268342467 GHVLHTRQYDNRIZ-ZWNOBZJWSA-N 456.549 4.723 50 10 JJGE C=CC[C@]1(CBr)CCCN(C(=O)c2sccc2I)C1 2272143609 LYOHBZNOPXZVLU-CQSZACIVSA-N 454.171 4.546 50 10 JJGE C[C@@H](Br)C[C@@H]1CCCN1C(=O)Cc1cc(Br)cc(Br)c1 2295307981 RGGVODQQQSOEMP-YGRLFVJLSA-N 468.027 4.919 50 10 JJGE C[C@@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)CC[C@H]1CBr 2295310988 DXNPTVNIKFWPGT-PWSUYJOCSA-N 468.027 4.634 50 10 JJGE C[C@@H](Br)[C@@H]1CCN(Cc2ccc(I)c(Br)c2)C1 2306222078 PKJBJDUFWBXDCZ-MWLCHTKSSA-N 472.990 4.659 50 10 JJGE Cc1c(C=C(C#N)C(=O)NC[C@@H]2CCCO2)c2ccccc2n1Cc1ccc(Br)cc1 2313610371 WVIYOHXYAFHREK-NRFANRHFSA-N 478.390 4.963 50 10 JJGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 2314634106 MMWTWGMSXJVXAZ-VWLOTQADSA-N 453.454 4.740 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCCOc1ccccc1C 2314737156 PEMGOGNAWKRGSX-UHFFFAOYSA-N 484.552 4.992 50 10 JJGE Cc1ccc(C(=O)CCC(=O)NNC(=O)C=Cc2ccc(OCc3ccccc3)cc2)c(C)c1 2321193317 UFVVDSYXSRTBTP-UHFFFAOYSA-N 456.542 4.706 50 10 JJGE BrC[C@]12CC[C@@H]1CN(Cc1ccc(I)c(Br)c1)C2 2325232608 DAFXVALHOGPLIB-RISCZKNCSA-N 485.001 4.661 50 10 JJGE COc1cc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc(OC)c1OC 2331382140 AKKXAVUFCDXUIX-UHFFFAOYSA-N 479.558 4.675 50 10 JJGE Cn1nc(Br)c(Br)c1[C@H](Br)Cc1ccc(F)cc1F 2338862937 CPDCGDHECJTJQT-MRVPVSSYSA-N 458.926 4.902 50 10 JJGE CC(C)[C@H](Br)c1cn(Cc2ccc(Cl)cc2I)nn1 2341028989 AMLKXMCEPDASSI-ZDUSSCGKSA-N 454.537 4.676 50 10 JJGE O=C(COc1ccccc1-c1ccccc1)NNC(=S)NC(=O)c1sc2ccccc2c1Cl 13980045 PHLRGYMMRLUDAP-UHFFFAOYSA-N 496.013 4.936 50 10 JJGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl 14666913 LAJQEWPXSYSVQF-UHFFFAOYSA-N 460.155 4.866 50 10 JJGE CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)cc1 34792620 CZJFWVGFARWBJQ-ZQMPRBCBSA-N 470.573 4.776 50 10 JJGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc21 38649952 VDBRPAJZTUJHFJ-XMMPIXPASA-N 462.889 4.551 50 10 JJGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccccc2C)cc1 39858553 LPXZCISHWGCMGK-HKWRFOASSA-N 450.498 4.958 50 10 JJGE O=C(CSCc1ccc(Cl)cc1)N/N=C1\C(=O)N(CCOc2ccccc2)c2ccccc21 59167634 UXQDYKYOIFJSED-COOPMVRXSA-N 479.989 4.519 50 10 JJGE CCCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(C(=O)CCl)C2CC2)cc1OC 97914962 ZURFQNINUIOALR-QHCPKHFHSA-N 451.007 4.594 50 10 JJGE Cc1cccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1 103738205 MWLLCGJMNRGWQZ-RSLIBCCBSA-N 481.212 4.579 50 10 JJGE C=CCN1C2=C(S/C1=C(\C#N)S(=O)(=O)c1ccc(C)cc1)[C@@H]1c3ccccc3OC[C@@H]1CO2 105006852 RGBXOJITBIQJFB-NHSPGLHOSA-N 478.595 4.688 50 10 JJGE CCC[C@H](CCCl)CNC(=O)c1cc(I)ccc1Br 227492786 UJDMDPAAVVZGNZ-SNVBAGLBSA-N 458.565 4.829 50 10 JJGE CN(C(=O)c1cc(Cl)ccc1I)[C@@H]1CCCC[C@@H]1Br 234308286 HVXCIDRZBRZKJL-WCQYABFASA-N 456.549 4.723 50 10 JJGE O=C(CNc1c(Br)cc(Cl)cc1Br)NN=Cc1ccccc1F 252605376 GJZQXTQHCVQYFR-UHFFFAOYSA-N 463.532 4.566 50 10 JJGE COc1cccc(C=NNC(=O)c2ccc(Cl)c(Cl)c2)c1OS(=O)(=O)c1ccccc1 252634629 WPJZPHAIRZITNB-UHFFFAOYSA-N 479.341 4.534 50 10 JJGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3cccc(OC)c3)nnc2-c2ccccc2)cc1 254439683 AKMCPGISMQLRCC-UHFFFAOYSA-N 487.585 4.584 50 10 JJGE COc1cc(C=NNC(=O)c2cc3c(s2)CCCC3)ccc1OS(=O)(=O)c1cc(C)ccc1C 254877070 AGWSRILQXXLBJA-UHFFFAOYSA-N 498.626 4.784 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(S)cc2)C1 382715089 JNNDNGKHSQMRJU-AEFFLSMTSA-N 453.345 4.763 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2C[C@@H](Br)CC[C@H]2C1 398729162 KMVSEAWMTASWQZ-AXFHLTTASA-N 466.011 4.847 50 10 JJGE C[C@@]1(CBr)CCCN(C(=O)c2scc(Br)c2Br)C1 688874842 MHMXTIGHLKNTKJ-LBPRGKRZSA-N 460.029 4.910 50 10 JJGE CN(C(=O)c1cc(Cl)ccc1I)[C@H](CBr)C(C)(C)C 689261121 OXZAKCZEDUKSPP-GFCCVEGCSA-N 458.565 4.826 50 10 JJGE FC(F)(F)C[C@@H](CBr)NCc1cc(Cl)ccc1I 717829977 PDMYWHAETWMPSF-VIFPVBQESA-N 456.471 4.750 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682749 WYFAAEGCXKVHFL-XMMPIXPASA-N 498.514 4.678 50 10 JJGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(OC)c1O)C(C#N)=C(N)O2 1865684738 XAIGRHHQUPRFGT-IBGZPJMESA-N 471.344 4.733 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1ccccc1[N+](=O)[O-] 1865710275 SUNBFLDWGAOCPY-OAHLLOKOSA-N 461.787 4.671 50 10 JJGE COc1ccc(-c2nn(C)c3c2[C@@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865711546 BBUNTIINXDAZNL-DEOSSOPVSA-N 464.525 4.893 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)c1 1865712414 XURFLMDPKWPIGX-KRWDZBQOSA-N 478.833 4.969 50 10 JJGE COc1cccc(-c2ccc(C(=O)NNC(=O)/C=C/c3ccc(Cl)cc3Cl)c(C)n2)c1 1865758440 AJQCTHMNHJSCFC-YRNVUSSQSA-N 456.329 4.847 50 10 JJGE CC(C)C[C@H](C(=O)NCC(=O)Nc1ccc(SC#N)cc1)c1cccc(Br)c1 1868160703 KIJFXSQGYMGLSH-IBGZPJMESA-N 460.397 4.907 50 10 JJGE O=C(N[C@H](CCSC[C@@H]1C[C@H]1Br)C(=O)O)OCC1c2ccccc2-c2ccccc21 1877464598 DYUBDJSGMUBHFA-LVXYXVKQSA-N 490.419 4.885 50 10 JJGE C[C@@H]1[C@@H](NCCSSCCNC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)[C@@H]1C 1903284928 UXMHZSXFNKJXOV-BBWFWOEESA-N 463.710 4.516 50 10 JJGE O=S(=O)(NC[C@H]1CC[C@H](CBr)CC1)c1cc(Cl)c(Br)s1 1922705770 LIVFMQSVMRLFKD-KYZUINATSA-N 465.660 4.644 50 10 JJGE CN([C@@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(Br)cc(CCl)c1F 2156442201 LYVROJGLXCMQQV-SJORKVTESA-N 476.795 4.695 50 10 JJGE CN(C)CCCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1F 2179863216 ISPSBELWPHIJGV-UHFFFAOYSA-N 477.827 4.517 50 10 JJGE CC1(C)[C@H](Br)CCCN1c1ncc(C(F)(F)F)cc1I 2196915719 BFJAMLCUBSNRJA-SNVBAGLBSA-N 463.079 4.847 50 10 JJGE CC1(C)C[C@@H](Cl)CCN(C(=O)c2ccc(Br)cc2I)C1 2207272764 QPWCFUCNGGPOGL-NSHDSACASA-N 470.576 4.923 50 10 JJGE O=S(=O)(Cc1ccc(Br)cc1)N(Cc1ccccc1)[C@H](CBr)C1CC1 2218988258 XGSKAYQKSVSGCT-LJQANCHMSA-N 487.257 4.955 50 10 JJGE ClC[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncc(I)cc1Br 2231986462 WROMBGQCAAZKSE-SUZMYJTESA-N 455.565 4.825 50 10 JJGE Oc1nc2cc([C@@H](Br)c3cc(Br)co3)c(Br)cc2[nH]1 2270461643 SWVOJLMQTNBORF-LLVKDONJSA-N 450.912 4.871 50 10 JJGE C[C@]1(CNC(=O)c2cccc(Br)c2Br)CCC[C@@H]1Br 2271300163 IPRGILBBYSBBTF-SMDDNHRTSA-N 454.000 4.895 50 10 JJGE COc1cc(C=C(C#N)C(=O)Nc2nc(-c3ccccc3)cs2)cc(Br)c1O 2295672647 HGXIZYKPVOYSGW-UHFFFAOYSA-N 456.321 4.832 50 10 JJGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)NCc2ccco2)cc1C 2314593584 POTJOOSXTRVWAP-HSZRJFAPSA-N 475.545 4.778 50 10 JJGE COc1ccc(C=C(C#N)C(=O)N(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 2314777865 YHLILXPDEZRLDD-UHFFFAOYSA-N 496.972 4.995 50 10 JJGE CCCCCOc1ccc(C=NNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 2328827680 ZAHKZLPRYBQJGZ-QHCPKHFHSA-N 453.583 4.842 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1[C@H]2CC[C@@H]1C[C@H]2CBr 2330468462 BLJRMHGVPWIEHH-PLMOITTCSA-N 451.984 4.600 50 10 JJGE F[C@H]1[C@@H](Cl)C[C@H]2CC[C@H]1N2Cc1ccc(I)c(Br)c1 2349835023 ILKGIAQOVMMJNY-MWQHPAIMSA-N 458.540 4.736 50 10 JJGE ClC[C@]12CCC[C@H]1CN(Cc1ccc(I)c(Br)c1)C2 2349849658 BZOOUQABUFFKHD-WFASDCNBSA-N 454.577 4.895 50 10 JJGE CCN(C[C@](C)(CI)OCC1CC2(C1)CC(OC)C2)C(=O)OC(C)(C)C 2353035218 CQBCSAKWMZGITB-PUFPBPQXSA-N 481.415 4.659 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@H]2CC[C@H](Br)[C@@H]1C2 2355760434 GEEHCRIWBSPPJT-NRUUGDAUSA-N 466.011 4.990 50 10 JJGE C[C@H](Br)CCCN(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2361210559 SMSPDAABGKBEPL-QMMMGPOBSA-N 468.038 4.940 50 10 JJGE CC(C)COc1ccc(C(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1 9779849 UKEQXYRHMABMJV-UHFFFAOYSA-N 490.181 4.631 50 10 JJGE COc1ccc(C=NNC(=O)c2cc(-c3ccccc3OC)nc3ccccc23)cc1COC(C)=O 13108501 QBPMCDMKGWFLKR-UHFFFAOYSA-N 483.524 4.746 50 10 JJGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)c1 38684526 SAIRDMSSVTZLRL-SANMLTNESA-N 472.472 4.593 50 10 JJGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)c1 38684942 QQHFSDBGDMPGJJ-MHZLTWQESA-N 470.525 4.905 50 10 JJGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1 38687549 MZXFFWOZWTZREJ-SXOMAYOGSA-N 498.535 4.829 50 10 JJGE Cc1c(C(=O)N2CCCC[C@H]2C)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812805 QUFASNVOYMRGFI-HUEFVVPSSA-N 472.383 4.836 50 10 JJGE Cc1cc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)no1 40813748 HWHHWVOUSBKUMY-MFKUBSTISA-N 461.305 4.914 50 10 JJGE Cc1c(C(=O)Oc2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825973 ONDQQVHJECSZMX-ZTKZIYFRSA-N 457.461 4.965 50 10 JJGE CCc1ccc(N(C(=O)/C(C#N)=C/c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 40971381 SIYUYKCQIWATNF-OQKWZONESA-N 460.555 4.895 50 10 JJGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1ccc(Cl)cc1 58989458 NCDUFYAHVIUZFY-WPWMEQJKSA-N 476.005 4.948 50 10 JJGE COc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(CCc2ccccc2)C(=O)CCl)cc1OC 97914810 YCTNOLOJNJWXJL-ZWNWOPDOSA-N 487.040 4.750 50 10 JJGE CCOC(=O)/C(C#N)=C1/S[C@@H](Cc2cccc(C)c2)C(=O)N1c1ccc(Br)cc1 102974660 CIZOHIQWEIQESR-PMIVHWTLSA-N 471.376 4.747 50 10 JJGE Cc1c(C(=O)NNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)oc2ccccc12 106011413 SKOKIVHAESPTLI-UHFFFAOYSA-N 468.435 4.898 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)NC[C@H](C)CCCBr)cc1Br 384689530 IDGPNFKRGIELDM-SECBINFHSA-N 492.071 4.610 50 10 JJGE C[C@]1(CBr)CCCN(C(=O)c2cc(Br)cc(Br)c2)C1 688135999 MNGYZWLSRVJTDB-CQSZACIVSA-N 454.000 4.849 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc(OCc3ccccc3)nc2)c(-c2ccccc2)n1 918632310 DRBPQFODRWAZJG-KQWNVCNZSA-N 474.524 4.983 50 10 JJGE C=CCOc1cccc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 1084250164 ZFMGTWVPKBHRPY-UHFFFAOYSA-N 498.004 4.559 50 10 JJGE CCCCOc1ccc(C=NNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 1084351770 XTAFQMBKMBBPSN-UHFFFAOYSA-N 479.602 4.596 50 10 JJGE CC(=O)Nc1ccc(/C=C/C(=O)NNC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1 1087068691 MXYSGWDFIJARRN-LFIBNONCSA-N 464.525 4.643 50 10 JJGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3[nH]2)c1OCc1ccc(C)cc1 1772760449 NNSYUOLNGNGANC-UHFFFAOYSA-N 460.559 4.701 50 10 JJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)cc1OCC 1865691263 NZUMIXMUPHSNDX-XMMPIXPASA-N 474.561 4.849 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1ccc2c(c1)OCCO2 1865698633 ZBBBMCKBIVLPIB-SFHVURJKSA-N 488.853 4.593 50 10 JJGE COc1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)C(=O)N(c2c(C)cccc2C)C3=O)cc1OC 1866130361 QGMXTHUNAVDUEI-XDHOZWIPSA-N 481.508 4.667 50 10 JJGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)CC1=O 1872818239 SYCFJGFSCHFQDM-ODUIBEPXSA-N 481.480 4.721 50 10 JJGE CC1(C)C[C@@H](CBr)N(C(=O)c2cc(Br)sc2Br)C1 2033711094 GRYAIJFSMQDQLK-ZETCQYMHSA-N 460.029 4.909 50 10 JJGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Cl)c1c(Br)sc(Br)c1Br 2054217076 FWTDQVYTOWSFSW-ORKRIWSOSA-N 499.471 4.606 50 10 JJGE COc1ccc(C)cc1Cn1nc(CBr)c(I)c1C(F)(F)F 2079245795 NUJBHCNIVKDUPA-UHFFFAOYSA-N 489.073 4.767 50 10 JJGE C[C@@H]1C[C@@H](CCl)CCN1C(=O)c1ccc(Br)cc1I 2142287839 GOGLCVGCTYCHJD-ZJUUUORDSA-N 456.549 4.533 50 10 JJGE ClCCc1nc2cncc(Br)c2n1-c1cccc(I)c1 2151791339 UMRWFJSURUCXPY-UHFFFAOYSA-N 462.516 4.569 50 10 JJGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N(CCCN(C)C)Cc1ccccc1 2152204045 XLVGMHFBABXPDM-UHFFFAOYSA-N 473.864 4.639 50 10 JJGE CC(C)(C)OC(=O)N[C@H](C[S@](C)(=O)=NC(=O)[C@@H](Br)C1CCCC1)C(C)(C)C 2167032094 HPSQOEWCWNBWLH-OACFQNQOSA-N 467.470 4.504 50 10 JJGE O=S1(=O)CCc2cc([C@@H](Br)c3sc(Cl)cc3Br)ccc21 2170070760 QWKKOUSUASNLHY-GFCCVEGCSA-N 456.608 4.978 50 10 JJGE C[C@H](Br)CN1CCCN(Cc2ccc(Br)cc2Br)CC1 2176829046 UWYMWWMEIVCTHO-LBPRGKRZSA-N 469.059 4.503 50 10 JJGE O=C(NC[C@H]1CCC[C@H](CCl)C1)c1ccc(Br)cc1I 2207269179 POPOSYYRMKKPKH-QWRGUYRKSA-N 470.576 4.829 50 10 JJGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 2209470341 SGOCIKXMYMJEJN-YLFCFFPRSA-N 461.441 4.948 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(CCCCCI)C2)C1 2220221608 DESIOVYSKRRTDX-QZTJIDSGSA-N 464.432 4.951 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OC2(C)C3CC4CC(C3)CC2C4)C1 2259088834 PUXAXOXNRVOHIW-VSHCVGGASA-N 461.384 4.641 50 10 JJGE CC1(NC(=O)c2ccc(Cl)c(I)c2)CCC(Br)CC1 2268354998 XULNTNNHPMLTHE-UHFFFAOYSA-N 456.549 4.771 50 10 JJGE Cc1nn(-c2ccccc2)c(C)c1C=C(C#N)C(=O)OCC(=O)NCc1ccc(Cl)cc1Cl 2297364047 KQQLBWVLRBVLFK-UHFFFAOYSA-N 483.355 4.563 50 10 JJGE O=C(C=Cc1ccc(Cl)cc1)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 2313864524 RXNUIJHBGDYQMX-UHFFFAOYSA-N 450.372 4.557 50 10 JJGE CC[C@@H](C)[C@@H](CI)NC(=O)c1ccc(Cl)cc1I 2317769150 RCXRACNGQCQCTM-PRHODGIISA-N 491.538 4.524 50 10 JJGE BrC[C@H]1C[C@@H]2CN(Cc3ccc(I)c(Br)c3)C[C@H]12 2325204498 ORCCZEJHHBYNGS-IJLUTSLNSA-N 485.001 4.517 50 10 JJGE CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2sc(C(C)=CC#N)c(C)c2C(=O)OC)CC1=O 2331560258 MJEULNYIGJBPIW-LJQANCHMSA-N 479.602 4.886 50 10 JJGE Cn1nc(C(F)(F)F)c(CBr)c1Oc1cccc(I)c1 2365271984 QKRHDXNMBLYDIJ-UHFFFAOYSA-N 461.019 4.731 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CCC([C@H](F)CBr)CC1 2365598648 RNADLYBKMWVUAW-GFCCVEGCSA-N 474.539 4.530 50 10 JJGE C[C@@H](Br)CC1C[C@@H]2CC[C@H](C1)N2C(=O)c1csc(I)c1 2367001623 DPRRYEJTWSIEEM-KVAMGIGCSA-N 468.198 4.909 50 10 JJGE Cn1cc([C@@H](Br)c2cc3c(cc2Br)OCCC3)nc1Br 2369617161 YHUUEVLKPSSJAL-ZDUSSCGKSA-N 464.983 4.754 50 10 JJGE CC1(C)CC(CBr)(CN2CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)C1 2371149624 VGBKQCNYCXWQMC-ZIAGYGMSSA-N 457.375 4.965 50 10 JJGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 10683767 LITMVZDKAHATQH-RDTXWAMCSA-N 497.817 5.000 50 10 JJGE COc1cc(/C=N\NC(=O)CNc2ccccc2C)ccc1OC(=O)c1ccc(Br)cc1 33155062 QHRABYMCHUXMMM-VYYCAZPPSA-N 496.361 4.548 50 10 JJGE COc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Cl)CCC3)c1 40812615 XTRQPEWQLCIYCH-ZXVVBBHZSA-N 451.910 4.973 50 10 JJGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Oc5cccnc5)c(C)c43)coc2c1 40827013 XIAXIGJPSFQAEZ-ZTKZIYFRSA-N 471.513 4.965 50 10 JJGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccccc2)c(Br)c1 58886970 QSPWTVMQPZBJPQ-PPEIKGMUSA-N 467.363 4.992 50 10 JJGE CCCCN(C(=O)CCl)[C@@H](C(=O)NC1CCCCCC1)c1ccc(OCC)c(OC)c1 97914947 NAHPBJYVZFUMFY-HSZRJFAPSA-N 453.023 4.842 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N2CCCCC[C@@H]2CCl)cc1Br 157769332 QJJWUHZRGCDUQV-LLVKDONJSA-N 459.631 4.692 50 10 JJGE N#C/C(=C/NCc1ccccc1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216489057 INWUYYQTHJBEDL-DAFNUICNSA-N 471.004 4.771 50 10 JJGE CCc1ccc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)cc1 252632180 VPYYQAMXJTVRCK-FAWRTBKGSA-N 474.992 4.890 50 10 JJGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3C(=O)O)n2C2CCCCC2)cc1 254708127 XMIWPIRHONWOLR-UHFFFAOYSA-N 477.590 4.699 50 10 JJGE COc1cccc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)c1O 254734382 DOQGGCFPWWHINM-UHFFFAOYSA-N 496.639 4.940 50 10 JJGE BrCc1ccc(N2CC[C@H](N3CCN(Cc4ccccc4)CC3)C2)cc1Br 380052033 CMQVTLQGDFHPMI-NRFANRHFSA-N 493.287 4.741 50 10 JJGE FC(F)(F)c1cnc(N2CCCC[C@H](CBr)C2)c(I)c1 686112193 YPTSHQXANQORFW-SECBINFHSA-N 463.079 4.706 50 10 JJGE BrCc1ccc(Br)cc1N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 705933878 MMPBTOXNPIUNJB-HDICACEKSA-N 450.218 4.912 50 10 JJGE O=C1Cc2cc([C@H](Cl)c3ccc(I)c(Br)c3)ccc2N1 721618098 YYJQNHRQIUSNJM-HNNXBMFYSA-N 462.512 4.877 50 10 JJGE C[C@@H](Br)C[C@H]1CCCCN1C(=O)c1cccc(F)c1I 721665445 NZPSDPLAFBNAHO-GHMZBOCLSA-N 454.121 4.599 50 10 JJGE COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2nnc(-c3ccccc3Br)o2)c1C 768745569 BLSXOSWVNIHQID-ZNBBLSJYSA-N 499.365 4.775 50 10 JJGE O=C(NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1ccc(Cl)cc1 1084519290 VJERVKZAXBXNSA-UHFFFAOYSA-N 486.728 4.923 50 10 JJGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(Cl)ccc2-c2ccc(C)o2)cc1 1624364750 QQOMTJPHTVYZLE-HNNXBMFYSA-N 455.898 4.731 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865704324 SMVPTYULTOBVLL-DEOSSOPVSA-N 492.535 4.832 50 10 JJGE CC[C@@H](NC(=O)Cc1nc(-c2ccccc2Cl)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866663660 INGIXGBZUOJVCP-LJQANCHMSA-N 468.966 4.953 50 10 JJGE CCC[C@@H](NC(=O)Cc1nc(-c2ccc(OC)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866678299 XJVMMZGSNDIJQJ-OAQYLSRUSA-N 478.574 4.698 50 10 JJGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867057840 JMZMWWCDYBPZIY-CYXNTTPDSA-N 499.592 4.655 50 10 JJGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCCN1CCOCC1 1872791836 UERPVLZVIGSCJH-XSFVSMFZSA-N 465.550 4.733 50 10 JJGE CCCCCCOc1ccc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1OC 1873793047 TXAYJQMXHGNGPL-JVWAILMASA-N 466.534 4.598 50 10 JJGE O=C(NCC1CCC(CCl)CC1)c1cc(I)ccc1Br 1922694504 BPTRSLMMUGJJNI-UHFFFAOYSA-N 470.576 4.829 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CCC(CI)CC1 1949202501 RICSQPIONYKRQK-UHFFFAOYSA-N 493.002 4.560 50 10 JJGE O=C(NC1(CCCCl)CCC1)c1ccc(I)c(Br)c1 2140872226 OCUCDAUJHQXMMM-UHFFFAOYSA-N 456.549 4.725 50 10 JJGE CC(C)[C@@H]1[C@@H](Cl)CCN1C(=O)c1ccc(Br)cc1I 2142279669 STGNNGLMCXTKDW-WCQYABFASA-N 456.549 4.532 50 10 JJGE FC1(F)CC[C@@H]2[C@H]([C@H](Br)c3cc(I)cc4c3OCC4)[C@H]21 2170831809 RPKAHJVBVZZZQY-LPTSXCQYSA-N 455.080 4.953 50 10 JJGE CCN(Cc1cccs1)S(=O)(=O)c1cc(CBr)sc1Br 2179792765 KLDVFXXVKUEJQW-UHFFFAOYSA-N 459.250 4.678 50 10 JJGE O=S(=O)(c1cc(Cl)cc(CBr)c1F)N(Cc1ccccc1)C[C@H]1CCCO1 2179863234 IWGGZCQGSXEBSE-QGZVFWFLSA-N 476.795 4.744 50 10 JJGE Fc1cc2nc(CCl)n(C[C@H]3COCCN3Cc3ccccc3)c2cc1Br 2194649331 MEUMZNQVOJGWAA-HNNXBMFYSA-N 452.755 4.578 50 10 JJGE CCC[C@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@H]1CBr 2205698811 SXSIRAIDFRGNEV-DTWKUNHWSA-N 465.660 4.596 50 10 JJGE Cc1cc(C(=O)N2CCC[C@H](C)[C@H]2CCBr)ccc1I 2207104143 QQNNMCVCXAZCMQ-XHDPSFHLSA-N 450.158 4.625 50 10 JJGE N#CC(=Cc1ccccc1OCC(=O)Nc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 2314488605 LMMSMGXRQJNORJ-UHFFFAOYSA-N 476.876 4.811 50 10 JJGE COc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccc(C)cc2C)nc2ccccn2c1=O 2314533458 RBVSDFOBMLYSHL-UHFFFAOYSA-N 466.497 4.658 50 10 JJGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)CCCN3C(=O)c4ccccc4C3=O)c2)cc1 2320511326 QJMNAHWZOGBPFP-UHFFFAOYSA-N 466.493 4.741 50 10 JJGE FC(F)(F)[C@@H](CCCl)NCc1ccc(I)c(Br)c1 2325218201 MFOWFFSUFZAAKY-SNVBAGLBSA-N 456.471 4.703 50 10 JJGE CC(C)[C@H](CBr)N(C)c1ncc(C(F)(F)F)cc1I 2341317717 BVAAGAAPZAMBHB-JTQLQIEISA-N 451.068 4.561 50 10 JJGE Fc1cc(CBr)c(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)cc1Cl 2362411553 HKKMDOREHUAPDQ-NHCUHLMSSA-N 453.783 4.854 50 10 JJGE ClC[C@@H](Cc1ccccc1)NCc1ccc(I)c(Br)c1 2377317718 QHQYNTQKQXUMTH-CQSZACIVSA-N 464.572 4.993 50 10 JJGE COc1cc(-c2n[nH]c3c2[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc(OC)c1OC 9986118 LJDJJQNOYJXVED-QGZVFWFLSA-N 473.316 4.627 50 10 JJGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1OC 38650088 CXYFQESXKVDORF-VWLOTQADSA-N 456.498 4.921 50 10 JJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1OC 38681203 ARPJBZNBXZWTEX-MUUNZHRXSA-N 498.535 4.635 50 10 JJGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2)cc1 40527357 RIXCSWPNXROHAR-VWLOTQADSA-N 454.482 4.697 50 10 JJGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)c1 40529869 SRRJQSRGPUVSJJ-QUGAMOGWSA-N 486.499 4.982 50 10 JJGE Cc1c(C(=O)N2CCCC2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815502 MYFROIMRWAWQDX-QUPMIFSKSA-N 455.558 4.813 50 10 JJGE CC(=O)N1c2ccc(Br)cc2[C@](C)(Br)[C@@H](Br)C1(C)C 59500810 KMIRVZDNLKTFKA-JSGCOSHPSA-N 454.000 4.968 50 10 JJGE CC(C)Cc1ccc([C@@H](C)C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 66199351 CUCPLROECNFCLJ-CQSZACIVSA-N 467.791 4.631 50 10 JJGE N#C/C(=C(\O)NC(=O)C(Cl)(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102921181 CMBNWEVDEIIBGJ-QZQOTICOSA-O 490.734 4.718 50 10 JJGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3cccc(Br)c3)cc2[nH]1 109884387 PIQGYJNMYYTRET-ZDUSSCGKSA-N 460.951 4.866 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CCCC[C@@H]1CCBr 232348046 PLRFGJCYDZNNMS-LLVKDONJSA-N 456.549 4.724 50 10 JJGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccccc2F)cc1 254589619 LANRVNRRCFNTOP-RGNUTHIZSA-N 458.537 4.593 50 10 JJGE O=C1Cc2cc([C@@H](Cl)c3csc(I)c3)c(Br)cc2N1 306028043 PFSYLKOXIBVBSA-ZDUSSCGKSA-N 468.541 4.938 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(F)c(Br)c2)[C@@H](CI)C1 382714593 JFOYSDDGIWPZNI-NWDGAFQWSA-N 484.147 4.974 50 10 JJGE O=C(N[C@H]1CCC[C@@H](CBr)C1)c1cc(Br)c(Br)s1 385072877 UQLOMSCBVLNKEQ-SFYZADRCSA-N 460.029 4.957 50 10 JJGE O=S(=O)(NC1(CCBr)CCCCC1)c1cc(Cl)c(Br)s1 687286216 XLAWAEZGZWFVGU-UHFFFAOYSA-N 465.660 4.930 50 10 JJGE C[C@H]1CCN(C(=O)c2ccc(Br)cc2Br)C[C@@H]1CBr 700432601 PYKDSKZPVZORNE-UWVGGRQHSA-N 454.000 4.705 50 10 JJGE O=C(N[C@H](CCl)C1CCCC1)c1ccc(I)c(Br)c1 721591706 DPBDROIJJAPQHO-CYBMUJFWSA-N 456.549 4.581 50 10 JJGE COc1cc(F)c(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1OC 730503817 HOZSGOFDILTLTA-MHWRWJLKSA-N 479.899 4.819 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 1171837326 FCKBGJLKDZKQFJ-QGZVFWFLSA-N 475.721 4.804 50 10 JJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1 1865709514 WYXYJXLEHZEBAZ-INIZCTEOSA-N 474.826 4.549 50 10 JJGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3nnc(C)n3C)CC2)n1 1868301337 OEWPVFQFXUBEOB-UHFFFAOYSA-N 497.632 4.532 50 10 JJGE CC(C)(C)OC(=O)NC1C[C@@H]2CSC[C@H](C1)C2[C@H](CBr)NC(=O)OC(C)(C)C 1889711938 KREAVOYBBZLQFX-LXINESAQSA-N 479.481 4.557 50 10 JJGE Cc1c(Br)sc([C@@H](Br)C(C)(C)S(C)(=O)=O)c1Br 1922942130 QIUYCNVKESAQGS-MRVPVSSYSA-N 469.058 4.841 50 10 JJGE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCCSSCCNC(=O)OC(C)(C)C 1985349514 AFCLJBHXSJLWSB-DLBZAZTESA-N 463.710 4.518 50 10 JJGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CO[C@@H]2COC[C@@H]21 2040324142 CNTTUINQPJHCEK-JEMLMZEFSA-N 481.431 4.977 50 10 JJGE C[C@H]1CC[C@@H](CBr)CN1C(=O)c1cccc(Br)c1Br 2092332416 FGJRTQKRTFWZQO-UWVGGRQHSA-N 454.000 4.847 50 10 JJGE O=C(c1c(Br)cccc1Br)N1[C@H]2CC[C@H]1CC(Br)C2 2094088007 GOAABZKEPSNIFE-UWVGGRQHSA-N 451.984 4.742 50 10 JJGE C[C@H]1CC[C@H](CCl)N(C(=O)c2cc(I)ccc2Br)C1 2110617005 OCJMGDLRLORABD-GXSJLCMTSA-N 456.549 4.533 50 10 JJGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cn(C)nc1Br 2116553438 CBWXRTHQOXRNKG-LLVKDONJSA-N 456.935 4.577 50 10 JJGE Cc1nn(C)c(Br)c1[C@H](Br)[C@H](C)c1ccncc1Br 2129262872 HCUPNKUBGAIULK-JMCQJSRRSA-N 451.988 4.888 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1C[C@H](Br)CC2(CCC2)C1 2151344539 FTUVXZYSWSZRKE-SNVBAGLBSA-N 468.560 4.724 50 10 JJGE BrCc1cc(Br)cc(Br)c1OCc1cnn2c1CCC2 2167783253 NZEVDNPVPDOZJO-UHFFFAOYSA-N 464.983 4.828 50 10 JJGE BrC[C@@H]1C[C@H]2OCCN(Cc3cc(Br)ccc3Br)[C@@H]2C1 2199771293 ALODGHLPRLSSMH-COLVAYQJSA-N 468.027 4.586 50 10 JJGE Fc1cc(Br)cc2c1nc(CCl)n2C[C@H]1CN(Cc2ccccc2)CCO1 2232922782 KOWDJBAMWJSFEX-MRXNPFEDSA-N 452.755 4.578 50 10 JJGE CCN(C[C@](C)(CBr)O[C@H]1CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2242051983 ZMBMIFOGKUGTOK-UGKGYDQZSA-N 455.437 4.688 50 10 JJGE C[C@@]1(CNC(=O)c2cc(Br)c(Br)s2)CCC[C@H]1Br 2258798176 ZKRODFFCEQXTRS-SKDRFNHKSA-N 460.029 4.957 50 10 JJGE C[C@@H]1C[C@@H](Br)[C@@H](C)N(C(=O)c2ccc(Cl)c(I)c2)C1 2268343937 KCPONFPRMWOZQX-FXPVBKGRSA-N 456.549 4.579 50 10 JJGE CC(=O)OCCCN1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)C(C)=C(C#N)C1=O 2296854990 PHAOZQKYZSTBPI-UHFFFAOYSA-N 473.312 4.799 50 10 JJGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3C)nc3ccccn3c2=O)cc1 2314531521 BWYHOZFWHCZKHW-UHFFFAOYSA-N 494.507 4.518 50 10 JJGE COc1ccccc1C=C(C#N)C(=O)Oc1ccc2cc(C(=O)N[C@@H](C)c3ccccc3)c(=O)oc2c1 2314750973 HVQVPEWYXPACRX-SFHVURJKSA-N 494.503 4.805 50 10 JJGE C[C@]1(CBr)C=CCCN1Cc1ccc(I)c(Br)c1 2325210887 CUFZSABZMPYJQY-CQSZACIVSA-N 485.001 4.969 50 10 JJGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1cc(Br)cc(Br)c1 2330899001 CUMUDWVITAMGTC-VLIVSTDHSA-N 451.984 4.503 50 10 JJGE C[C@H](O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1I)c1cccc(OC2CC2)c1 2342606245 CVNBSQSOPQPKOX-DOPJRALCSA-N 473.351 4.728 50 10 JJGE Fc1cncc(OCc2cc(I)ccc2Cl)c1CBr 2352251842 MAIDUFMWNMMZJU-UHFFFAOYSA-N 456.480 4.953 50 10 JJGE Cc1cc(N(C)Cc2c(Br)c(Br)nn2C)ccc1CBr 2364376841 OIZIKTYMDYLCHN-UHFFFAOYSA-N 466.015 4.785 50 10 JJGE CC(C)[C@H]1C[C@H](Br)CN1c1ncc(C(F)(F)F)cc1I 2370877543 QKWAOQAOLJWLLG-GXSJLCMTSA-N 463.079 4.703 50 10 JJGE Cc1cc(C)c2c(c1)C(=NNC(=O)c1ccc(NS(=O)(=O)c3cccs3)cc1)CCC2 12602132 DKZBOMDWYUDXFL-UHFFFAOYSA-N 453.589 4.636 50 10 JJGE COc1cc(/C=N\NC(=O)c2cccnc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 33319809 IMRHWJRIMVICTA-RAWMCFOBSA-N 460.368 4.573 50 10 JJGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)c1 38651496 VFOSLGQIXLZRAZ-DEOSSOPVSA-N 491.341 4.960 50 10 JJGE Cc1c(C(=O)Nc2ccncc2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816295 MPIZUHMVTPFUOA-OGLMXYFKSA-N 487.343 4.778 50 10 JJGE COc1cc(/C=N/NC(=O)Nc2ccc(Cl)cc2)ccc1OCc1cccc(C(=O)O)c1 59250469 ADYRTMVJOAVTKP-DHRITJCHSA-N 453.882 4.781 50 10 JJGE O=C(N/N=C/c1ccc(I)cc1)c1cc2cc(Br)ccc2o1 59303736 CMDCFAVHVPCJKR-DJKKODMXSA-N 469.076 4.564 50 10 JJGE CCC[C@H](Br)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 134637193 NOHRWFSOGSNTAF-ZETCQYMHSA-N 454.011 4.598 50 10 JJGE CC(=O)c1ccc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 216493406 RXYPCNDQEXIKOL-QLYXXIJNSA-N 464.569 4.642 50 10 JJGE BrCC(CBr)(CO[C@H]1CCCOC1)c1cccc(Br)c1 312227217 AJWQZEQMISETOX-AWEZNQCLSA-N 471.027 4.672 50 10 JJGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CNCCN2S(=O)(=O)c2ccccc2)cc1 616637740 BQBBBATYHHJJGE-HSZRJFAPSA-N 460.716 4.586 50 10 JJGE COc1cc(C=NNC(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 1084028584 TWOQONZLYFPFBH-UHFFFAOYSA-N 484.306 4.709 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1C#N 1084045092 VHMVZOKNLLRIKT-NLRVBDNBSA-N 492.579 4.792 50 10 JJGE Cc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3ccccc3Br)c2C)c(C)c1 1084201993 YHIUQJRGRBBEAY-UHFFFAOYSA-N 467.367 4.562 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)ccc1O 1865681476 OFOGTEDVNNHQPR-DEOSSOPVSA-N 452.514 4.910 50 10 JJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)c1 1865691983 GTFKXQHADZNIPR-HXUWFJFHSA-N 457.317 4.723 50 10 JJGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865700928 HUOPXAROOMPBCP-HSZRJFAPSA-N 458.562 4.736 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCC(=O)c2cccs2)cc1 1866794398 UCUPOLVZZLHSCU-NRFANRHFSA-N 493.610 4.746 50 10 JJGE CCCC[C@@H](NC(=O)c1cc(-c2cc(F)ccc2OC)n(C)n1)C(=O)Nc1ccc(SC#N)cc1 1867106176 QQCGGHRTVPPDHA-HXUWFJFHSA-N 495.580 4.735 50 10 JJGE CC(=O)CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)CC1 1868432919 AYGDNORBBSCPJN-UHFFFAOYSA-N 479.009 4.825 50 10 JJGE CCc1ccc(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 1872743967 BCBYXUNDYWPGPR-JZJYNLBNSA-N 474.498 4.760 50 10 JJGE C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)OC(C)(C)C 1985350823 WOXTYJQQQJNZQW-SJORKVTESA-N 463.710 4.660 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H]2CC[C@@]1(CBr)C2 2029255408 SSSMFQFZBBEKHM-MADCSZMMSA-N 458.013 4.663 50 10 JJGE O=C(N[C@H]1CCCC[C@H]1CBr)c1csc(Br)c1Br 2032953384 IKQRMOVKWWJISW-CBAPKCEASA-N 460.029 4.957 50 10 JJGE CC1CC(CBr)(CNC(=O)c2cc(Br)sc2Br)C1 2065458058 FZDUTIALBUPSAK-UHFFFAOYSA-N 460.029 4.814 50 10 JJGE O=C(N[C@@H]1CC[C@@H]2C[C@@]21CBr)c1scc(Br)c1Br 2068359537 UQNLVNNELHUNKV-SLOVDRIHSA-N 458.013 4.567 50 10 JJGE O=C(N[C@@H]1CC[C@H]2C[C@]21CBr)c1scc(Br)c1Br 2068359538 UQNLVNNELHUNKV-ZQWFHOFHSA-N 458.013 4.567 50 10 JJGE CC(C)(C)OC(=O)N1CCC([S@](C)(=O)=NCC2(CBr)CCCCC2)CC1 2106783889 DGMUJLDLHNDEPK-SANMLTNESA-N 451.471 4.829 50 10 JJGE O=C(c1sccc1I)N1CCC[C@]2(CBr)CCC[C@H]12 2108987093 YJDMRSCZIJXFNY-FZMZJTMJSA-N 454.171 4.523 50 10 JJGE CN([C@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CBr)s1 2123242923 CIONMHMWEJSQJJ-FUHWJXTLSA-N 458.443 4.647 50 10 JJGE C[C@@H](Cl)CCCc1cn(-c2cc(Br)ccc2I)nn1 2132753867 DSHVRPVPHRAKAX-SECBINFHSA-N 454.537 4.584 50 10 JJGE C[C@@H](Br)CCCc1cn(-c2cc(I)ccc2Br)nn1 2132766455 YWTBDOAZYBVNQX-SECBINFHSA-N 498.988 4.741 50 10 JJGE O=C(N[C@H]1CCCC[C@@H]1CCCl)c1cc(Br)ccc1I 2146741102 XHNWLBZXZBEWOZ-YGRLFVJLSA-N 470.576 4.971 50 10 JJGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@@H]1C[C@H](CCl)C2 2184581372 BAFNAUVGWLBLIO-YHPBZONMSA-N 468.560 4.676 50 10 JJGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@@H]2[C@H](CBr)NC(=O)OC(C)(C)C 2241741492 NPRAUBNZTJGGLM-JZAWBGDQSA-N 461.441 4.994 50 10 JJGE Cc1c(Br)sc([C@@H](Br)C2CC(S(C)(=O)=O)C2)c1Br 2257527973 UPAKHUGAYJBEDZ-IEIXJENWSA-N 481.069 4.841 50 10 JJGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1COCCOC1 2272721978 OBPAONMEORXMQA-JTQLQIEISA-N 464.926 4.589 50 10 JJGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(F)cc3)C2=O)cc1 2296835027 OKAMDHVBRFLIOG-DEOSSOPVSA-N 471.557 4.877 50 10 JJGE C[C@H]1[C@@H](CBr)CCN1Cc1ccc(I)c(Br)c1 2306220422 XKOOESWABFDBEH-GXSJLCMTSA-N 472.990 4.659 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1cc([N+](=O)[O-])ccc1Cl 2314737246 UFBAQQRJWMNOLG-UHFFFAOYSA-N 491.887 4.699 50 10 JJGE COc1ccc(-c2ccc(C(=O)NN=Cc3c(Cl)nc4scc(C)n34)c(C)n2)cc1OC 2321248531 ULRHQEJWWMHFSZ-UHFFFAOYSA-N 469.954 4.509 50 10 JJGE COc1ccc(CCNC(=O)C(C#N)=CNc2ccc(Cl)cc2C(F)(F)F)cc1OC 2324718863 AOVUKUSSQBKUDV-UHFFFAOYSA-N 453.848 4.554 50 10 JJGE O=C(Cc1ccc(Br)cc1)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 2326843832 VIEXLQNRFYQSDQ-UHFFFAOYSA-N 482.765 4.712 50 10 JJGE CC(=Cc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 2330434429 XLHAIKDLORCDRX-XMMPIXPASA-N 457.555 4.735 50 10 JJGE COc1cc(C=C(C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCC(=O)Nc1ccccc1 2331049662 BKAGIWOTZNXJKO-UHFFFAOYSA-N 460.486 4.935 50 10 JJGE CC[C@]1(C)[C@@H](Cl)CCN1C(=O)c1cc(I)ccc1Br 2336762278 QEKIZUZJVPQQHX-GXTWGEPZSA-N 456.549 4.676 50 10 JJGE CC(C)C[C@H](CBr)CN=[S@@]1(=O)CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 2353824698 NFFQGMSLQUPWNL-ROGNIZAZSA-N 451.471 4.685 50 10 JJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2cccnc2)c(C)c1 1476890 MABNAYXEVAZQRE-JCMHNJIXSA-N 463.541 4.865 50 10 JJGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Nc1cccc2ncccc12 40794872 OAKTXEJKIHNXGT-UHFFFAOYSA-N 461.529 4.626 50 10 JJGE Cc1c(C(=O)N2CCCC[C@H]2C)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823176 GYGBVWPZVASEEE-LISLREERSA-N 485.400 4.592 50 10 JJGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(F)c2)C1=O 101332777 DACHNPQKLDMTFB-FYJGNVAPSA-N 470.504 4.689 50 10 JJGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1 206688834 VEYMNSMCYYCSGK-SJKIZNOSSA-N 456.498 4.911 50 10 JJGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@@H]1CSCCS1 229628007 ZKVZJZOJZUFQML-DTWKUNHWSA-N 456.777 4.928 50 10 JJGE C[C@@H]1C[C@@H](CBr)CN(C(=O)c2cc(Br)ccc2Br)C1 398780964 IAIQLUISRYWVMS-ZJUUUORDSA-N 454.000 4.705 50 10 JJGE C[C@@H]1CC[C@@H](CBr)CN1c1ncc(C(F)(F)F)cc1I 686107511 VARFIQSSCSLPGJ-BDAKNGLRSA-N 463.079 4.705 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N(C[C@H](C)Br)C(C)C)cc1Br 691374695 VFJZBLCQWNWBNS-JTQLQIEISA-N 492.071 4.703 50 10 JJGE ClCCc1nc2cc(I)ccc2n1CC1CN(Cc2ccccc2)C1 716225796 BXQJFDBUSINLLW-UHFFFAOYSA-N 465.766 4.554 50 10 JJGE C[C@]1(CCl)CCCCN1C(=O)c1cc(Br)ccc1I 723003371 JUKZIUIKIAQUBY-CQSZACIVSA-N 456.549 4.677 50 10 JJGE Cc1cc(C)n(-c2ccc(COC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)cc2)n1 746127063 FPEGMXYKYFIPPA-LFVJCYFKSA-N 476.540 4.917 50 10 JJGE O=C(CCc1ccccc1)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084360922 OTGAOXPEGPGVIZ-UHFFFAOYSA-N 480.337 4.588 50 10 JJGE Cc1cc([N+](=O)[O-])ccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 1614641297 JJEGNONYEFAUGS-LPHOPBHVSA-N 480.302 4.690 50 10 JJGE C=CCOc1ccc(C(=O)NNc2c(Br)cccc2Br)cc1OC 1635100072 LHHZFOZYBBFGPZ-UHFFFAOYSA-N 456.134 4.542 50 10 JJGE Cc1c(C(=O)NCCCn2ccnc2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772748611 ZQFYUZAUNIPFCE-UHFFFAOYSA-N 495.583 4.742 50 10 JJGE COc1ccc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1O 1772755792 SHABVMVEJBMMKN-UHFFFAOYSA-N 463.372 4.770 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccccc1OC)C(C#N)=C(N)O2 1865709939 KQNYNDNKFQKTRZ-OAQYLSRUSA-N 452.917 4.903 50 10 JJGE CCOC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1NC(=O)/C(C#N)=C/c1ccccc1 1865911664 WKDXUTCUVSSKHU-GHRIWEEISA-N 479.334 4.666 50 10 JJGE O=C(c1sccc1I)N(CCCBr)Cc1ccccc1 1914605342 IAALEWYXFMVPGE-UHFFFAOYSA-N 464.166 4.780 50 10 JJGE N#CC(=CNc1cc(C(F)(F)F)ccc1F)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 2041576621 OZBUXUHUVVVMSU-UHFFFAOYSA-N 454.323 4.994 50 10 JJGE CN(C(=O)c1cc(Br)c(Br)s1)[C@H](CCBr)C(F)F 2058235290 VHNMJSQJHDNPJQ-ZCFIWIBFSA-N 469.971 4.764 50 10 JJGE FC(F)c1ccc(CBr)c(I)c1I 2060236437 SXGMCAOMHVYHSO-UHFFFAOYSA-N 472.836 4.728 50 10 JJGE CC(C)(C)[C@H](CBr)CNC(=O)c1cc(Br)ccc1Br 2090197954 AZSJMAWOFGFIFS-SECBINFHSA-N 456.016 4.999 50 10 JJGE O=C(N[C@H]1CC[C@@H](CBr)CC1)c1cc(Br)cc(Br)c1 2118505685 POEDDBIQMLOWLE-SWZMTVOYSA-N 454.000 4.895 50 10 JJGE O=C(c1csc(Br)c1Br)N1CCC(COCCBr)CC1 2167399475 CIPIMHWVLHBMIR-UHFFFAOYSA-N 490.055 4.537 50 10 JJGE Cc1cc(S(=O)(=O)N2CC[C@@]2(C)CCOCc2ccccc2)ccc1CBr 2197755446 SUZNRNAUIBUUIO-NRFANRHFSA-N 452.414 4.650 50 10 JJGE CC1(C)C[C@@H](CBr)N(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295310100 SGXQISLAQYOLGJ-ZDUSSCGKSA-N 468.027 4.776 50 10 JJGE Cc1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc(Cl)c3)o2)c(=O)n(-c2ccccc2)n1C 2296727471 FBTGWBNHZGWBKD-UHFFFAOYSA-N 458.905 4.944 50 10 JJGE COc1cc(Br)cc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)c1O 2323163499 MEJHVCJOGKQGHY-LBPRGKRZSA-N 456.340 4.533 50 10 JJGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1cc(Br)cc(Br)c1 2330899002 CUMUDWVITAMGTC-XMUKKISLSA-N 451.984 4.503 50 10 JJGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1c(Br)cccc1Br 2330900404 IBIHKJPAWVHWNC-LDDIKCJXSA-N 451.984 4.503 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1OCCO[C@H]1C 2339650464 GJISENSPPKUFSM-LCHGKGQCSA-N 460.963 4.899 50 10 JJGE CC1CCC([C@@H](CBr)NC(=O)c2sccc2I)CC1 2351619598 GCHVCLVNELPZGV-RTYFJBAXSA-N 456.187 4.672 50 10 JJGE COCCc1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)cc1 2364228850 RRSYLPQIBQEKEZ-LLVKDONJSA-N 466.999 4.618 50 10 JJGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OC(C)C)cc3)ccc21 38650030 KLBNFHPEXVMTHR-VWLOTQADSA-N 456.498 4.920 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(F)c(F)c2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40659372 IRMUEMRBMNWDEZ-UHFFFAOYSA-N 476.443 4.682 50 10 JJGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(Cl)c2)CCC3)cc1 40813356 CYRRWSNBOQFTPD-ZXVVBBHZSA-N 451.910 4.973 50 10 JJGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 40826467 SVNWHHUQVJWSPM-YZSQISJMSA-N 482.334 4.779 50 10 JJGE CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 50568367 WOVLVKLTJOXVJU-PDGQHHTCSA-N 483.484 4.951 50 10 JJGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)C2CCCCC2)cc1I 59152646 DWNCYRRZLWANBT-AFUMVMLFSA-N 487.341 4.772 50 10 JJGE COc1cccc(CN(C(=O)CCl)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)c1 97914627 ICQPHUUCTLDXDB-VWLOTQADSA-N 472.029 4.519 50 10 JJGE O=C1Cc2cc([C@H](Br)c3ccc(I)c(Cl)c3)ccc2N1 232343142 IRAVNYOGEMLNFT-HNNXBMFYSA-N 462.512 4.924 50 10 JJGE O=C(NC[C@H]1CCCC[C@@H]1Br)c1ccc(I)c(Cl)c1 232349145 MEYYWYYUSONLBR-MNOVXSKESA-N 456.549 4.628 50 10 JJGE CC(=NNC(=O)c1ccc(Cn2cccn2)o1)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 252639263 YIUNVFUUJLHPNR-UHFFFAOYSA-N 461.909 4.584 50 10 JJGE Cc1cc(C(=O)CCl)c(C)n1-c1ccc(I)cc1Br 311588226 XBRWNDXNSXYNJW-UHFFFAOYSA-N 452.517 4.883 50 10 JJGE O=C(CBr)c1cc(Br)cc(C(F)F)c1I 575686545 OXSBYDVOTZUPJS-UHFFFAOYSA-N 453.846 4.569 50 10 JJGE O=C(CBr)c1cc(C(F)F)c(I)cc1Br 575687713 VONGOOMLVOFOAC-UHFFFAOYSA-N 453.846 4.569 50 10 JJGE COc1ccc(CCNC(=O)Nc2cccc(C(=O)Nc3ccc(SC#N)cc3)c2)cc1OC 586630789 RZUIIVGNQGLEPR-UHFFFAOYSA-N 476.558 4.893 50 10 JJGE CC(C)N(C[C@@H](C)Br)c1ncc(C(F)(F)F)cc1I 686113001 UNXRLKZFNXJZGB-MRVPVSSYSA-N 451.068 4.703 50 10 JJGE C[C@@H](Br)[C@H]1CCCN(C(=O)c2cc(Br)cc(Br)c2)C1 708341889 WVOAGTOPRKPJHF-ZJUUUORDSA-N 454.000 4.847 50 10 JJGE CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 1083981550 YQSWUAIRGMLKEF-XNTDXEJSSA-N 463.317 4.880 50 10 JJGE O=C(NN=Cc1ccccc1OCc1cccc(Br)c1)c1ccc(N2CCCC2=O)cc1 1084130563 BFTXVSLDRBVMIE-UHFFFAOYSA-N 492.373 4.919 50 10 JJGE Cc1cc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)ccc1[N+](=O)[O-] 1614641316 KCKRZCRGQKDDCG-ZWKOTPCHSA-N 480.302 4.690 50 10 JJGE Cc1ccc2c(c1)C(=NNC(=O)COc1ccc3cc(Br)ccc3c1)C(=O)N2C(C)C 1772720431 OENDWKKTXAEJRV-UHFFFAOYSA-N 480.362 4.565 50 10 JJGE Cc1c(C(=O)NNc2ccccc2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772748414 PXEVVLHYKUEHAL-UHFFFAOYSA-N 452.514 4.969 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681472 ODJUKSZPLBCINM-DEOSSOPVSA-N 480.524 4.545 50 10 JJGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC)cc1OC 1865692257 KPELHNFSMQWMRM-LJQANCHMSA-N 475.387 4.770 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865698009 HVZZPZMUWKVICJ-QFIPXVFZSA-N 480.927 4.666 50 10 JJGE Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2I)cc1 1866127342 YWMANIFHCDRDLN-MDWZMJQESA-N 467.104 4.908 50 10 JJGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cccc(F)c1I 1914654280 FAUZPEYFEBJRAP-GFCCVEGCSA-N 476.127 4.856 50 10 JJGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(I)ccc1F 1961213627 HKMVDWRQIYZTFV-GFCCVEGCSA-N 476.127 4.856 50 10 JJGE CC1(NC(=O)OC(C)(C)C)CCC(NCCSSCCNC(=O)OC(C)(C)C)CC1 1985347544 UQCLYFPWJYDWEZ-UHFFFAOYSA-N 463.710 4.708 50 10 JJGE C[C@H](Br)[C@H](NCc1ccc(I)c(Cl)c1)C(F)(F)F 2086655335 NBSNEVZCOBDZTF-WKEGUHRASA-N 456.471 4.749 50 10 JJGE CN([C@@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CCl)cc1Br 2100207655 OBUNKFJKRYLDAD-MSOLQXFVSA-N 458.805 4.556 50 10 JJGE C[C@@H]1C[C@@H](CCl)CCN1C(=O)c1ccc(I)c(Br)c1 2115847621 MVKMXMBGWVRFMN-ZJUUUORDSA-N 456.549 4.533 50 10 JJGE Cc1c(Br)ccc([C@@H](Br)[C@H]2CCCCS2(=O)=O)c1Br 2138853780 REZQMEGFBMOZGK-DGCLKSJQSA-N 475.040 4.923 50 10 JJGE Cc1ccc(C(CBr)(CBr)Cc2nn(C)cc2Br)cc1 2143632629 CQIVWTFWSPDZEH-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE O=S(=O)(c1cc(Br)cc(CCl)c1F)N(Cc1ccccc1)C[C@H]1CCCO1 2152215939 ZGJNLQYOJLWFBQ-QGZVFWFLSA-N 476.795 4.697 50 10 JJGE Cc1cc(C(=O)N2CCC[C@H](C)[C@@H]2CCBr)ccc1I 2207104140 QQNNMCVCXAZCMQ-NHYWBVRUSA-N 450.158 4.625 50 10 JJGE O=C(NC[C@]12CCC[C@]1(CBr)C2)c1cc(Br)cc(Br)c1 2208039795 NFBZBUKUAGTXTF-HUUCEWRRSA-N 466.011 4.897 50 10 JJGE ClC[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncc(I)cc1Br 2231979669 WROMBGQCAAZKSE-GAFUQQFSSA-N 455.565 4.825 50 10 JJGE Cc1ccc(C(=O)N2CCCC[C@H]2[C@@H](C)CBr)cc1I 2232834680 WIINQVKEFVHKPJ-WFASDCNBSA-N 450.158 4.625 50 10 JJGE COc1ccc(Br)cc1C=C(C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 2297551678 YTJWFJLTFZJIBC-UHFFFAOYSA-N 481.100 4.674 50 10 JJGE O=C(CNc1ccc2ccccc2c1)NN=Cc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2297635496 BKYPXDFOPVVXRO-UHFFFAOYSA-N 468.469 4.529 50 10 JJGE CC(C)(CI)CN(CC1CCCC1)C1CN(C(=O)OC(C)(C)C)C1 2306809369 IRVZWAUMPWUUAT-UHFFFAOYSA-N 450.405 4.559 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1[C@H]2CC[C@@H]1[C@H](CBr)C2 2308530548 GKXPFEQBZQZQGO-ACLDMZEESA-N 458.013 4.661 50 10 JJGE CCO[C@H]1[C@@H](OCc2cc(I)ccc2Br)C[C@H]1Br 2319215034 VPXXFJMMGKWOQG-FRRDWIJNSA-N 489.973 4.511 50 10 JJGE Brc1cc(CN2CC[C@H](Br)[C@@H]2C2CC2)ccc1I 2325206911 LXKGRCDRVVDUAT-FZMZJTMJSA-N 485.001 4.802 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)c(OC)c1OC 2331413559 AEHWBRBFHLIEAZ-UHFFFAOYSA-N 484.446 4.602 50 10 JJGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2[C@H]3COC[C@H]32)c1Br 2339655853 HXQGQZFNMDFCII-UFGYURQFSA-N 454.984 4.857 50 10 JJGE C[C@H]1[C@H](C)N(C(=O)c2ccc(Br)cc2I)CC[C@H]1Cl 2344514181 JKZBGXBUBKOCRS-HOTUBEGUSA-N 456.549 4.532 50 10 JJGE CC(C)[C@@H]1C[C@@H](Br)CN1C(=O)c1cc(Cl)ccc1I 2344616302 XAZLKDSANBMNPJ-RNCFNFMXSA-N 456.549 4.579 50 10 JJGE COC[C@@H](C)OC[C@H](Br)CCc1cc(I)ccc1Cl 2352415991 PDEUAEOPRBNERJ-ZYHUDNBSSA-N 461.565 4.692 50 10 JJGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)c1 14653048 YUNAAQIZFPQNNJ-UHFFFAOYSA-N 477.399 4.756 50 10 JJGE O=C(N/N=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1)c1ccccc1[N+](=O)[O-] 20074667 HJYHTPBGEMFGPH-KEBDBYFISA-N 469.460 4.621 50 10 JJGE O=C(COc1ccccc1)NNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 33809218 HVYYIBOOCIINBX-UHFFFAOYSA-N 474.520 4.804 50 10 JJGE COc1cc(/C=C(/C#N)c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1ccc(F)cc1 34988306 YBOGEBOGVWGJOI-ATVHPVEESA-N 470.460 4.565 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1ccc(Br)cc1 38651619 YRCCWGAFMHGCNL-OAQYLSRUSA-N 492.285 4.795 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1 38685820 MFTUKZSPNQAFHD-SANMLTNESA-N 470.525 4.905 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1 38685879 AEYBYFPMPRRTID-HHHXNRCGSA-N 470.525 4.905 50 10 JJGE Cc1ccc(COc2ccc(/C=N/NC(=O)COc3ccccc3Br)cc2)cc1 40911765 KCRXDELSARHBIY-AFUMVMLFSA-N 453.336 4.866 50 10 JJGE CCCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(CCCOCC)C(=O)CCl)cc1OC 97914981 XLFULRVAHOEJNI-RUZDIDTESA-N 497.076 4.858 50 10 JJGE COc1cc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCCBr 102469435 PFARWWCTSZWBLX-FNSVQNJISA-N 484.375 4.773 50 10 JJGE CC(C)(CCCBr)CNS(=O)(=O)c1cc(Br)ccc1Br 227946517 XNFQKUPEGKGVDZ-UHFFFAOYSA-N 492.071 4.691 50 10 JJGE CCCCOc1ccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2)cc1 254568447 FHXYUGZKALVRAY-UHFFFAOYSA-N 472.545 4.515 50 10 JJGE COc1cc(C=NNC(=O)CNc2cccc(C(F)(F)F)c2)ccc1OC(=O)c1ccccc1F 263629029 PUGXTNRRHXHGAX-UHFFFAOYSA-N 489.425 4.635 50 10 JJGE C[C@@H]1CCCN(C(=O)c2cc(Br)ccc2I)[C@@H]1CCCl 700358370 HRKKODNXPFBSCC-QMTHXVAHSA-N 470.576 4.923 50 10 JJGE Cc1ccc(-c2nc(CCNC(=O)NNC(=O)c3ccccc3OCc3ccc(F)cc3)co2)cc1 726711743 JJCKGAYRMMNBCK-UHFFFAOYSA-N 488.519 4.555 50 10 JJGE Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 726942443 FMNPRBXWMUHGMQ-HZHRSRAPSA-N 480.572 4.704 50 10 JJGE COc1cc(C(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)ccc1OCc1ccc(Cl)cc1Cl 1084038761 BIHZFTYLICSJDH-UHFFFAOYSA-N 490.299 4.959 50 10 JJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=CC(Cl)(Cl)Cl 1084265551 DUWVLQJZGJCERE-NSHDSACASA-N 496.251 4.682 50 10 JJGE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084417716 WMVYBBWDFRHJPT-APDHKMKFSA-N 478.505 4.851 50 10 JJGE C/C(=C/C(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1)c1cccc(Cl)c1 1136464074 GXIPYEABUIDGHN-MHVKMUOSSA-N 459.977 4.518 50 10 JJGE Cc1ccc(OCCCC(=O)NN=Cc2ccc(Br)cc2)c(Br)c1 1772755518 KNJBNTIKDRXVDO-UHFFFAOYSA-N 454.162 4.829 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)ccc1OCc1ccc(C)cc1 1865687873 CBQOGACCXUJAQV-HXUWFJFHSA-N 484.478 4.943 50 10 JJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1 1865708669 CDFFYBDKPNVHFD-QHCPKHFHSA-N 480.499 4.742 50 10 JJGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711453 YYNDJFUVXKTLOU-QHCPKHFHSA-N 494.979 4.781 50 10 JJGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714834 RERNCWNHFDQTEY-HSZRJFAPSA-N 468.513 4.529 50 10 JJGE C=Cc1ccccc1OCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867264766 MFGDRSNWORJNFX-QHCPKHFHSA-N 475.545 4.787 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@@]2(CCC[C@@H]2Br)C1 1918960545 FONCQRROWWJENG-WFASDCNBSA-N 466.011 4.991 50 10 JJGE CN(c1ncc(I)cc1Br)[C@H]1CCCC[C@@H]1Br 2015756941 MRPWQGWIKCLJBG-ONGXEEELSA-N 473.978 4.591 50 10 JJGE CCn1ncc(Br)c1[C@@H](Br)c1cc(Br)c(OC)s1 2034635375 LGOLTQAOEVSBEN-VIFPVBQESA-N 459.001 4.982 50 10 JJGE Cc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)cc1 2079240212 IENXEFOVLIZFPQ-UHFFFAOYSA-N 459.047 4.758 50 10 JJGE CC1CC(CCl)(N(C)C(=O)c2cc(I)ccc2Br)C1 2108307323 WBKYVPSBVKFWMF-UHFFFAOYSA-N 456.549 4.533 50 10 JJGE C[C@H](Br)CCCc1cn(-c2cc(I)ccc2Br)nn1 2132766457 YWTBDOAZYBVNQX-VIFPVBQESA-N 498.988 4.741 50 10 JJGE Cc1nc2c(cc1Br)nc(CCl)n2[C@@H]1CCOC[C@H]1OCc1ccccc1 2153125198 SBNSPXNBSXTNFS-QZTJIDSGSA-N 450.764 4.788 50 10 JJGE CN(Cc1ccc(Br)s1)S(=O)(=O)c1cc(CCl)sc1Br 2156994013 BMZCXWCHUZQQLF-UHFFFAOYSA-N 479.668 4.894 50 10 JJGE Cc1sc(CBr)cc1S(=O)(=O)N(C)Cc1csc(Br)c1 2179822002 QRDKLMMAIOQAMH-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)cc(F)c1C 2179858596 QNMWJQKYUMANFV-UHFFFAOYSA-N 458.393 4.645 50 10 JJGE C[C@@]1(CCl)CC(F)(F)CN1C(=O)c1ccc(Br)cc1I 2207269766 WKAIRFJGBLYSKR-LBPRGKRZSA-N 478.502 4.532 50 10 JJGE O=C(NC[C@]12CCC[C@@]1(CBr)C2)c1ccc(Br)cc1Br 2208039044 ILUMCHXWCCQLLM-LSDHHAIUSA-N 466.011 4.897 50 10 JJGE CC(C)(C)OC(=O)N1CCCCN(CCCCCI)CC(F)(F)C1 2214704708 IQGLJXLUNDXCGI-UHFFFAOYSA-N 460.347 4.560 50 10 JJGE COc1ccc([C@@H](Br)[C@H]2C[C@@H](Br)C2)cc1I 2243917193 PWLWXTKCCFKUGT-VDDIYKPWSA-N 459.947 4.909 50 10 JJGE C[C@@]1(CNC(=O)c2csc(Br)c2Br)CCC[C@@H]1Br 2258798521 JSCCLIAPBDGCHI-UFBFGSQYSA-N 460.029 4.957 50 10 JJGE C[C@H](Br)C1CCN(C(=O)c2ccc(Cl)c(I)c2)CC1 2268351702 XLRZVHCFDBXWQK-VIFPVBQESA-N 456.549 4.580 50 10 JJGE C[C@H](Br)CN(CCC(C)(C)C)C(=O)c1ccc(I)cc1 2288047832 JCWRWXRTSHCHTA-LBPRGKRZSA-N 452.174 4.953 50 10 JJGE C[C@@]1(CNC(=O)Cc2cc(Br)cc(Br)c2)CCC[C@H]1Br 2295315052 GXAKCNUDIHHAII-HIFRSBDPSA-N 468.027 4.824 50 10 JJGE O=C(NN=C1C(=O)N(CC=Cc2ccccc2)c2ccccc21)c1cc(F)c(F)cc1Cl 2313646616 HJWVGSXLTCYTHL-UHFFFAOYSA-N 451.860 4.812 50 10 JJGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)CCc2ccc(OCC)c(OC)c2)c(OCC)c1 2314790255 WVOHBDXWFDONPN-UHFFFAOYSA-N 467.518 4.501 50 10 JJGE COc1cc([C@@H](Br)c2cc(I)sn2)c(OC)cc1Cl 2338227760 RHRHPVZVOUNKGL-GFCCVEGCSA-N 474.545 4.903 50 10 JJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 13983239 VURGMUMWYJHRHT-HNNXBMFYSA-N 453.366 4.892 50 10 JJGE COc1ccccc1N[C@H](C)C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1 27528216 HUMWVRIJYCPJPW-CIRUFVMISA-N 482.378 4.987 50 10 JJGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccc(C)cc1 32519906 JFCBFFNDXHGZFD-VULFUBBASA-N 460.559 4.701 50 10 JJGE Cc1ccc(NC(=O)[C@@]23CC[C@@](C)([C@@H]2Br)C3(C)C)cc1S(=O)(=O)N1CCCCC1 33514171 SPGQYJXUWMIBKA-YUXAGFNASA-N 483.472 4.698 50 10 JJGE O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc2ccccc12 48572810 GRYDLFPLCCFORS-LQKURTRISA-N 471.900 4.801 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)cc1C 102859508 SPHITAWDFJQIOG-GJISQHIDSA-N 470.573 4.839 50 10 JJGE O=C(COc1ccc(F)cc1)NN=Cc1ccccc1OCc1cccc(Br)c1 252638074 XZDJUUIVEFVIRV-UHFFFAOYSA-N 457.299 4.696 50 10 JJGE O=C(Oc1ccc(C=NNC(=O)c2ccccc2O)c(OC(=O)c2ccccc2)c1)c1ccccc1 254398536 FGSOBCZFMHVXKN-UHFFFAOYSA-N 480.476 4.595 50 10 JJGE CC[C@@H](C[C@@H](C)Br)NS(=O)(=O)c1cc(Br)c(C)cc1Br 716933559 HGJTXEZPNGQLME-ZJUUUORDSA-N 492.071 4.750 50 10 JJGE CN(Cc1ccccc1)C1CCN(S(=O)(=O)c2cc(CCl)sc2Br)CC1 717636118 CABRCHZMRSURMF-UHFFFAOYSA-N 477.877 4.535 50 10 JJGE CC1(C)C[C@@H](Br)C[C@H](NC(=O)c2cccc(F)c2I)C1 721695642 AMJFSEUAHBZNGV-UWVGGRQHSA-N 454.121 4.502 50 10 JJGE C[C@]1(CBr)CCCCN1C(=O)c1cc(Br)cc(Br)c1 723012325 OYLMDIOOLBMFSN-CQSZACIVSA-N 454.000 4.991 50 10 JJGE CCCOc1ccc(C=NNC(=O)[C@H](C)Oc2ccc(Br)cc2)c(OCCC)c1 1083886522 VZTLTBNVALRPPT-INIZCTEOSA-N 463.372 4.944 50 10 JJGE C=CCc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OC 1083973869 OLGJTRTWLODIJY-XDHOZWIPSA-N 464.363 4.933 50 10 JJGE COc1ccc(OCCCC(=O)Nc2cc(C(=O)Nc3ccc(SC#N)cc3)ccn2)cc1 1860512395 KWILSXXZPHFRAM-UHFFFAOYSA-N 462.531 4.713 50 10 JJGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865697268 YUXLALYJYRTVEZ-IBGZPJMESA-N 485.769 4.833 50 10 JJGE COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2I)cc1 1866126632 DKZCWLDQYQODRD-XYOKQWHBSA-N 483.103 4.608 50 10 JJGE N#C/C(=C(/O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2cccs2)cs1 1872750436 IUKUMHZHIJITKO-SQFISAMPSA-N 472.345 4.723 50 10 JJGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@@H]1C[C@@H]1Br 1877420552 ZCECJQJKFICQIQ-GMWOSMDTSA-N 485.422 4.792 50 10 JJGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)CBr)sc1Br 1914352800 JURWMCVKWDQWFT-GFCCVEGCSA-N 467.248 4.793 50 10 JJGE O=C(NC[C@H](Br)CC(F)(F)F)c1csc(Br)c1Br 2055497380 NJFKRWCIJDNBSB-SCSAIBSYSA-N 473.934 4.719 50 10 JJGE BrC[C@@]12CCC[C@@H](CN(c3ncc(Br)cc3Br)C1)C2 2134969516 IOEBRDGQOCWGFJ-YGRLFVJLSA-N 453.016 4.998 50 10 JJGE O=S(=O)(c1cc(Cl)cc(CBr)c1F)N(Cc1ccccc1)C[C@@H]1CCCO1 2179863233 IWGGZCQGSXEBSE-KRWDZBQOSA-N 476.795 4.744 50 10 JJGE Brc1ccccc1[C@H](CI)OC[C@@H]1CC12CCOCC2 2198366685 NQMWOWWUFOCCFP-WFASDCNBSA-N 451.142 4.759 50 10 JJGE O=S1(=O)CCCC[C@@H]1[C@H](Br)c1c(Br)cc(F)c(Cl)c1F 2201619263 PGHMCOPYNNGVMF-SCZZXKLOSA-N 452.542 4.784 50 10 JJGE O=C(c1csc(I)c1)N1[C@H](CBr)C[C@H]2CCCC[C@@H]21 2232023742 BSMSMIMXBQTYTI-USWWRNFRSA-N 454.171 4.521 50 10 JJGE CCn1cc(Br)c([C@@H](Br)c2ccc(OC)c(I)c2)n1 2269533093 CRPUPDQHHARMBG-LBPRGKRZSA-N 499.972 4.763 50 10 JJGE N#CC(C(N)=O)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 2293039281 XHMMGUGEXPRMTN-MRXNPFEDSA-N 452.750 4.558 50 10 JJGE COC(=O)c1cc(OC)c(OC)cc1NC=C(C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1 2295945907 SNYDPWKOIGUNBX-UHFFFAOYSA-N 481.530 4.608 50 10 JJGE CN1C(=C(C#N)C(=O)c2ccc(C(=O)C(C#N)=C3Nc4ccccc4N3C)s2)Nc2ccccc21 2297477229 ABUCDAXTDNYZBJ-UHFFFAOYSA-N 478.537 4.708 50 10 JJGE C[C@@H]1C[C@H](Br)CCN1Cc1ccc(I)c(Br)c1 2306223503 GMVVBSJUGYLNRA-MWLCHTKSSA-N 472.990 4.802 50 10 JJGE Cc1noc(NS(=O)(=O)c2ccc(NC(=O)C(C#N)=Cc3ccc(C(C)C)cc3)cc2)c1C 2314730579 HLBHCOLWZHTYQW-UHFFFAOYSA-N 464.547 4.761 50 10 JJGE Cc1cc(Br)c(F)c(C(=O)N[C@@H](CCBr)COCc2ccccc2)c1 2320355138 UFJKSKHKZLFGLV-HNNXBMFYSA-N 473.180 4.997 50 10 JJGE CCOC(=O)c1c(C)nn(-c2cccc(F)c2)c1NC(=O)C(C#N)=Cc1cccc(Br)c1 2329699677 ZBHZHUCNTSKJSV-UHFFFAOYSA-N 497.324 4.805 50 10 JJGE C[C@@H]1[C@@H](Cl)CCN(C(=O)c2cc(I)ccc2Br)[C@H]1C 2344518916 BLWPTUJUVASFQD-RVBZMBCESA-N 456.549 4.532 50 10 JJGE Fc1cc(CBr)c(N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1Cl 2362411555 HKKMDOREHUAPDQ-SFTDATJTSA-N 453.783 4.854 50 10 JJGE COc1cc(CCl)c(OCc2ccc(I)c(Br)c2)cn1 2377625347 RHWQZNUTRGEGRS-UHFFFAOYSA-N 468.516 4.775 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)cc1 38685889 RIUDGSJDUSTKLL-RUZDIDTESA-N 456.498 4.921 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40658468 TWDSKTBKJDIMAT-UHFFFAOYSA-N 487.432 4.586 50 10 JJGE COc1ccc(Cc2nc3cc(C(=O)N/N=C\c4ccccc4C(F)(F)F)ccc3[nH]2)cc1 169925515 SSWRQUYXJMEWGI-MUXKCCDJSA-N 452.436 4.945 50 10 JJGE C[C@@H](Br)[C@@](Br)(CBr)C(=O)Oc1ccc(Br)cc1 205782620 XHWPRPYWUQDXEP-HQJQHLMTSA-N 493.815 4.667 50 10 JJGE O=S(=O)(NC[C@H]1CC[C@H](Br)C1)c1c(Cl)cc(Br)cc1Cl 227792872 COPHQWMXXVDOMS-YUMQZZPRSA-N 466.022 4.598 50 10 JJGE CCOc1cc(C=NNC(=O)COc2cccc3ccccc23)ccc1OC(=O)c1ccccc1 254702288 WMNYSJRHIPZXJM-UHFFFAOYSA-N 468.509 4.987 50 10 JJGE C[C@H](Br)C[C@@H]1CCCCCN1C(=O)c1csc(I)c1 311349085 LFSVCPQVPYWWDP-JQWIXIFHSA-N 456.187 4.911 50 10 JJGE O=C1Cc2cc([C@H](Br)c3nscc3Br)c(Br)cc2N1 404756167 BJIFJNJWEDKDPB-NSHDSACASA-N 466.980 4.647 50 10 JJGE Fc1ccc2nc(CCl)n(C[C@H]3CN(Cc4ccccc4)CCO3)c2c1Br 689796094 UZGKHCPRYDTMHX-OAHLLOKOSA-N 452.755 4.578 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)c(-c2ccccc2)n1 726783591 CATMEXPLWXYQDF-KGENOOAVSA-N 474.528 4.672 50 10 JJGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)c3ccc(I)c(O)c3)c2C)c1 1084031594 JXZVPZXAADYTAN-UHFFFAOYSA-N 487.341 4.785 50 10 JJGE CC(=O)N(c1nc(/C=C\C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cs1)c1ccccc1F 1087620989 NHERPCSSFMCUGS-SREVYHEPSA-N 496.608 4.734 50 10 JJGE O=C(NCc1ccccc1-c1ccc(Cl)cc1)NNC(=O)c1ccc(Br)cc1 1251518968 GMPZSMQBMXSSHC-UHFFFAOYSA-N 458.743 4.914 50 10 JJGE C/C(=C/C(=O)NNC(=S)Nc1cccc(Br)c1)c1ccccc1C(F)(F)F 1623472047 ZTZJKDNUXSVWQD-LUAWRHEFSA-N 458.303 4.889 50 10 JJGE COc1ccccc1CCCN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(C)n2)CC1 1868481098 ZPOIXQGKIDOYEX-UHFFFAOYSA-N 474.634 4.865 50 10 JJGE COc1cc(-c2csc(/C(C#N)=C(\O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)c(OC)cc1Cl 1872754722 GCFXNUCEFCQHPM-SOFNNGJSSA-N 495.944 4.958 50 10 JJGE COc1cccc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1OCc1cccc(C)c1 1873795389 GJBIJPJGMQWTPC-QYJQOTDOSA-N 469.582 4.582 50 10 JJGE O=C(NCC[C@@H]1CCC[C@H]1Br)c1cc(Br)ccc1Br 1913719908 ACNQERDURQOGOE-JOYOIKCWSA-N 454.000 4.895 50 10 JJGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(F)cc1I 1914612865 MQMWZJMYCYQWIU-GFCCVEGCSA-N 476.127 4.856 50 10 JJGE CCC[C@](C)(CBr)NC(=O)c1cc(Br)ccc1I 2029942909 AMODLZVAMSJLGP-CYBMUJFWSA-N 488.989 4.737 50 10 JJGE CN1C(=CC=NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)C(C)(C)c2ccccc21 2040452302 YRQBGYUIMJSJHH-UHFFFAOYSA-N 480.615 4.576 50 10 JJGE O=C(N[C@H](CCl)c1ccsc1)c1cc(I)ccc1Br 2119038963 LKSBTWVGMYSKFC-GFCCVEGCSA-N 470.557 4.825 50 10 JJGE Cc1cc(C)c(S(=O)(=O)N(Cc2ccccc2)CC(F)(F)F)cc1CBr 2123271457 RRCFGOLOQZCEOV-UHFFFAOYSA-N 450.320 4.952 50 10 JJGE Brc1ccccc1[C@@H](CI)OCCCN1CCCCC1 2175869802 IIRFCFYTONZLBM-MRXNPFEDSA-N 452.174 4.818 50 10 JJGE Cc1ccc(C(=O)N[C@H](CBr)c2cccs2)cc1I 2224625185 FCWZUNYYSCKQLZ-GFCCVEGCSA-N 450.139 4.527 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](Cl)CC12CCCC2 2241026959 PXAXKMHHMLWKCL-NSHDSACASA-N 468.560 4.820 50 10 JJGE O=C(N[C@]1(CBr)C[C@H]2CC[C@H]1C2)c1c(Br)cccc1Br 2283921177 SNHIKQGVWCXKTJ-YHAQOWFVSA-N 466.011 4.895 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1CCCC[C@@H]1CBr 2295307895 QHVUMDSPJXCEKK-RISCZKNCSA-N 468.027 4.824 50 10 JJGE CCN(CC)c1ccc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1 2295482964 JCDGCJYURQEPEU-UHFFFAOYSA-N 483.616 4.520 50 10 JJGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cn(C)c3ccccc23)cc1 2297321528 RZSOJGHLCNESNU-UHFFFAOYSA-N 493.611 4.946 50 10 JJGE Cc1nn(-c2ccccc2)c(C)c1C=C(C#N)C(=O)OCC(=O)Nc1ccc2ccccc2c1 2297364048 MAFVAMCUBPWDFO-UHFFFAOYSA-N 450.498 4.731 50 10 JJGE CC(=NNC(=O)C(=CC=Cc1ccccc1)NC(=O)c1ccccc1)c1cc([N+](=O)[O-])cs1 2297450914 NHNCEWLUEJYHLQ-UHFFFAOYSA-N 460.515 4.524 50 10 JJGE BrC[C@H]1C[C@H]2CC[C@H]1N2Cc1ccc(I)c(Br)c1 2325225899 KBIMHLAYZBNDSE-JTNHKYCSSA-N 485.001 4.802 50 10 JJGE FC(F)(F)[C@H]1C[C@@]1(CCl)CNCc1ccc(I)c(Br)c1 2377314472 GNHIXSPZXPKOSL-NWDGAFQWSA-N 482.509 4.951 50 10 JJGE O=C(COc1ccc2ccccc2c1)NNC(=O)COc1c(Cl)cc(Cl)cc1Br 9779671 VUVYFHSDZCFTMK-UHFFFAOYSA-N 498.160 4.514 50 10 JJGE O=C(CCC(=O)N/N=C/c1c(Cl)cccc1Cl)N/N=C/c1c(Cl)cccc1Cl 12575136 UFCOVVYIOQYIDN-WDBPGAOMSA-N 460.148 4.681 50 10 JJGE COc1ccc(/C=N/NC(=O)COc2ccccc2)cc1COc1ccc(C(=O)OCC(C)C)cc1 20615882 GKQXOSGXPKLDQI-MUFRIFMGSA-N 490.556 4.616 50 10 JJGE C/C(N)=C(/C#N)C(=O)CSC1=N/C(=C\c2ccc(C(C)C)cc2)C(=O)N1c1ccc(C)cc1 21540745 SSJXGNRWJVKUAZ-HFUTZNNESA-N 458.587 4.921 50 10 JJGE C[C@@H](C(=O)Oc1cccc(/C=C(/C#N)c2ccc(Cl)cc2)c1)N1C(=O)c2ccccc2C1=O 31903060 XXSZQMHRPKFFFG-UEIJICEPSA-N 456.885 4.994 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1cc2ccccc2o1 33849962 UISNDOFCTBQRGQ-BKUYFWCQSA-N 452.466 4.884 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)nc1 40811825 AGQBPYGBBADGIJ-WPWMEQJKSA-N 481.350 4.777 50 10 JJGE CCOc1c(Br)cc(/C=C/C(=O)Oc2cccc(/C=C(\C#N)C(=O)OC)c2)cc1OC 40935821 YIXTYHYUWYLRAR-GEALHNJRSA-N 486.318 4.555 50 10 JJGE CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OC 59484091 HOHXCXQRPPSPAI-XNTDXEJSSA-N 462.287 4.634 50 10 JJGE O=S(=O)(NC[C@@H]1CCC[C@H]1CBr)c1c(Cl)cc(Br)cc1Cl 136720989 IOCSKOGQYISMQU-IUCAKERBSA-N 480.049 4.845 50 10 JJGE CCSc1ccc(Cl)cc1CC(=O)N/N=C\c1ccc(OC)c(O)c1Br 169922300 KISSNELWJUGHBY-FBHDLOMBSA-N 457.777 4.622 50 10 JJGE O=C(N[C@H]1CCCC[C@@H]1CBr)c1cc(Br)c(Br)s1 231612112 FOVUOMQAWALYEU-APPZFPTMSA-N 460.029 4.957 50 10 JJGE Cc1ccccc1-n1c(SCC(=O)NN=C/C=C\c2ccccc2)nc2ccccc2c1=O 254413564 UUCMMQKRQPZCSP-ZXEOMTBASA-N 454.555 4.602 50 10 JJGE CCC(=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccc(O)cc1 254504855 GLNJBKINXBRMOU-UHFFFAOYSA-N 471.586 4.971 50 10 JJGE CC(C)(Cc1ccc(O)cc1)NC(=O)CC(=O)NN=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 254866804 SZRZUAITBANRQU-UHFFFAOYSA-N 481.637 4.671 50 10 JJGE C[C@@H](Br)C[C@H]1CCCCCN1C(=O)c1cccc(I)c1 312949060 KFHCOUQCLTUISG-IUODEOHRSA-N 450.158 4.850 50 10 JJGE Cc1ccccc1OCc1nnc(SCC(=O)NNc2ccc(F)c(F)c2F)n1-c1ccccc1 728718294 GGVPOAGQPUYOFZ-UHFFFAOYSA-N 499.518 4.807 50 10 JJGE C[C@@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)c1nc(O)c2ccccc2n1 782093888 BDIKKGCRZVUKQV-APVMCDBPSA-N 498.930 4.977 50 10 JJGE C[C@@H]1CCCCN1CCCCNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 920471314 CWIUVXOKGBMIIO-LCMCWVSWSA-N 479.028 4.795 50 10 JJGE CC(=O)c1c(C)cc(NC(=O)NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1C 1467216784 GAJMVMYUKOXQOZ-UHFFFAOYSA-N 453.502 4.583 50 10 JJGE CCOc1ccc(/C=C/C(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1OC 1860822937 QBOVJOAJQGJLJB-OAOMKURUSA-N 489.959 4.828 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)ccc1O 1865681477 OFOGTEDVNNHQPR-XMMPIXPASA-N 452.514 4.910 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1OC 1865696166 XVXXNMIYFVRNNN-JOCHJYFZSA-N 450.926 4.519 50 10 JJGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 1865709529 XNBQCAZGIUNQIH-OAQYLSRUSA-N 462.937 4.542 50 10 JJGE COCCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc3ccccc3c2)cc1 1866214160 UXKQUVSDNNPCSE-OXIKZWMZSA-N 485.584 4.942 50 10 JJGE BrC[C@]1(Cc2ccc(I)c(Br)c2)CCCO1 1904344773 YOOIZVXNSCOIMB-GFCCVEGCSA-N 459.947 4.540 50 10 JJGE O=S(=O)(c1cccc(Br)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915170613 TXLLCUNLDUEGQL-SFHVURJKSA-N 473.230 4.814 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@]2(CCC[C@H]2Br)C1 1918940893 SDASBTRCKKVMJO-UKRRQHHQSA-N 466.011 4.991 50 10 JJGE O=S1(=O)CC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923072758 RLFZYVYYWSCIKB-NQXXGFSBSA-N 473.433 4.550 50 10 JJGE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)NC[C@H]2C[C@@H](Br)C2)c1 2020191584 ZPZDQFPZJMNGMN-KLPPZKSPSA-N 462.182 4.699 50 10 JJGE CC1(C)[C@@H](NC(=O)c2csc(Br)c2Br)CC[C@H]1Br 2086026635 SCZGKDGXXQZMSA-SFYZADRCSA-N 460.029 4.955 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2CCC[C@@]2(CBr)C1 2103173955 XVANOAYZWCEDOL-ISVAXAHUSA-N 472.040 4.910 50 10 JJGE CN([C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1csc(CBr)c1 2123237920 RVQISYISVHRYRT-QZTJIDSGSA-N 458.443 4.647 50 10 JJGE CC(C)CN1C[C@@H](Br)[C@H](Cc2ccc(I)c(Cl)c2)C1 2142936563 JSBMMJYVKBWVGN-CHWSQXEVSA-N 456.593 4.838 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@@H]2C[C@@H](Br)CC[C@H]21 2148752621 OXWKIUIKEFHXLF-GBIKHYSHSA-N 466.011 4.990 50 10 JJGE CC1(C)CCC[C@@]1(CCl)NC(=O)c1cc(Br)ccc1I 2150540919 DNNVIKREOBOTNY-HNNXBMFYSA-N 470.576 4.971 50 10 JJGE O=S(=O)(N(Cc1ccccc1)CC1CCCCC1)N1CCC[C@H](CCBr)C1 2179951825 CSIUINMFRYYZPH-OAQYLSRUSA-N 457.478 4.811 50 10 JJGE O=S(=O)(Nc1ccccc1CCBr)c1cc(Cl)c(Br)s1 2238845477 PGASTGFFDLKKOR-UHFFFAOYSA-N 459.612 4.902 50 10 JJGE C[C@@]1(CNC(=O)c2cc(Br)ccc2Br)CCC[C@@H]1Br 2271297523 BHNALXMMYFEAIY-JSGCOSHPSA-N 454.000 4.895 50 10 JJGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2293039236 RHWCXSZLXFENSY-DEOSSOPVSA-N 453.567 4.738 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CCC[C@@H](CCBr)C1 2295308632 ZOOHQMCZQMZVOU-NSHDSACASA-N 468.027 4.778 50 10 JJGE CO[C@H]1C[C@@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C[C@H]1OC 2295329722 LZUBKMWKTPYOCN-HPEDKQMDSA-N 471.027 4.958 50 10 JJGE BrC[C@@H]1CCCCN1Cc1ccc(I)c(Br)c1 2306217667 RXVRGZKFTWYOEL-NSHDSACASA-N 472.990 4.803 50 10 JJGE COc1cccc(C=CC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)c1 2321143276 YVKFQLWIYYKCFH-UHFFFAOYSA-N 456.329 4.847 50 10 JJGE CCCCCOc1ccc(C=NNC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cc1 2323652511 VOINKLVNGFSGAU-UHFFFAOYSA-N 451.954 4.883 50 10 JJGE CC(C)[C@@H]1C[C@@H](Cl)CN1C(=O)c1ccc(Br)cc1I 2344590553 DNWWDFINZWEBDK-MFKMUULPSA-N 456.549 4.532 50 10 JJGE C=CC[C@@H](Br)[C@H]1CCN1c1ncc(C(F)(F)F)cc1I 2360981579 PZDAAEVAWCVYNX-MWLCHTKSSA-N 461.063 4.623 50 10 JJGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 9231653 WJUKQQQXYYHPTD-INIZCTEOSA-N 485.378 4.719 50 10 JJGE Cc1c(C(=O)NCc2ccccn2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815429 FLDYWGUCBXIMGD-IWBSIUBASA-N 492.579 4.902 50 10 JJGE CCN(CC)c1ccc(/C=C2/CCC(C=NNC(=O)NC3CCCCC3)=C2N2CCOCC2)cc1 245264370 CYLQYVAJQKKGMX-KRSIDEDOSA-N 479.669 4.914 50 10 JJGE O=C(NN=Cc1cc(Br)ccc1OCc1ccc(F)cc1Cl)c1cc(O)cc(O)c1 254494847 PMEVPORRIQWWAJ-UHFFFAOYSA-N 493.716 4.996 50 10 JJGE CCOc1ccc([C@@H](Br)c2cnn(C)c2I)cc1Br 379209661 MHPIOUZVLCRPMF-GFCCVEGCSA-N 499.972 4.670 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CCCC[C@@H](CBr)C1 696786887 SYSSMURFPNQEGD-JTQLQIEISA-N 456.549 4.582 50 10 JJGE CC(C)[C@@H]1CN(S(=O)(=O)c2cc(CCl)sc2Br)CCN1Cc1ccccc1 707657267 MDWHYHMELANOJB-KRWDZBQOSA-N 491.904 4.781 50 10 JJGE CC(=NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)[C@@H]1C[C@@H]1c1ccccc1Cl 920361946 DORVSMZJUMFULV-XZOQPEGZSA-N 482.005 4.728 50 10 JJGE COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1 1858688232 VVURRQFLCFYJIF-ZDUSSCGKSA-N 486.868 4.669 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1O 1865682278 KZQXDJMDSKZXML-HSZRJFAPSA-N 450.498 4.780 50 10 JJGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 1865708759 FMJUYSMIWAJQLL-XMMPIXPASA-N 464.525 4.983 50 10 JJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1 1865709113 OBZSXFDSPLKTSK-QHCPKHFHSA-N 478.508 4.553 50 10 JJGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714008 AVHBHQRACBEKMP-DEOSSOPVSA-N 482.540 4.919 50 10 JJGE Clc1ccc([C@H]2CCC[C@@H](CI)O2)c(I)c1 1903699688 OSJWCLMKVFBVAL-JOYOIKCWSA-N 462.496 4.990 50 10 JJGE CCOC[C@@H](Br)CCc1ccc(I)c(Br)c1 1904344187 RADNPLMCCZEGMN-JTQLQIEISA-N 461.963 4.786 50 10 JJGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)C1CC(OCc2ccccc2)C1 1955612876 IJIQZCYTCYRYJG-HWELCPFYSA-N 466.441 4.740 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]2CCCC[C@H]12 2010825134 GLOSIKBECNTHOX-KURKYZTESA-N 475.721 4.660 50 10 JJGE O=C(Nc1cc(I)ccc1Br)[C@@H](Br)C1CCCC1 2048138855 DVMPPUQDLMTPEX-LBPRGKRZSA-N 486.973 4.946 50 10 JJGE CC[C@H](C)[C@@H](CBr)NC(=O)c1cc(I)ccc1Br 2081238748 JFCLACMXWGDMMQ-QPUJVOFHSA-N 488.989 4.593 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC2(CC2)C[C@H]1CBr 2099156053 ZUNISMOPYTXWFF-JTQLQIEISA-N 451.984 4.601 50 10 JJGE C[C@]1(CBr)CC(F)(F)CN1C(=O)c1cc(Br)sc1Br 2102795569 STDNPZLWBHMIKM-SNVBAGLBSA-N 481.982 4.908 50 10 JJGE O=C(c1scc(Br)c1Br)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Br)C2 2134112360 LYEXFLJMZMRYIC-NVGOVIIQSA-N 476.003 4.752 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@@H](Br)C(F)(F)CC1 2150018301 IBZGRPKCSRXWIJ-LLVKDONJSA-N 478.502 4.579 50 10 JJGE Cc1csc(CBr)c1S(=O)(=O)N(C)Cc1sccc1Br 2179819979 SDHNXOZYJKVGPG-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE CCCN(CCCCCI)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2214705006 MBLZYFCGTBLJQA-KRWDZBQOSA-N 452.421 4.951 50 10 JJGE O=C(c1sccc1I)N1C[C@H](Br)C[C@H]2CCCC[C@@H]21 2264832521 UYEMAYBBZZIYPZ-FOGDFJRCSA-N 454.171 4.521 50 10 JJGE CCn1cc([C@H](Br)c2ccc(OC)c(I)c2)nc1Br 2269556511 PJVPCNJGGUZWTD-GFCCVEGCSA-N 499.972 4.763 50 10 JJGE C[C@@H](CCBr)CCNCc1ccc(I)c(Br)c1 2306221844 MQUGDULQNCHMRT-JTQLQIEISA-N 475.006 4.955 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H]2CC[C@H](Br)[C@H]2C1 2308265860 HZRNEGQLGWCIMS-FJXKBIBVSA-N 458.013 4.519 50 10 JJGE COc1cc(C=C(C#N)C(=O)Nc2ccc3ccccc3c2)ccc1OCC(=O)Nc1nccs1 2314487162 DBMSZRXVMKIXRI-UHFFFAOYSA-N 484.537 4.868 50 10 JJGE CC(C)(CI)CN1C[C@H](C(C)(C)C)C[C@H](CNC(=O)OC(C)(C)C)C1 2326670823 YKKJZDJWHCNGGK-HZPDHXFCSA-N 466.448 4.957 50 10 JJGE FC(F)(F)[C@H]1C[C@H](Cl)CCN1c1ncc(I)cc1Br 2336386589 FVERUCNVVVYPPM-HZGVNTEJSA-N 469.470 4.587 50 10 JJGE CC[C@]1(C)[C@@H](Br)CCN1C(=O)c1cc(Cl)ccc1I 2336763275 ZCPIWFCREVVSDG-GXTWGEPZSA-N 456.549 4.723 50 10 JJGE COc1cc(F)c(Br)cc1[C@@H](Br)c1c(Br)nc(C)n1C 2362483974 WLXFKLVSRUEZAE-LLVKDONJSA-N 470.962 4.886 50 10 JJGE O=C(c1cccc(N2C(=O)CCC2=O)c1)N(/N=C/c1ccccc1)c1nc2ccc(F)cc2s1 9148737 MPKSKYGAALVCEZ-JFLMPSFJSA-N 472.501 4.770 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(F)cc1 11458985 FVPOKTZXMQVDPG-LDADJPATSA-N 451.885 4.976 50 10 JJGE CC(C)CCOc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 14021774 FTFMMXMSXXVWEU-UHFFFAOYSA-N 485.378 4.867 50 10 JJGE CC(C)CCOc1ccc(C(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 14040946 LFFFIENXKPAWAB-UHFFFAOYSA-N 462.546 4.644 50 10 JJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)C)cc2)c(Br)c1 14832199 CHZVZDIXAYNUBL-INIZCTEOSA-N 477.399 4.691 50 10 JJGE COc1cc(/C=C(/C#N)c2nc(O)c3ccc(C)cc3n2)ccc1OCC(=O)Nc1ccccc1 35519955 QAXSLOLTTJOANM-UYRXBGFRSA-N 466.497 4.734 50 10 JJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1OC 38681225 IQALUNICBUAVCW-RUZDIDTESA-N 499.479 4.606 50 10 JJGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1 38682147 XRTJJMYEDMNNNV-XMMPIXPASA-N 462.502 4.750 50 10 JJGE Cc1c(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c2ccccc2n1Cc1ccc(Br)cc1 59396285 WVIYOHXYAFHREK-UBXANZILSA-N 478.390 4.963 50 10 JJGE CCCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(CCC)C(=O)CCl)cc1OC 97914990 KVRCWMGJVDFJCI-QHCPKHFHSA-N 453.023 4.842 50 10 JJGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 101234425 PSWMZPAVHAMSFQ-QCUKBLKESA-N 470.407 4.879 50 10 JJGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCc2ccccc2)c(C)c1 102851270 PRBOFSFEKKMWCP-JCMHNJIXSA-N 464.525 4.635 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2C[C@H](Br)CC[C@H]2C1 398729166 KMVSEAWMTASWQZ-HBNTYKKESA-N 466.011 4.847 50 10 JJGE BrCc1ccc(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)cc1Br 404199874 QRKGSPRNXSFRFM-NHCUHLMSSA-N 480.244 4.824 50 10 JJGE C[C@@H]1C[C@@H](CBr)CN(c2ncc(C(F)(F)F)cc2I)C1 686109244 RMRAODOFUHBWIW-BDAKNGLRSA-N 463.079 4.562 50 10 JJGE CS(=O)(=O)CCCCC(CBr)(CBr)c1ccccc1Br 706373368 OAOKYXQQAWBGHJ-UHFFFAOYSA-N 491.083 4.692 50 10 JJGE C[C@H](Cl)[C@H]1CCCN(C(=O)c2ccc(I)c(Br)c2)C1 721505467 AZMZLAJZVHOIGO-ONGXEEELSA-N 456.549 4.533 50 10 JJGE O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NN=Cc1cccc(Cl)c1Cl 725325556 UPPSBLVGQMVXBV-UHFFFAOYSA-N 483.380 4.935 50 10 JJGE CC(CCc1ccccc1)=NNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 1084056433 DXWTYWQZEZBHBR-UHFFFAOYSA-N 463.603 4.624 50 10 JJGE C=CCOc1ccc(NC(=O)C(=O)NN=Cc2cc(Br)ccc2Nc2ccccc2)cc1 1084387988 QTFBIFWATDQYSK-UHFFFAOYSA-N 493.361 4.846 50 10 JJGE COc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 1084555190 KQNINMOMYOWUKP-UHFFFAOYSA-N 472.328 4.670 50 10 JJGE O=C(NCc1ccccc1Sc1ccccc1)NNC(=O)c1ccc(Br)cc1 1318380893 LGHFVBPBNKHDBW-UHFFFAOYSA-N 456.365 4.745 50 10 JJGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)N3CCCc4ccccc43)c(C)c21 1772746635 YPSPZIQYBWEHJP-UHFFFAOYSA-N 457.530 4.660 50 10 JJGE CCCCC(=O)OCC(=O)[C@H]1[C@@H](C)C[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 1848440160 ZTKAYRJDNRCEEN-GEJRUGIESA-N 495.031 4.739 50 10 JJGE CCc1nn(CC(C)C)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698494 VKCWJCUIXJRPNZ-IBGZPJMESA-N 489.414 4.878 50 10 JJGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706020 LUVODDDOHXETCN-IBGZPJMESA-N 470.316 4.927 50 10 JJGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865710877 KKOBJIXBBDTDTI-QHCPKHFHSA-N 494.979 4.781 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)c1 1865711650 DQRMZRNRCBCSFJ-INIZCTEOSA-N 491.267 4.880 50 10 JJGE C/C(=N\NC(=O)c1ccc(-c2ccc(Cl)cc2)nc1C)c1ccc2c(c1)N(C)C(=O)[C@H](C)O2 1865762859 HEIIWOKUWHLBRN-WBBAFLOHSA-N 462.937 4.608 50 10 JJGE COc1cccc([C@@H](C)CC(=O)N[C@@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)c1 1867111078 MOSZRSVAIOHPBX-KKSFZXQISA-N 457.621 4.639 50 10 JJGE COc1ccc([C@H](CC(=O)NCC(=O)Nc2ccc(SC#N)cc2)c2ccc(F)cc2)cc1OC 1868165306 HMEDMJZEKQIRCK-JOCHJYFZSA-N 493.560 4.693 50 10 JJGE O=S(=O)(c1cc(CBr)oc1Br)N(Cc1ccccc1)C1CCC1 1984649795 QPCBNMMWCADXEE-UHFFFAOYSA-N 463.191 4.680 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2010827562 SQFIFZXBUQQTDZ-KZNAEPCWSA-N 475.721 4.518 50 10 JJGE BrCC[C@H]1CSCCN1Cc1ccc(Br)cc1Br 2031403711 SNIANNOSSUUIRS-LBPRGKRZSA-N 458.057 4.914 50 10 JJGE O=S1(=O)CCCC[C@H]1[C@@H](Br)c1ccc(Br)cc1Br 2083339253 QDDBVZXUIANANE-RYUDHWBXSA-N 461.013 4.615 50 10 JJGE CSCC[C@@H](Br)CCNC(=O)c1c(Br)cccc1Br 2094097589 DKJDCMJCZOWJDR-VIFPVBQESA-N 474.056 4.848 50 10 JJGE CCOCCOCCC(CBr)(CBr)c1cccc(Br)c1 2143826754 YDBUWQGFWWCXJR-UHFFFAOYSA-N 473.043 4.920 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CCC2(CC1)C[C@@H]2CCl 2148892947 CJAMFECBKKKUQH-SNVBAGLBSA-N 468.560 4.535 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 2150961592 MOCNKZYJLZITPD-ZMLRMANQSA-N 466.011 4.847 50 10 JJGE FC(F)(F)c1cnc(N2CC[C@@H](Br)CC23CC3)c(I)c1 2169894464 SHYKIBONEKWALH-SECBINFHSA-N 461.063 4.601 50 10 JJGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2cc(Cl)sc2Cl)C1 2195407123 ILGAHQGOFKKOSG-SECBINFHSA-N 485.090 4.808 50 10 JJGE CC(C)[C@@H](Br)c1cn(-c2ccc(Br)cc2I)nn1 2223529196 KCJPCKBRKASWEB-GFCCVEGCSA-N 484.961 4.726 50 10 JJGE C[C@@H](CCBr)CCNC(=O)Cc1cc(Br)cc(Br)c1 2277935143 DVGBLXOVXBNDHY-JTQLQIEISA-N 456.016 4.682 50 10 JJGE C[C@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@H](C)C1Br 2295317737 QQXOPPZKKQACMT-UWVGGRQHSA-N 468.027 4.632 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCC(=O)Nc1ccccc1 2297334498 IPMLVLALJSWMRR-CVDCTZTESA-N 461.562 4.705 50 10 JJGE CC1(C)[C@@H](Br)CCN1Cc1ccc(I)c(Br)c1 2306219520 NDIZVDKNEHIJAE-LBPRGKRZSA-N 472.990 4.802 50 10 JJGE COc1ccc(C=C(C#N)C(=O)N(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 2314777485 HEXBVDVFHCPPLS-UHFFFAOYSA-N 460.555 4.950 50 10 JJGE COc1cc(C=C(C#N)c2cccc(Cl)c2)ccc1OC(=O)CN1C(=O)c2ccccc2C1=O 2320507134 ZJLVZGVFFPPHAT-UHFFFAOYSA-N 472.884 4.614 50 10 JJGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)C=Cc1cccc(OC(C)C)c1 2321153362 ZYVSHFDFEOEPRQ-UHFFFAOYSA-N 451.473 4.597 50 10 JJGE CC(C)(C)c1cc(C=NNC(=O)c2cc(-c3cccs3)nc(O)n2)cc(C(C)(C)C)c1O 2323700910 RTLBTZGWSOHMPK-UHFFFAOYSA-N 452.580 4.975 50 10 JJGE COc1ccc(-c2csc(CCNC(=O)C(C#N)=Cc3cccc(Br)c3)n2)cc1 2329698857 VUDDVHHCUKAXMH-UHFFFAOYSA-N 468.376 4.847 50 10 JJGE FC(F)(CI)C(F)(F)CNCc1ccc(Cl)c(Br)c1 2336533718 HLADZNQHEVKINM-UHFFFAOYSA-N 474.461 4.898 50 10 JJGE CC(C)(CI)CN1C[C@H](c2ccccc2)[C@H](CNC(=O)OC(C)(C)C)C1 2351617315 DBWRCMRKHJISKF-QZTJIDSGSA-N 472.411 4.688 50 10 JJGE O=C(N[C@@H](CBr)[C@@H]1CC=CCC1)c1ccc(Cl)cc1I 2365585508 BQRSEWOZEWYLKG-YGRLFVJLSA-N 468.560 4.794 50 10 JJGE COc1ccccc1/C(C#N)=C\c1cccc(OC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 31902703 XIGGNFLSJRLMIV-XLNRJJMWSA-N 488.565 4.763 50 10 JJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1 38658083 OTAYPZDVDGHFKX-DEOSSOPVSA-N 469.453 4.597 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 38688314 RVLCKTCTVPSXDS-DHIUTWEWSA-N 495.318 4.957 50 10 JJGE CCCCc1ccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2N)cc1 40680206 SCLHLASWPGLRFY-UHFFFAOYSA-N 475.380 4.974 50 10 JJGE Cc1c(C(=O)N(C)c2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813456 HLEMQQZTUGCEQF-NLRVBDNBSA-N 480.908 4.897 50 10 JJGE COc1c(C)cccc1C(=O)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 59167485 MKWOWKCDJCDBCX-MEFGMAGPSA-N 496.336 4.586 50 10 JJGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C(\C)c1ccccc1O 59829636 JPQOZCVXTBEIAT-MTDXEUNCSA-N 486.601 4.568 50 10 JJGE CC(C)(C)[C@@H](CBr)COc1c(I)cc(C#N)cc1[N+](=O)[O-] 96871364 CVQDXSAXXFHLGY-JTQLQIEISA-N 467.101 4.507 50 10 JJGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)C1=O 101334378 VSZQVTGSGXQZLW-LSPPGFKNSA-N 466.541 4.939 50 10 JJGE O=C(CSc1ccccc1)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 252597267 CQWRGHZSVSBNOO-UHFFFAOYSA-N 453.951 4.600 50 10 JJGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(N(CC)CC)cc1 252610379 IBJXERLHBUOKFG-FQEVSTJZSA-N 491.665 4.553 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc(O)cc2)cc1 254353609 ZIMREUIILBHNCY-UHFFFAOYSA-N 454.482 4.927 50 10 JJGE Cn1ncc([C@H](Cl)c2cc(Br)c(Br)s2)c1I 393598994 OALNONNXCUBQCG-ZETCQYMHSA-N 496.393 4.939 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)ccc1O 1865681009 CKEIJMIFKBNDOA-QFIPXVFZSA-N 460.534 4.537 50 10 JJGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865693091 RMWVFBBQXALQSB-NRFANRHFSA-N 450.926 4.714 50 10 JJGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865697106 XEYPOYQBSLNBQU-HXUWFJFHSA-N 495.377 4.579 50 10 JJGE COc1ccccc1NCCC(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866888905 CDVGQTUWGFGLJG-XMMPIXPASA-N 460.559 4.567 50 10 JJGE O=C(N[C@@H](CBr)CC(F)(F)F)c1csc(Br)c1Br 2032959076 SZHRXDCETOSGDN-SCSAIBSYSA-N 473.934 4.719 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNc1ccc([N+](=O)[O-])cc1I 2061267645 GXPNBBBIGSLDIO-UHFFFAOYSA-N 499.396 4.517 50 10 JJGE CC1(C)[C@H](Br)CC[C@H]1NC(=O)c1csc(Br)c1Br 2086026633 SCZGKDGXXQZMSA-HTQZYQBOSA-N 460.029 4.955 50 10 JJGE CCC(CC)(CBr)CN=[S@]1(=O)CC[C@@H](CNC(=O)OC(C)(C)C)C1(C)C 2106788637 RJWHWCLNOFQEMY-HAWMADMCSA-N 453.487 4.979 50 10 JJGE Cc1[nH]nc(CBr)c1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 2123238705 XMRRMGXFXGOKMZ-AWEZNQCLSA-N 454.415 4.627 50 10 JJGE O=S(=O)(c1cc(CCl)sc1Br)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 2163341669 MDAPOYSFVZRPLZ-IBGZPJMESA-N 489.888 4.536 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CCC(COCCBr)CC1 2167401460 HOTSUTNDPKYBTI-UHFFFAOYSA-N 490.055 4.537 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1C[C@H](Br)C2(CCCC2)C1 2174368079 HYQRDXWMXCDUBR-ZDUSSCGKSA-N 468.560 4.724 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2184575576 VGWKGVHGEPNAHY-YHPBZONMSA-N 468.560 4.723 50 10 JJGE CN([C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21)S(=O)(=O)c1csc(CBr)c1 2190546126 DXUXZLLBIPPWIF-LNKGRISISA-N 470.454 4.647 50 10 JJGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OC1CCC(C(F)(F)F)CC1 2217090736 LXJNTBSNTJUZKS-KOHJWAIASA-N 465.294 4.843 50 10 JJGE C[C@@H]1C[C@H](Br)[C@@H](C)N(C(=O)c2cc(Br)sc2Br)C1 2220342546 AKHQJZOYFIUGKD-BHNWBGBOSA-N 460.029 4.907 50 10 JJGE BrC[C@@H]1CC[C@H]2CN(Cc3c(Br)cccc3Br)C[C@H]2O1 2289188838 SLOJAMADDSHDIG-ZIBATOQPSA-N 468.027 4.586 50 10 JJGE C[C@H]1[C@H](Br)CCCN1Cc1ccc(I)c(Br)c1 2306222029 OXGNJEORZFGONO-GXSJLCMTSA-N 472.990 4.802 50 10 JJGE O=C(c1scc(Br)c1Br)N1[C@H]2CC[C@@H]1[C@@H](CBr)C2 2308533430 MYMMFSWPASUKMG-BKPPORCPSA-N 458.013 4.661 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccccc1Cl 2313724521 DYEMMZMNVJFWFX-UHFFFAOYSA-N 476.916 4.880 50 10 JJGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2)c(OC)c1 2314737448 LSPVENGTOAVAPE-UHFFFAOYSA-N 470.525 4.780 50 10 JJGE CC(C)(C)[C@@H](CBr)CNC(=O)c1ccc(Cl)cc1I 2340061611 PNOZYCBCKVMYAP-VIFPVBQESA-N 458.565 4.732 50 10 JJGE C[C@]1(CBr)C=CCCN1C(=O)c1ccc(Cl)cc1I 2340066697 UCDYBERIKBXKNB-CQSZACIVSA-N 454.533 4.500 50 10 JJGE Cl[C@H]1C[C@H]2CC[C@H]1[C@@H](NCc1ccc(I)c(Br)c1)C2 2349831692 NTMZUOABJCOTAV-RNKJKDHYSA-N 454.577 4.939 50 10 JJGE C[C@@H]1CC2CC(CO[C@H](CI)c3ccccc3Br)(C2)O1 2368121600 VHGJTMAXZGKRLG-NPICMGTBSA-N 451.142 4.899 50 10 JJGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C/c1ccc(OCc2ccccc2)cc1 33720172 YNCHQWIKYVKBMA-CCVNUDIWSA-N 452.436 4.784 50 10 JJGE COc1cc(/C=C(\C#N)c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1ccc(F)cc1 34988305 YBOGEBOGVWGJOI-SFQUDFHCSA-N 470.460 4.565 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC)c(OC)c2)cc1 38659538 RBTCXBCZQMCFTE-SANMLTNESA-N 486.524 4.930 50 10 JJGE COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccc(C)cc2C)nc2ccccn2c1=O 39858863 RBVSDFOBMLYSHL-CYVLTUHYSA-N 466.497 4.658 50 10 JJGE CC(C)Cc1ccc([C@@H](C)C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 66199291 YLFNIEYUWOTOSB-OAHLLOKOSA-N 464.393 4.862 50 10 JJGE O=S(=O)(N[C@H]1CCCC[C@@H]1Br)c1c(Cl)cc(Br)cc1Cl 136951922 SBVCDEYAHPAHEW-KWQFWETISA-N 466.022 4.740 50 10 JJGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)OC)cc2OC)cc1OCC 207294746 GTGRNQXAHXRMIL-VWDAIKGWSA-N 479.529 4.972 50 10 JJGE O=C(NCC1(CBr)CCCC1)c1cc(Br)cc(Br)c1 232471491 PPTRIPRAQIUTOL-UHFFFAOYSA-N 454.000 4.897 50 10 JJGE Cc1cc(C=NNC(=O)c2c[nH]c3ccccc23)c(C)n1-c1ccc(I)cc1 254702591 UOJYOATYDOMULQ-UHFFFAOYSA-N 482.325 4.944 50 10 JJGE CCOc1ccc(Br)cc1C(=O)NN=Cc1ccccc1OC(=O)c1ccccc1 254822737 LBCKZROANHAVMC-UHFFFAOYSA-N 467.319 4.831 50 10 JJGE O=C(NC1CCC(CBr)CC1)c1cc(Br)c(Br)s1 306099829 ORYCCEKUFQGGMW-UHFFFAOYSA-N 460.029 4.957 50 10 JJGE C[C@H]1CCCN(C(=O)c2ccc(I)c(Cl)c2)[C@H]1CCBr 697197764 BZXPUXRCRVNATK-HZMBPMFUSA-N 470.576 4.970 50 10 JJGE O=S(=O)(N[C@@H]1CCC[C@@H](Br)C1)c1c(Cl)cc(Br)cc1Cl 703646334 KDCFIVVQOZTKOH-VXNVDRBHSA-N 466.022 4.740 50 10 JJGE Cc1ccc(S(=O)(=O)OC[C@@H]2CO[C@](CCl)(c3ccc(Cl)cc3Cl)O2)cc1 888085564 QRZGBKXOQYURPY-KSSFIOAISA-N 451.755 4.514 50 10 JJGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c3ccccc32)cc1 1083939966 KNZHEYXCMHZSMD-NRFANRHFSA-N 496.611 4.803 50 10 JJGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 1083948693 BSPPCVCLQGHRFB-UHFFFAOYSA-N 483.487 4.615 50 10 JJGE COc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccc(C)cc1 1084179035 IQEUSWFDZWEJCR-UHFFFAOYSA-N 480.564 4.969 50 10 JJGE COc1ccccc1OCC(=O)NN=Cc1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 1084291470 BPDGHPPGDAOSFV-UHFFFAOYSA-N 494.554 4.893 50 10 JJGE O=C(NN=C1c2ccccc2C[C@@H]1NC(=O)c1ccccc1F)Nc1ccc(OC(F)(F)F)cc1 1088723041 YXORUFRXRLESBX-FQEVSTJZSA-N 486.425 4.605 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(O)cc2)CCC3)cc1Cl 1772745350 XENKPCVOVFXZEN-UHFFFAOYSA-N 451.910 4.978 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865692147 JKEAGANLGJANKV-NRFANRHFSA-N 495.377 4.823 50 10 JJGE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2F)cc1 1865702627 XTNDZAGKCMCHOT-HXUWFJFHSA-N 453.315 4.668 50 10 JJGE N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866130835 OYOGBXOGLMLFAY-RVDMUPIBSA-N 457.283 4.770 50 10 JJGE CCc1cccc(C)c1N1C[C@@H](C(=O)Nc2sc(/C(C)=C/C#N)c(C)c2C(=O)OC)CC1=O 1873428644 SAEYBVNKXTURMW-KAPURRDVSA-N 465.575 4.632 50 10 JJGE O=C(c1csc(I)c1)N1CCC2(CCC(CBr)CC2)C1 1916970262 LHUMOISWFOGLAG-UHFFFAOYSA-N 468.198 4.770 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC(C)(C)C(F)(F)F)C1 1990086908 HRTRDYJKNMFMNA-AWEZNQCLSA-N 451.267 4.549 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 2010828906 NRFCLRKZMCHJDU-VGOFRKELSA-N 475.721 4.662 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(OCCOC2CCCCC2)CC1 2027132728 KLRMULRSCAENLP-UHFFFAOYSA-N 467.388 4.557 50 10 JJGE Cn1nc([C@@H](Br)Cc2ccncc2Br)c(Br)c1Cl 2048147867 MTWYVZCIRCWRMP-ZETCQYMHSA-N 458.379 4.672 50 10 JJGE CC1(C)[C@@H](CBr)OCCN1Cc1ccc(Br)cc1Br 2103395298 UOVJGYFDCWGWIG-CYBMUJFWSA-N 456.016 4.586 50 10 JJGE CC(C)(C)OC(=O)N[C@@H](C[S@](C)(=O)=NCC1(CBr)CCCC1)C(C)(C)C 2106788599 RBIQVGZCCSCPFK-HAWMADMCSA-N 453.487 4.979 50 10 JJGE CC[C@]1(CBr)COCCN1Cc1ccc(Br)cc1Br 2112720152 ILBXKDMFPMVEGU-AWEZNQCLSA-N 456.016 4.588 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H](Br)CC12CC2 2113571044 WTECDXVSEGIEGR-SNVBAGLBSA-N 498.984 4.586 50 10 JJGE COCCN(Cc1ccccc1)S(=O)(=O)c1c(CBr)sc2ccccc12 2123245798 KBNXHVXCMREKNJ-UHFFFAOYSA-N 454.411 4.634 50 10 JJGE Cn1cc(Br)c(CC(CBr)(CBr)c2ccccc2F)n1 2143633848 KHFCBZBYEATAQZ-UHFFFAOYSA-N 468.990 4.592 50 10 JJGE Cc1nc([C@@H](Br)c2cc3c(cc2Br)NC(=O)C3)c(Br)s1 2169495880 OJPPWZSQUAHXLD-NSHDSACASA-N 481.007 4.955 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CI)O[C@H]1CC[C@@H](C(F)(F)F)CC1 2217090745 LXJNTBSNTJUZKS-ZOWXZIJZSA-N 465.294 4.843 50 10 JJGE C[C@@H]1C[C@@H](Br)[C@@H](C)N(C(=O)c2csc(Br)c2Br)C1 2220346525 ZBEYDWCGNLESCA-ZXFLCMHBSA-N 460.029 4.907 50 10 JJGE BrCc1ccc(OCCOCCOCCOCc2ccccc2)c(Br)c1 2227770793 HSSPVGWLAGZUBJ-UHFFFAOYSA-N 488.216 4.973 50 10 JJGE Cc1nnccc1COc1c(Br)cc(CBr)cc1Br 2274347646 HFBPDFNGWYMGPN-UHFFFAOYSA-N 450.956 4.784 50 10 JJGE O=C(c1csc(Br)c1Br)N1[C@H]2CC[C@H](C2)[C@@H]1CBr 2310102259 WUYXACYDWDQOMF-FJXKBIBVSA-N 458.013 4.661 50 10 JJGE Cc1c(C=C(C#N)C(=O)NC[C@H]2CCCO2)c2ccccc2n1Cc1ccc(Br)cc1 2313610372 WVIYOHXYAFHREK-OAQYLSRUSA-N 478.390 4.963 50 10 JJGE COc1cc(C=C(C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccc(Cl)cc1Cl 2313738825 RDFOSAATQFNPCD-LJQANCHMSA-N 461.345 4.783 50 10 JJGE C[C@@H]1CC2CC(CO[C@H](CI)c3ccc(Br)cc3)(C2)O1 2368120751 LXLRJMBAVUKQAY-NPICMGTBSA-N 451.142 4.899 50 10 JJGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)CCC(=O)Nc1ccc(C)c(C)c1 10683452 GXPVQCUUFZWREH-VGOFRKELSA-N 453.583 4.541 50 10 JJGE CC(C)c1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)c(Br)c1 12579989 FIBLWPSJLIHZFC-ZVBGSRNCSA-N 454.708 4.663 50 10 JJGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCc2ccccc2)c1C 33536936 CTZYFGKKGDCLGH-JCMHNJIXSA-N 464.525 4.635 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@@H]1c1ccccc1F 38652032 XMBNYKIIDDKNPG-QHCPKHFHSA-N 450.853 4.682 50 10 JJGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc21 38681356 MVQMZCOEUHYJEF-SANMLTNESA-N 474.488 4.817 50 10 JJGE COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccccc2Cl)nc2ccccn2c1=O 39858673 SFIFXOLSXUIOQR-PEZBUJJGSA-N 472.888 4.694 50 10 JJGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1 100272678 GYTUNNLBJNPOCI-FQEVSTJZSA-N 485.650 4.756 50 10 JJGE Cc1nc(COc2ccccc2/C=C\C(=O)NNC(=O)Cc2cccc3ccccc23)cs1 206566859 ZKDOSOOTPGHXBZ-YPKPFQOOSA-N 457.555 4.587 50 10 JJGE CN1CCN(c2ccc(N/C=C(/C#N)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)CC1 217250134 WZAVNLXTPXUXMC-PFONDFGASA-N 463.891 4.569 50 10 JJGE Cn1cc(CCC(CBr)(CBr)c2ccc(Br)cc2)cn1 230928087 NCLKPZGUDNMTAQ-UHFFFAOYSA-N 465.027 4.843 50 10 JJGE COc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)c1O 254483825 RZIOLJKVORCTEZ-UHFFFAOYSA-N 487.585 4.508 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CNC(=O)c2ccccc2C)cc1 254498339 ASTHTEVJVNMTEL-UHFFFAOYSA-N 495.583 4.517 50 10 JJGE FC(F)(F)c1cnc(N2CCCC[C@@H]2CCBr)c(I)c1 686110462 BCKJTBXXIMEKED-SNVBAGLBSA-N 463.079 4.849 50 10 JJGE C[C@@H]1C[C@H](CBr)CN(C(=O)c2scc(Br)c2Br)C1 705463441 JFEDSZNXDIJSNU-HTQZYQBOSA-N 460.029 4.766 50 10 JJGE C[C@@H](CCCCBr)NC(=O)c1ccc(I)c(Br)c1 721616655 VGNKZUZFCRYCEQ-VIFPVBQESA-N 488.989 4.737 50 10 JJGE C[C@H]1CCCN(C(=O)c2ccc(I)c(Br)c2)[C@@H]1CCCl 721623819 VGHIOOXQHGUJBY-IINYFYTJSA-N 470.576 4.923 50 10 JJGE Cc1cccc(COc2ccc([C@@H](C)NC(=O)NNC(=O)c3cn(C)c4ccccc34)cc2)c1 727840905 DXPAWUMOKZJOTJ-LJQANCHMSA-N 456.546 4.771 50 10 JJGE Cc1oc(C=NNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1Br 1083846946 MIQKNGXQRJAFPZ-QHCPKHFHSA-N 498.402 4.889 50 10 JJGE CSc1ccc(C=NNC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 1084115078 FPPNSRZWCHBQRE-UHFFFAOYSA-N 481.643 4.755 50 10 JJGE COc1cc(C=NNC(=O)c2ccccc2-n2cccc2)ccc1OC(=O)c1ccc(C)cc1 1084272524 ZKDPZURZNNYOBQ-UHFFFAOYSA-N 453.498 4.777 50 10 JJGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865695441 CPKACNMHQOOPDK-SFHVURJKSA-N 471.742 4.774 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)ccc1OC(C)C 1865696887 SWEKKNRWZXXXJG-QHCPKHFHSA-N 464.953 4.907 50 10 JJGE COc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1OC 1866133314 YHKSQXAUNAPAEE-KMPOOHAWSA-N 467.591 4.561 50 10 JJGE O=S(=O)(c1cc(CBr)ccc1Br)N(Cc1ccccc1)CC(F)F 2009659001 WZQYQXKUIATXJC-UHFFFAOYSA-N 483.172 4.800 50 10 JJGE CC1(C)C[C@@H](CBr)N(C(=O)c2cc(Br)c(Br)s2)C1 2033710970 GACVBVLUPOICRT-ZETCQYMHSA-N 460.029 4.909 50 10 JJGE O=S(=O)(c1ccc(CBr)c(Cl)c1)N(Cc1ccccc1)CC(F)(F)F 2059266937 KKZFADPYHCXUCK-UHFFFAOYSA-N 456.711 4.988 50 10 JJGE FC1(F)CO[C@@H](COc2c(Br)cc(Br)cc2CBr)C1 2088531433 NPDGCLNTXWLNQE-SECBINFHSA-N 464.926 4.910 50 10 JJGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)cc(F)c1C 2179864068 VZVHIOBLRCUSNG-UHFFFAOYSA-N 458.393 4.647 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN(CCCCCI)C1 2214705376 RCGHJVQRZXLLFW-SJORKVTESA-N 450.405 4.703 50 10 JJGE Cc1nn(C)c([C@H](Br)c2ccc3c(c2Br)CCO3)c1Br 2238075115 YDCIJCWCEOEISE-CYBMUJFWSA-N 464.983 4.673 50 10 JJGE CC1(C)CCN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CCl)sc1Br 2239858419 IVCBKCDHEHFEOC-UHFFFAOYSA-N 491.904 4.925 50 10 JJGE CCC[C@H](CBr)CNC(=O)Cc1cc(Br)cc(Br)c1 2277924751 DHFLYCNTGFLIND-SNVBAGLBSA-N 456.016 4.682 50 10 JJGE C[C@@H]1[C@@H](CBr)CCN1Cc1ccc(I)c(Br)c1 2306220424 XKOOESWABFDBEH-MWLCHTKSSA-N 472.990 4.659 50 10 JJGE CC[C@H](C)[C@H](CI)NCc1cc(I)ccc1Cl 2307325333 XXDJUVMADPEVIG-ZANVPECISA-N 477.555 4.884 50 10 JJGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(F)cc2)c1 2314532807 MFSSPDJLUBKLFD-UHFFFAOYSA-N 454.461 4.788 50 10 JJGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 2314616915 MVFKFQQZLQKQHG-UHFFFAOYSA-N 493.523 4.982 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1OC 2314634516 CNYQRPARGLTFIP-MHZLTWQESA-N 468.509 4.931 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H]2CC[C@H]1C[C@@H]2Br 2315493253 INDOYXNRWCDHAR-FJXKBIBVSA-N 458.013 4.661 50 10 JJGE Cc1nc(C[C@H](Br)c2c(Br)c(Br)nn2C)sc1C 2316717299 HMMXFHVWARHVIS-ZETCQYMHSA-N 458.017 4.697 50 10 JJGE Cc1cc(F)c(Br)cc1C(=O)N[C@H](CCBr)COCc1ccccc1 2320356612 OOKGXVPLTNISQC-OAHLLOKOSA-N 473.180 4.997 50 10 JJGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3c(O)ccc4cc(Br)ccc34)nc2c1 2331046439 XJPYPMMWWFWPDO-UHFFFAOYSA-N 476.286 4.807 50 10 JJGE C[C@]1(CBr)CCCCN1C(=O)c1ccc(Cl)cc1I 2340059238 VJWGRHNXPHACFJ-CQSZACIVSA-N 456.549 4.724 50 10 JJGE CC[C@H](Br)CN(C(=O)c1ccc(Cl)cc1I)C1CC1 2340066755 UNGZDOQTBSQIAJ-VIFPVBQESA-N 456.549 4.723 50 10 JJGE CC12CC(C1)[C@H](CO[C@H](CI)c1ccccc1Br)CO2 2365844780 HCIKTWXVTKHDHQ-FHBZKAFMSA-N 451.142 4.757 50 10 JJGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)o1 38659291 RYULZYMHNZYEEA-HSZRJFAPSA-N 450.878 4.752 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@@H]1c1ccccc1Br 38678976 RXIYPWYLMDOUMB-NRFANRHFSA-N 492.285 4.795 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@H]1c1c(F)cccc1Cl 38680218 JCNDKRQRUODVCY-JOCHJYFZSA-N 495.850 4.590 50 10 JJGE Nc1c(NNC(=O)c2ccccc2Cl)ncnc1Nc1ccc(Cl)c(C(F)(F)F)c1 40784854 AMTDYCZTKVAWBE-UHFFFAOYSA-N 457.243 4.885 50 10 JJGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NCCC)c(=O)oc3c2)cc1 206544872 DLPPGFJAQRLDEI-ZHZULCJRSA-N 474.513 4.624 50 10 JJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC)c(O)c2)sc2c1CC[C@H](CC)C2 209407106 XPKDAPPAGUCKOG-FBKCMUNRSA-N 454.548 4.700 50 10 JJGE CC(C)(C)[C@H](CCBr)NC(=O)c1cc(Cl)ccc1I 231174871 OSSWRLQPFAPRBY-LBPRGKRZSA-N 458.565 4.874 50 10 JJGE COc1ccc(C=NNC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(OC)c1 252616762 KEWQTTXJFFTKFZ-UHFFFAOYSA-N 464.469 4.616 50 10 JJGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 254761754 IELLKHZEXLSHSZ-UHFFFAOYSA-N 485.565 4.830 50 10 JJGE COc1cc(Cl)ccc1[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CI 382732600 VGUZNCNUOMYJFX-RISCZKNCSA-N 451.732 4.734 50 10 JJGE O=C(CBr)c1cc(C(F)(F)F)c(Br)cc1I 575692116 SXULGIUFOZZPFS-UHFFFAOYSA-N 471.836 4.650 50 10 JJGE CCN(C(C)(C)CBr)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 688388584 CZSUGGZXKHUGPP-UHFFFAOYSA-N 468.038 4.940 50 10 JJGE Fc1cnc2c(c1)nc(CCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705618686 RPZHAYBVQKHFHO-UHFFFAOYSA-N 450.945 4.781 50 10 JJGE CC1(C)C[C@H](NC(=O)c2cccc(F)c2I)C[C@H](Br)C1 721695644 AMJFSEUAHBZNGV-VHSXEESVSA-N 454.121 4.502 50 10 JJGE C=CCc1cc(/C=C(\C#N)C(=O)N(C)C)cc(OC)c1OCc1ccc(Br)cc1 1083982721 PJHSSNVNUCDEEG-XDHOZWIPSA-N 455.352 4.760 50 10 JJGE Cc1cc(Nc2ccc(C(=O)N/N=C/c3c(C)n(C)n(-c4ccccc4)c3=O)cc2)nc2ccccc12 1616047545 FTTBMMMAXFPTQJ-UXHLAJHPSA-N 490.567 4.849 50 10 JJGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5cccnc5)c(C)c43)coc2c1 1772751963 QALGEBBZVGHHID-UHFFFAOYSA-N 470.529 4.998 50 10 JJGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(N(C)C)cc2)c1 1865684313 WHXSMCPBOLWRRP-HXUWFJFHSA-N 467.495 4.851 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc1OCC 1865687519 SWTMEXSHMDUPEE-QFIPXVFZSA-N 450.926 4.850 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)cc1OCC 1865688833 CEYUBSCLJPCRGH-QHCPKHFHSA-N 462.525 4.648 50 10 JJGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 1865756943 FXRNFSJQLTYPHP-GFCCVEGCSA-N 480.298 4.871 50 10 JJGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3ccccc3SCC(C)C)c(C)n2)cc1OC 1865759262 QJDMBLVFLQJVTM-UHFFFAOYSA-N 479.602 4.897 50 10 JJGE C[C@@H](NC(=O)CCCC(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1866796333 AAKZJHQODHMAHZ-CQSZACIVSA-N 474.380 4.519 50 10 JJGE COc1ccc([C@H](C(=O)NC(C)(C)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1OC 1866984066 GWJNDOBQISTAQV-OAQYLSRUSA-N 455.580 4.550 50 10 JJGE N#C/C(=C(/O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(Cl)s2)cs1 1872758068 JYHBROLDUAITNJ-RAXLEYEMSA-N 472.891 4.522 50 10 JJGE COc1c(Cl)cc(CC[C@H](Br)CN2C(=O)c3ccccc3C2=O)cc1Cl 1901611712 XBZQNSFHQNJLBP-LBPRGKRZSA-N 457.151 4.994 50 10 JJGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(F)cc1I 1914612866 MQMWZJMYCYQWIU-LBPRGKRZSA-N 476.127 4.856 50 10 JJGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)s1 1915087107 QQXFTKPBCWXSQM-GFCCVEGCSA-N 467.248 4.875 50 10 JJGE O=C(c1cc(O)cc(Br)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915273394 RETYWIGKHJJAIC-SFHVURJKSA-N 453.174 4.971 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C 1985349576 BEUMLNPOLGYLQY-SJORKVTESA-N 463.710 4.708 50 10 JJGE CC[C@@H](Br)c1nnc(-c2ccc(Br)cc2I)o1 2026221318 KFESOSVPCCZSRH-MRVPVSSYSA-N 471.918 4.950 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@@H]2CC[C@H](Br)[C@H]2C1 2027634673 FCIKYHUIGHGJBI-FXQIFTODSA-N 458.013 4.519 50 10 JJGE CC[C@H](Br)CCCNC(=O)c1ccc(Br)cc1I 2086150642 DGLNQDXZBBWMSY-VIFPVBQESA-N 488.989 4.737 50 10 JJGE O=C(c1cc(I)ccc1Br)N1C[C@@H](Cl)CC2(CCC2)C1 2151341594 BAOYIMSHHNANQL-JTQLQIEISA-N 468.560 4.677 50 10 JJGE Cc1cscc1CN(C)S(=O)(=O)c1cc(CBr)sc1Br 2181975021 GEGAXCAHYPPBNC-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE CC(C)(C)[C@H]1[C@H](Cl)CCN1C(=O)c1ccc(I)c(Br)c1 2185110214 YLWJXKLQNJGDGN-DGCLKSJQSA-N 470.576 4.922 50 10 JJGE CC1(C)CC[C@@H](CBr)N1S(=O)(=O)c1cc(Br)ccc1Br 2205770263 PSAXIJVSWIMAOB-JTQLQIEISA-N 490.055 4.538 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CI)O[C@H]1CCC[C@@H](C(F)(F)F)C1 2217091606 USWXSVMRQQJRTR-XUJVJEKNSA-N 465.294 4.843 50 10 JJGE Cc1ccc(I)c(C(=O)N[C@H]2C[C@H](Br)CC(C)(C)C2)c1 2240924096 JYBYATCOWXSQAJ-RYUDHWBXSA-N 450.158 4.672 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CCCCC[C@H]1CBr 2295315311 JVIXWERCVJKCAT-AWEZNQCLSA-N 468.027 4.920 50 10 JJGE C#CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1OCC 2313568898 YLBKOFSZNNJSMK-UHFFFAOYSA-N 486.309 4.556 50 10 JJGE C=CCN1C(=O)C(=Cc2ccco2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 2314397438 NBTZLIWKQLHNOP-UHFFFAOYSA-N 486.764 4.808 50 10 JJGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 2314735429 TYZOFNGJKVZBTP-UHFFFAOYSA-N 482.587 4.668 50 10 JJGE BrC[C@@H]1[C@H]2CC[C@H](C2)N1Cc1ccc(I)c(Br)c1 2325228164 BOIFXMAUCUMMLG-MISXGVKJSA-N 485.001 4.802 50 10 JJGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1 2335066533 LYKYIAZVMPTKEG-XZBVAUNFSA-N 450.996 4.941 50 10 JJGE Cn1cc(I)c(C[C@H](CBr)Cc2ccc(Br)cc2)n1 2341757072 ZMLHSNSGPLSQCX-LLVKDONJSA-N 498.000 4.584 50 10 JJGE CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 9873943 NPKCWHAYIZWUQY-KBPBESRZSA-N 483.790 4.610 50 10 JJGE CC(C)Oc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 14658823 HCXGJNZYZCGOBK-NSHDSACASA-N 490.181 4.772 50 10 JJGE CC/C(=N\NC(=O)COc1c(Br)cc(Br)cc1OC)c1ccccc1 20075355 LGROVZIPNAKQFD-RCCKNPSSSA-N 470.161 4.530 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1cccc2ccccc12 38657782 WGEJDZVEYZREDV-HHHXNRCGSA-N 493.475 4.951 50 10 JJGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc(Cl)cc3)c(C)c21 40813207 OQGQZHHPYUESBP-OVVQPSECSA-N 451.910 4.973 50 10 JJGE CC(C)(C)[C@H](CBr)COc1c(I)cc(C#N)cc1[N+](=O)[O-] 96871363 CVQDXSAXXFHLGY-SNVBAGLBSA-N 467.101 4.507 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N(CCCl)C2CCCC2)cc1Br 155817976 NDGFRFVMOWTMID-UHFFFAOYSA-N 459.631 4.692 50 10 JJGE CC(C)(CCBr)CNC(=O)c1cc(Br)ccc1I 227908469 XJPFPTCGGLQYOB-UHFFFAOYSA-N 488.989 4.595 50 10 JJGE COc1ccccc1/C=C/C=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 254400716 UAZAQTCARYPPBG-FIJUYVHHSA-N 469.570 4.850 50 10 JJGE CNc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1 382723940 PAHSBERNBMRVTE-PKOBYXMFSA-N 450.320 4.516 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@@H](CBr)[C@H](C(F)(F)F)C1 709804996 SZJDQHNYCJYPTN-IYSWYEEDSA-N 499.972 4.919 50 10 JJGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=C/C=C/c1ccccc1 1084277869 WMJBOGYFUOGKLD-FBKLVLASSA-N 452.146 4.714 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccccc1Cl 1084651449 JUVHQPLHJGLCRD-UHFFFAOYSA-N 462.859 4.855 50 10 JJGE C=CCn1c(SCC(=O)NNc2cccc(C#N)c2)nnc1-c1ccc(Cl)cc1Cl 1165868349 ODNVAZRIBYOIFG-UHFFFAOYSA-N 459.362 4.545 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](CBr)[C@H](c2cc(Br)cc([N+](=O)[O-])c2)C1 1614642052 KMXVOHNMTGSZLR-FZMZJTMJSA-N 464.154 4.703 50 10 JJGE Cc1cccc(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)c1C 1858685440 OJQBANIPEPXDSP-INIZCTEOSA-N 450.451 4.624 50 10 JJGE CCS(=O)(=O)C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 1899886941 WLZLTWARWYQDPA-QGZVFWFLSA-N 462.203 4.899 50 10 JJGE CC1(NS(=O)(=O)c2cc(Cl)c(Br)s2)CCC(Br)CC1 1924735435 GEWOPKDHLKZUBP-UHFFFAOYSA-N 451.633 4.539 50 10 JJGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 1958928448 OPJMGRUFYNJSLU-VABKMULXSA-N 480.468 4.986 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCc2cc(Cl)cc(Cl)c2)C1 1992071323 OLGSXCVJVGLTCH-UONOGXRCSA-N 472.150 4.933 50 10 JJGE CSCC[C@@H](Br)CCNC(=O)c1cc(Br)sc1Br 2029923410 HPTJMXOEJWYVRZ-ZETCQYMHSA-N 480.085 4.910 50 10 JJGE CC(F)(F)C[C@@H](CBr)NC(=O)c1cc(Br)c(Br)s1 2050370197 VICDKDDRCNHQTP-YFKPBYRVSA-N 469.971 4.812 50 10 JJGE Brc1cc(I)cnc1N1C[C@H](Br)C2(CCCC2)C1 2069529987 VBWLASKGJWJPND-NSHDSACASA-N 485.989 4.593 50 10 JJGE CN(C[C@H]1CCC[C@@H]1Cl)C(=O)c1ccc(Br)cc1I 2142289652 RZFOSPXTBHKHTD-SKDRFNHKSA-N 456.549 4.533 50 10 JJGE C[C@@]1(CCl)CC(F)(F)CN1C(=O)c1cc(I)ccc1Br 2159055147 TUDNWUURKFTZSQ-LBPRGKRZSA-N 478.502 4.532 50 10 JJGE CC1(C)C[C@H](CCl)CN(C(=O)c2cc(Br)ccc2I)C1 2172584494 CWPIFJVZXGJJHX-SNVBAGLBSA-N 470.576 4.781 50 10 JJGE O=S(=O)(c1ccc(CBr)cc1Cl)N1CCCN(Cc2ccccc2)CCC1 2179794730 JZNUWYSHFCSTGQ-UHFFFAOYSA-N 471.848 4.522 50 10 JJGE C[C@@H]1C[C@H](Br)[C@@H](C)N(C(=O)c2ccc(Cl)c(I)c2)C1 2268343938 KCPONFPRMWOZQX-KKZNHRDASA-N 456.549 4.579 50 10 JJGE C=CC[C@@]1(CCl)CCCCN1c1ncc(I)cc1Br 2272083381 AKUQVHVXEKWOAD-AWEZNQCLSA-N 455.565 4.993 50 10 JJGE O=C(N[C@@]1(CCl)C[C@H]2CC[C@H]1C2)c1cc(Br)ccc1I 2283914608 WLWCZMYIJXUMLH-AMJWSMQMSA-N 468.560 4.581 50 10 JJGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN=CC=Cc1ccccc1[N+](=O)[O-] 2293394411 SEKMOWVKUFSEPW-UHFFFAOYSA-N 484.541 4.750 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N(CCCBr)C1CCC1 2295314055 SOOOFZHUGUPKIA-UHFFFAOYSA-N 468.027 4.920 50 10 JJGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCCc3ccccc3)N(c3ccccc3)C2=O)cc1 2296506857 ILRBIPQEMQORIO-RUZDIDTESA-N 467.594 4.780 50 10 JJGE BrCC[C@H](NCc1ccc(I)c(Br)c1)C1CC1 2306220976 BRAFDWXVFGVRCM-ZDUSSCGKSA-N 472.990 4.707 50 10 JJGE C=CC[C@H](Br)[C@@H]1CCN1C(=O)c1scc(Br)c1Br 2314217407 TYLZOLODAHTQEF-CBAPKCEASA-N 458.013 4.827 50 10 JJGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccccc2C)c(C)c1 2314532759 LXOOTOZCWQSFBU-UHFFFAOYSA-N 450.498 4.958 50 10 JJGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1ccc(SC#N)cc1 2325406527 XYZPICFJYSYOKR-UHFFFAOYSA-N 460.300 4.631 50 10 JJGE O=C(N[C@H]1CCCC[C@@H]1CBr)c1ccc(Cl)cc1I 2340060358 BLTPTCIORWETOP-RNCFNFMXSA-N 456.549 4.628 50 10 JJGE CC1(C)COC[C@@H]1CO[C@@](C)(CI)c1ccccc1Br 2364410412 ZSJXJVGUOKRXRS-WBMJQRKESA-N 453.158 4.789 50 10 JJGE O=C(N[C@H]1C[C@H](CBr)C12CCC2)c1cc(Cl)ccc1I 2379720438 PDLJHIIBKRGKCG-RNCFNFMXSA-N 468.560 4.628 50 10 JJGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)NCCc3ccccc3)N(c3ccc(F)cc3)C2=O)cc1 1888918 IDNQIUZWKCILIZ-CHTIKVTKSA-N 485.584 4.919 50 10 JJGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C)cc1 14648297 YJGICLYCZALEDC-UHFFFAOYSA-N 463.372 4.557 50 10 JJGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)NCCCn1ccnc1 33595005 AWBMINUBCZORNW-RCCKNPSSSA-N 462.513 4.595 50 10 JJGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1 38649411 PHEOVKSMNCTMCV-AREMUKBSSA-N 485.496 4.921 50 10 JJGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(=O)Nc1ccccc1C 39993099 ZYGMCJPOLRICBW-XDJHFCHBSA-N 466.497 4.658 50 10 JJGE O=C(NNc1ncnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1ccc(Br)cc1 40607712 BZCPOVDHNRYKGA-UHFFFAOYSA-N 480.731 4.709 50 10 JJGE COc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825880 HPUALYQYGLALBY-TWKHWXDSSA-N 468.513 4.868 50 10 JJGE CCCCCOc1ccccc1C(=O)N/N=C1/C(=O)N(CCOc2ccccc2)c2ccccc21 59159224 QSTIFCVKYFGNTD-PBBVDAKRSA-N 471.557 4.815 50 10 JJGE CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C(C)C)cc1 101240564 IAIBOLAKGBMFON-ZNCVUUBVSA-N 484.419 4.745 50 10 JJGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1C 110351582 YVEMMRDOEAFFNS-YDBALXKVSA-N 491.567 4.815 50 10 JJGE O=S(=O)(NC[C@@H]1CCCC[C@@H]1CBr)c1ccc(Br)cc1Cl 136740858 YZQZKSAXCFPFSE-MNOVXSKESA-N 459.631 4.582 50 10 JJGE CCCCCOc1ccc(/C=N\NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cc1 169920367 BGFUMYCVPPSRBC-PKAZHMFMSA-N 451.954 4.883 50 10 JJGE CCOc1ccc(CCN/C=C(/C#N)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1OCC 217203101 NFMYFSSDZRSYQH-TTWQBBKJSA-N 461.606 4.780 50 10 JJGE C[C@H](NC(=O)/C(C#N)=C\NCCc1ccccc1Br)c1ccc2c(c1)CCCC2 217204765 CTGGLXCWPLFIGV-DBZAVIBRSA-N 452.396 4.745 50 10 JJGE COC(=O)c1ccccc1NC(=O)/C(C#N)=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 217225990 RDNVHEXXSDEUHA-KHPPLWFESA-N 457.330 4.969 50 10 JJGE C#CCOc1ccc(Br)c(C=NNC(=O)c2ccc(OCc3ccccc3)cc2)c1 254739952 FRFLXMODVDGJCQ-UHFFFAOYSA-N 463.331 4.804 50 10 JJGE C[C@@H](C=NNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)Cc1ccc2c(c1)OCO2 254845721 LDOJPQAVPOLDLX-HXUWFJFHSA-N 457.530 4.841 50 10 JJGE O=C(N[C@H]1CCC[C@H](CBr)C1)c1cc(Br)c(Br)s1 385072882 UQLOMSCBVLNKEQ-YUMQZZPRSA-N 460.029 4.957 50 10 JJGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1ccc(I)c(Cl)c1 686180167 RLZJGCXJGQMOGI-CYFJXOGMSA-N 468.560 4.721 50 10 JJGE Cc1c(CC(CBr)(CBr)c2ccccc2Br)cnn1C 689469645 SDFVQDCEELMWND-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE CC[C@@H](C[C@@H](C)Br)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 716935444 PJEMFUYJIXOIBF-APPZFPTMSA-N 468.038 4.986 50 10 JJGE CC[C@H](C[C@H](C)Br)NC(=O)c1cc(Br)ccc1I 716936015 DGFGMNDXVSOLOW-WCBMZHEXSA-N 488.989 4.736 50 10 JJGE C[C@H]1C[C@H]([C@H](Br)c2cc(I)cc3c2OCC3)C[C@@H](C)O1 724390988 RVXKSNMWYXTGKW-HOZXKAFVSA-N 451.142 4.866 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)cc1 1084069995 IBDKEFRCRYIZOP-JOCHJYFZSA-N 451.479 4.526 50 10 JJGE C#CCC1(O)CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)CC1 1153263024 WTZLUTBMUXNKBR-RGEXLXHISA-N 456.373 4.685 50 10 JJGE O=C(CBr)Nc1ccc(Oc2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)cc2)cc1 1859474809 RYZNZAFEMJKXQN-OALUTQOASA-N 475.339 4.642 50 10 JJGE Cc1ccc(-c2ccc(C(=O)NNC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c(C)n2)cc1 1865757576 JZEQHXZKTDRPQZ-OAHLLOKOSA-N 458.345 4.901 50 10 JJGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)c1ccc(Br)o1 1865759149 KVJGFQAGDLOWKC-UHFFFAOYSA-N 469.122 4.794 50 10 JJGE CC[C@@H](NC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866670033 ZEXHRZLUBSZZBF-LJQANCHMSA-N 468.966 4.953 50 10 JJGE CC[C@@](C)(NC(=O)Cc1nc(-c2cccc(OC)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866675935 LISVSKHBGHACKE-RUZDIDTESA-N 478.574 4.698 50 10 JJGE CCc1cccc(C)c1N1C[C@H](C(=O)Nc2sc(/C(C)=C/C#N)c(C)c2C(=O)OC)CC1=O 1873428645 SAEYBVNKXTURMW-SPQRHKFCSA-N 465.575 4.632 50 10 JJGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2cc(CCl)sc2Br)C1 1921421070 WJCKDYPQZJXUCE-HUUCEWRRSA-N 491.904 4.781 50 10 JJGE O=C(N[C@@H](CBr)CC1CCCC1)c1cccc(F)c1I 1926757240 MXOXMZLTOOEBQH-LLVKDONJSA-N 454.121 4.504 50 10 JJGE CS(=O)(=O)c1csc([C@@H](Br)c2ccc(I)c(Cl)c2)c1 2093074191 JEDKKAXIPSQZCM-LBPRGKRZSA-N 491.597 4.894 50 10 JJGE O=C(N[C@H](CBr)c1cscn1)c1cc(Br)ccc1Br 2119039392 ONCSKJGQKLLTOP-SNVBAGLBSA-N 468.996 4.534 50 10 JJGE CC1(C)[C@@H](Cl)CC[C@@H]1NC(=O)c1ccc(Br)cc1I 2142280466 DSCMVSXVCKFMFB-RYUDHWBXSA-N 456.549 4.580 50 10 JJGE C[C@H]1CC[C@@H](CCl)N(C(=O)c2ccc(Br)cc2I)C1 2142285367 OQCMGGQGUOGEAZ-ONGXEEELSA-N 456.549 4.533 50 10 JJGE CCC[C@H](CCCl)CNC(=O)c1ccc(Br)cc1I 2142285369 OQKMEAIFFCTYPD-SNVBAGLBSA-N 458.565 4.829 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@@H]2C[C@H](Br)CC[C@H]21 2143972700 HPNWTPGOSXVNOX-GLXFQSAKSA-N 466.011 4.990 50 10 JJGE C[C@](CBr)(NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C1CC1 2146581214 AHXBSEIXKUBDKG-GFCCVEGCSA-N 466.022 4.598 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H](CCl)[C@@H](C(F)(F)F)C1 2163349772 XZGRRVYCFOVMEU-RITPCOANSA-N 455.521 4.762 50 10 JJGE Cc1cccc(C(CBr)(CBr)Cc2cc(Br)n(C)n2)c1 2168213383 WTACOUIKRZVULU-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE C[C@]1(CC(CBr)(CBr)c2cccc(Br)c2)COCCO1 2174172342 VGYPYCOWJYKYCO-AWEZNQCLSA-N 471.027 4.672 50 10 JJGE CC1(C)C[C@@](C)(CCl)CN1C(=O)c1ccc(I)c(Br)c1 2199553082 CCOVJEAYQWOXNB-HNNXBMFYSA-N 470.576 4.923 50 10 JJGE CC[C@@H](Br)c1cn(-c2ccc(C(F)(F)F)cc2I)nn1 2204127897 LYNFKUBSGRCLMR-MRVPVSSYSA-N 460.035 4.737 50 10 JJGE CC(C)c1cc(Br)cc(C(=O)N2C[C@H](Br)[C@H](Br)C2)c1 2266015836 CKDKAPYZNWDYLC-BETUJISGSA-N 454.000 4.555 50 10 JJGE CN(C(=O)c1ccc(Cl)c(I)c1)C1(CCBr)CCC1 2268341117 CRSDTKVYWULVMX-UHFFFAOYSA-N 456.549 4.724 50 10 JJGE O=C(N[C@]1(CBr)C[C@H]2CC[C@H]1C2)c1scc(Br)c1Br 2268600916 AAXCFKHSWVBKNU-UPFKWVMWSA-N 472.040 4.957 50 10 JJGE O=C(NC[C@H](Br)c1ccccc1)c1ccc(Cl)c(I)c1 2283651180 DGTWIUHVICMNHL-LBPRGKRZSA-N 464.528 4.811 50 10 JJGE CC(C=Cc1ccccc1)=NNC(=O)CCC(=O)Nc1ccc(I)cc1C 2297271797 QDUCNFFQJWXQLX-UHFFFAOYSA-N 475.330 4.524 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)c(C)c2)cc1 2314785107 IJMOXXMZQCOQSI-UHFFFAOYSA-N 471.351 4.565 50 10 JJGE C[C@H](CBr)[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1I 2365590876 CYKVRLUBUWVJKJ-QMTHXVAHSA-N 470.576 4.970 50 10 JJGE COc1ccc(CCn2c(C)cc3c(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 2218567 WCDNQKHLWITHGH-VWLOTQADSA-N 455.558 4.750 50 10 JJGE O=C(/C=C/c1ccc(Cl)cc1)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14833996 OCVZOPFBNUEDHM-BJMVGYQFSA-N 486.808 4.541 50 10 JJGE CN(C)c1ccc2c(c1)[S@@](=O)S[C@@]2(c1ccccc1)c1ccc(N2CCOCC2)cc1 15776412 AFBYYCFQHHQJLE-VVFBEHOQSA-N 450.629 4.651 50 10 JJGE CC1=CC[C@](C(=O)O)(C(=O)N/N=C/C2=C(O)CC(C)(C)CC2=O)C[C@@H]1c1ccc(Cl)cc1 20035957 RMIBHHGRVDLZEG-YIHHOSDLSA-N 458.942 4.538 50 10 JJGE N#C/C(=C/c1cn(CCOc2ccccc2F)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 33935961 SMNWRMZMVMLKIA-ZHZULCJRSA-N 483.499 4.811 50 10 JJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1 38650593 IRZMGDUXNSFZBQ-RUZDIDTESA-N 456.498 4.921 50 10 JJGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1 38682325 CGXPLXKWRHHUPN-JOCHJYFZSA-N 459.483 4.754 50 10 JJGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)c1 38684901 HXHHBRIQQMQLLI-SANMLTNESA-N 456.498 4.596 50 10 JJGE CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc(C(C)C)c(C)c2)cc1OC 40911842 QLAXWEPDRCUOHN-WYMPLXKRSA-N 463.372 4.817 50 10 JJGE COC(=O)/C(C#N)=C/c1ccc(OC(=O)c2sc3ccc(OC)cc3c2Cl)c(OC)c1 41008063 BZDIDMHWQMYUNN-MDWZMJQESA-N 457.891 4.871 50 10 JJGE O=S(=O)(c1ccc(Br)cc1Cl)N(CCBr)C1CCCCC1 147343052 CRTOUHBBPVMTCX-UHFFFAOYSA-N 459.631 4.821 50 10 JJGE N#C/C(=C/NCCc1cccc(Br)c1)C(=O)NC(c1ccccc1)c1ccccc1 216980361 DSHZWYKZYQJRMC-PYCFMQQDSA-N 460.375 4.894 50 10 JJGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCc1ccc(Br)cc1 231319331 MMLRJMQSWMKLMI-MRXNPFEDSA-N 484.172 4.684 50 10 JJGE O=C(N[C@H]1CCCCC[C@@H]1Br)c1cc(Cl)ccc1I 236066986 SNWTWGGBIOVGQR-AAEUAGOBSA-N 456.549 4.771 50 10 JJGE O=C(NN=Cc1cccc(OCc2ccccc2)c1)c1ccccc1I 252461615 NAZRSGJPHNRBNK-UHFFFAOYSA-N 456.283 4.634 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(O)c(Cl)c2)C1 382681127 BCMSYCLGZIJLAZ-HOTGVXAUSA-N 471.722 4.833 50 10 JJGE C[C@H](CCCBr)CNC(=O)c1cc(I)ccc1Br 384367728 JDOAJSVUYOFLNP-SECBINFHSA-N 488.989 4.595 50 10 JJGE C[C@]1(CCl)CCCCN1C(=O)c1ccc(I)c(Br)c1 722992596 VQBPVYUXVBRDKU-CQSZACIVSA-N 456.549 4.677 50 10 JJGE CC(=O)N(c1ccc(C)cc1)c1nc(C=NNC(=O)c2ccccc2Br)cs1 917530533 MDFRENGRIIQDQT-UHFFFAOYSA-N 457.353 4.663 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccc(C(F)(F)F)cc2N)C1 1614642994 PPCRBDBEBSKIDC-GXFFZTMASA-N 470.273 4.673 50 10 JJGE Cc1c(C(=O)Oc2ccc(F)cc2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747952 UBFGEESUVGXBGM-UHFFFAOYSA-N 486.297 4.574 50 10 JJGE CC(C)(C)c1ccc(OCCCC(=O)NN=Cc2cccc([N+](=O)[O-])c2)c(Br)c1 1772755501 JSCKTDQKMZTDDF-UHFFFAOYSA-N 462.344 4.964 50 10 JJGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865689063 JCKRAIPCXIKNBS-OAQYLSRUSA-N 471.904 4.520 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1cccnc1 1865699981 HXQMLFQHRRLEMB-HXUWFJFHSA-N 470.330 4.915 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706320 SZBXTYLSVUYKFZ-HSZRJFAPSA-N 497.486 4.872 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(C(=O)O)cc1)C(C#N)=C(N)O2 1865709424 VIDJIDPHVXHUKP-IBGZPJMESA-N 479.334 4.504 50 10 JJGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714004 ASGCVWKJMVORPQ-IBGZPJMESA-N 453.315 4.614 50 10 JJGE CCCOc1ccc(-c2csc(NC(=O)CI)c2C(=O)OCC)cc1 1865947586 LNKHPRUZOJZRTB-UHFFFAOYSA-N 473.332 4.754 50 10 JJGE CCOC(=O)c1cnn(-c2ccc(Cl)cc2)c1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1 1866128234 DYQRDFKVRBELSR-RVDMUPIBSA-N 455.301 4.901 50 10 JJGE CCC[C@@H](NC(=O)[C@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866696900 QIWUBPPNWAZUDU-DNQXCXABSA-N 458.587 4.905 50 10 JJGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccccc2C)cc1 1873794866 FPWMDAOJKYCIIA-SYOQMXFQSA-N 471.623 4.671 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@@H](CBr)C2(CCC2)C1 1914498599 UREQSIIBRXFGFD-MRVPVSSYSA-N 472.040 4.910 50 10 JJGE CCc1nc(C(=O)N(C)C[C@H](Br)COCc2ccccc2)c(Br)s1 2003569103 MQTYMJWOFLWFOO-ZDUSSCGKSA-N 476.234 4.520 50 10 JJGE Cn1ncc([C@@H](Br)c2cc(Cl)c(F)cc2Cl)c1I 2083781886 ZWCVKKRIGXFERP-JTQLQIEISA-N 463.903 4.955 50 10 JJGE C[C@@H]1CN(C(=O)c2cccc(Br)c2Br)[C@H](C)C[C@H]1Br 2093116581 ZZFVRPIULAUSKA-KBVBSXBZSA-N 454.000 4.846 50 10 JJGE C[C@H]1CN(S(=O)(=O)c2cc(CCl)sc2Br)[C@H](C)CN1Cc1ccccc1 2095831742 RQPFZVYJALOFQD-UONOGXRCSA-N 477.877 4.533 50 10 JJGE CC(C)(C)OC(=O)N[C@H](C[S@](C)(=O)=NC[C@H](CBr)C1CCC1)C(C)(C)C 2106787715 JYUCBDGFJDPWEL-DBFUXIHBSA-N 453.487 4.835 50 10 JJGE O=C(Nc1ccc(F)c(CBr)c1)c1cc(I)ccc1F 2169667198 YLVOPHGWICWZMQ-UHFFFAOYSA-N 452.036 4.717 50 10 JJGE O=S(=O)(N[C@@H](CBr)c1cccs1)c1c(Cl)cccc1Br 2175669250 PTWBZFKBYCBLCT-JTQLQIEISA-N 459.612 4.579 50 10 JJGE CC(C)(C)[C@H]1[C@@H](Cl)CCN1C(=O)c1ccc(I)c(Br)c1 2185110215 YLWJXKLQNJGDGN-WCQYABFASA-N 470.576 4.922 50 10 JJGE C[C@H](Br)[C@@H](NC(=O)Cc1cc(Br)cc(Br)c1)C(F)(F)F 2295311414 KLOPEGVZGYPEQI-UPONEAKYSA-N 481.932 4.585 50 10 JJGE N#CC(=Cc1ccc(OCC(=O)O)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570585 AJJIIXAWANHSBH-UHFFFAOYSA-N 470.106 4.765 50 10 JJGE CC(C)[C@@H]1C[C@H](Br)CN1C(=O)Cc1cc(Br)cc(Br)c1 2370731130 LQVZZBZXTMVQMU-KBPBESRZSA-N 468.027 4.775 50 10 JJGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc1 14029727 ALQRBHLCPFAICL-UHFFFAOYSA-N 475.614 4.723 50 10 JJGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)c1 38684924 YSETVENEJIYNLJ-LMKMVOKYSA-N 474.488 4.815 50 10 JJGE Cc1cccnc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811746 WYNVYVWAKJYXBT-WPWMEQJKSA-N 481.350 4.777 50 10 JJGE CC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2ccc3c(c2)OCO3)c(Br)c1 40951459 ZCLBKVVCQAKVBE-ZMOGYAJESA-N 461.356 4.785 50 10 JJGE O=S(=O)(Nc1ccc(Br)cc1Br)c1ccc(CBr)cc1 115918301 WTAXKNIUBGBMQC-UHFFFAOYSA-N 484.007 4.907 50 10 JJGE Cc1cccc(C(=O)N[C@@]2(CBr)CCC[C@H](C)C2)c1I 235629791 ROUJBOPEACCURA-ZBEGNZNMSA-N 450.158 4.673 50 10 JJGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C)cc3)nnc2-c2ccc(C)cc2)cc1 254413895 FUSVDHUISBYNOM-UHFFFAOYSA-N 471.586 4.802 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)CSc3nc4ccccc4s3)cc2)cc1 254824021 NYDGFFHEXGWIID-UHFFFAOYSA-N 497.623 4.615 50 10 JJGE C[C@@H](Br)C[C@H]1CCCN1C(=O)c1ccc(Br)cc1Br 311979657 LJXVTDOEHPJBMT-MWLCHTKSSA-N 454.000 4.990 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(O)c(Cl)c2)C1 382681126 BCMSYCLGZIJLAZ-CVEARBPZSA-N 471.722 4.833 50 10 JJGE O=C(CBr)c1c(Br)ccc(I)c1C(F)F 575685529 LVIZYDLYUYDLMB-UHFFFAOYSA-N 453.846 4.569 50 10 JJGE N#CSc1ccc(NC(=O)c2ccc(NC(=O)N3CCN(c4ccccc4)CC3)cc2)cc1 586658462 IUEDDSOCRPQPMK-UHFFFAOYSA-N 457.559 4.866 50 10 JJGE CCCn1c(O)nnc1SCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 606348119 FTCUYCUONHMTIP-UHFFFAOYSA-N 463.485 4.572 50 10 JJGE Cc1ccnc(COc2c(Br)cc(Br)cc2CBr)n1 692620131 UDTYPAOGCXHZCO-UHFFFAOYSA-N 450.956 4.784 50 10 JJGE C[C@H]1CCC[C@@](CCl)(NC(=O)c2ccc(I)c(Br)c2)C1 721571728 IKYDPDMKFBTPOD-ZUZCIYMTSA-N 470.576 4.971 50 10 JJGE C[C@H]1CN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)C[C@@H](C)O1 725238470 UENKHEZHXVCRBN-BIENJYKASA-N 474.932 4.716 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1 1083967838 HRRQSUDKNARHCB-UHFFFAOYSA-N 452.514 4.975 50 10 JJGE N#Cc1ccc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 1083990452 LIJCKOPMSDDLDU-UHFFFAOYSA-N 487.151 4.766 50 10 JJGE COc1ccc(C(=O)NN=Cc2ccc(SCC(=O)Nc3ccc4ccccc4c3)o2)cc1OC 1084209970 JTUYZMCNLRVEDX-UHFFFAOYSA-N 489.553 4.945 50 10 JJGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2Cc1c(F)cccc1Cl 1865691598 WBECKWRUGGUKSF-JOCHJYFZSA-N 450.901 4.815 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccccc1C(=O)O 1865703944 JIQNZHWQTBECIJ-INIZCTEOSA-N 492.816 4.659 50 10 JJGE O=C(c1cc(O)cc(Br)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915273391 RETYWIGKHJJAIC-GOSISDBHSA-N 453.174 4.971 50 10 JJGE CC(=O)[C@H](Br)Cc1cc(Br)c(Br)c(Br)c1 1931651825 WFLFDUJOUKCHMF-SSDOTTSWSA-N 463.789 4.869 50 10 JJGE O=C(N[C@H]1CCC[C@H](CBr)C1)c1cccc(Br)c1Br 2092340065 LXIJIRCRGRLHQQ-UWVGGRQHSA-N 454.000 4.895 50 10 JJGE C[C@H]1C[C@H](CBr)CCN1C(=O)c1cc(Cl)ccc1I 2115842997 JTTLIUOGIZQYHB-VHSXEESVSA-N 456.549 4.580 50 10 JJGE C[C@@H](CCCCCI)NS(=O)(=O)c1cc(Cl)sc1Cl 2117894883 NNZDOCZATLVLMJ-QMMMGPOBSA-N 456.198 4.717 50 10 JJGE C[C@H]1CN(Cc2c(Br)cccc2Br)C[C@H](CCBr)O1 2122794713 OSFCQLUKRIDYTD-QWRGUYRKSA-N 456.016 4.586 50 10 JJGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CCCCS2(=O)=O)c1Br 2138853782 REZQMEGFBMOZGK-WCQYABFASA-N 475.040 4.923 50 10 JJGE CCc1nn(CC)c(CN[C@@H](C)CCCCCI)c1Br 2174523879 OMMRRSHNZTVNSM-LBPRGKRZSA-N 456.210 4.701 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CC[C@H](Cl)CC12CCC2 2207274164 ZFVCFQXPBWDHKJ-NSHDSACASA-N 468.560 4.820 50 10 JJGE O=C(c1csc(I)c1)N1[C@H](CBr)C[C@H]2CCCC[C@@H]21 2232019110 BSMSMIMXBQTYTI-USWWRNFRSA-N 454.171 4.521 50 10 JJGE O=C(N[C@@H]1CCC[C@H](CBr)C1)c1ccc(Cl)c(I)c1 2268350057 SGHPYOFLGAXRNZ-GXSJLCMTSA-N 456.549 4.628 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OCCOCCOc1ccc(C)cc1 2293205588 PCZQTTKXGOREDY-UHFFFAOYSA-N 490.556 4.685 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OC(=O)c1ccccc1Cl 2295672728 YSZIROAHXWDZIG-UHFFFAOYSA-N 490.899 4.520 50 10 JJGE CC1(C)c2ccccc2N2CCC(=O)N[C@]21C=Cc1ccc(N(CCCl)CCCl)cc1 2297470918 NYHFJYYJQHIJQX-RUZDIDTESA-N 458.433 4.998 50 10 JJGE N=[S@](=O)(CC1CC(Br)C1)c1cc(I)ccc1Br 2300843197 ZXAFOULYMHDFIB-YKHUGAOKSA-N 493.002 4.633 50 10 JJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1 2314634806 NLAXLVWPDQSSMR-VWLOTQADSA-N 486.911 4.964 50 10 JJGE BrC[C@@H]1C[C@H]2CC[C@H]1N2Cc1ccc(I)c(Br)c1 2325225900 KBIMHLAYZBNDSE-MISXGVKJSA-N 485.001 4.802 50 10 JJGE CC(C)[C@@H](C(O)=C(C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1C(=O)c2ccccc2C1=O 2331232908 XSDSTGJZXCSLEG-FQEVSTJZSA-N 474.498 4.832 50 10 JJGE COc1cc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)cc(OC)c1OC 2331309084 UYVVCWSLEWRMLZ-UHFFFAOYSA-N 479.558 4.675 50 10 JJGE C=CC[C@]1(CBr)CCN(C(=O)c2ccc(Cl)cc2I)C1 2365593485 UJAGEOMTQXDXBY-OAHLLOKOSA-N 468.560 4.748 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc(Br)cc1 33849963 WXYZYSDDTJNYKW-MOSHPQCFSA-N 491.341 4.900 50 10 JJGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c1 35446772 IHXDUEFPEFGDJB-IXZAGVDLSA-N 470.573 4.920 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2)cc1 38650187 XASFILUMWSKXPF-RUZDIDTESA-N 456.498 4.921 50 10 JJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)c1 38659925 UJGXLPPYLBXMEQ-QHCPKHFHSA-N 462.889 4.795 50 10 JJGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1 39858580 JASWWANWWOAKAE-HKWRFOASSA-N 480.524 4.966 50 10 JJGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 39992861 AJMGSYIXCFISQO-HMMYKYKNSA-N 480.524 4.966 50 10 JJGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2 40823901 RRAZVQHYVLATMT-OVVQPSECSA-N 454.889 4.608 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1cc(C)cc(C)c1 40870061 RPOLEZSEAKYZLR-OEAKJJBVSA-N 470.525 4.520 50 10 JJGE CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1 40926903 VEYMNSMCYYCSGK-JEMCFHTPSA-N 456.498 4.911 50 10 JJGE CCOc1ccc(N/C(SCc2cccc([N+](=O)[O-])c2)=C(\C#N)C(=O)NCc2ccco2)cc1 105422906 NUKBQDZPFQOTFF-GYHWCHFESA-N 478.530 4.983 50 10 JJGE Cn1c(=O)n(C)c2cc([C@@H](Br)c3cc(Br)c(Br)s3)ccc21 128560429 RUVFXPWAZGFXKK-GFCCVEGCSA-N 495.034 4.948 50 10 JJGE C[C@@H](NC(=O)/C(C#N)=C\NCCc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 217204897 QSWJQTVNWONSQS-VULIGXMUSA-N 452.396 4.745 50 10 JJGE COc1ccc(Br)c(C=NNC(=O)COc2ccc3ccccc3c2Br)c1 252621761 NGEJPTHUZJBVSD-UHFFFAOYSA-N 492.167 4.903 50 10 JJGE C=CCc1cc(C=NNC(=O)c2ccc(C#N)cc2F)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 254401445 FKNUCVJACVFQAQ-UHFFFAOYSA-N 488.475 4.686 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3C)n2-c2ccccc2)cc1OC 254403168 IMOUPZVMRFDWDM-UHFFFAOYSA-N 487.585 4.502 50 10 JJGE Cc1cccc(C(=O)NCC(=O)NN=Cc2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)c1 254623395 HGJFGSVQDDERHH-UHFFFAOYSA-N 479.536 4.556 50 10 JJGE C[C@@H](Sc1nnc(CNc2ccccc2)n1-c1ccccc1)C(=O)NN=Cc1ccc(F)cc1 254751223 AZMLUNFHHQPNPP-GOSISDBHSA-N 474.565 4.649 50 10 JJGE Cc1cccc(C(=O)N[C@H](CBr)C2CCCCC2)c1I 386317338 XUPBNZVUVLTASK-CQSZACIVSA-N 450.158 4.673 50 10 JJGE C[C@]12CC[C@H](OC(=O)CBr)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O 504791311 NINRIIHMWQEVEA-ABIRGMGDSA-N 495.454 4.550 50 10 JJGE COc1ccc(CCNC(=O)c2cccc(NC(=O)Nc3ccc(SC#N)cc3)c2)cc1OC 586699928 DBWBAOAQOAXMMF-UHFFFAOYSA-N 476.558 4.893 50 10 JJGE CCOc1cc(C=NNC(=O)[C@H](C)Sc2nc3ccccc3s2)cc(Br)c1O 1083846960 SPGIEKVGFUBBJR-NSHDSACASA-N 480.409 4.794 50 10 JJGE Cc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(Br)cc1F 1084209166 XGSSOMYTWRPYJO-JOCHJYFZSA-N 472.358 4.960 50 10 JJGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 1084389350 ZCGMAEFMJMNNTF-UHFFFAOYSA-N 472.328 4.783 50 10 JJGE N#C/C(=C(/O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccccc2Cl)cs1 1872746074 QGXYMGBPIVIVGM-JXAWBTAJSA-N 480.889 4.851 50 10 JJGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc(NS(C)(=O)=O)cc3)n2)cc1C 1872758408 YTSNORKTIFOABN-UZYVYHOESA-N 455.561 4.757 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC12CCC2 2061267771 ISYSAKYWPNHJQJ-QZTJIDSGSA-N 489.748 4.956 50 10 JJGE O=C(c1scc(Br)c1Br)N1CC[C@H](Br)[C@H]2CC[C@H]21 2069990854 JCOPNLQYYYKIQK-BKPPORCPSA-N 458.013 4.661 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@H](Br)CC12CCC2 2099391226 FMNDLBRLEZCTHL-SNVBAGLBSA-N 451.984 4.744 50 10 JJGE C[C@H]1C[C@@H](CBr)CCN1C(=O)c1cccc(Br)c1Br 2115829616 DALKRTQOKUVUQB-UWVGGRQHSA-N 454.000 4.847 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1[C@H]2CC[C@@H](C2)[C@H]1CBr 2122171975 KFNGJYOLLVRBCM-GMOODISLSA-N 451.984 4.600 50 10 JJGE CC(C)[S@](=O)(=NC[C@H](CBr)CC1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2126853178 VROKNMKUIWNREN-PAPQREIWSA-N 451.471 4.683 50 10 JJGE O=C(NC1(CCCCl)CCC1)c1ccc(Br)cc1I 2142281564 ROGIQQMFZNQNRF-UHFFFAOYSA-N 456.549 4.725 50 10 JJGE Clc1ccc(I)c(CN2CCC(COCCBr)CC2)c1 2167392546 ORKUBOFMTJCIAQ-UHFFFAOYSA-N 472.592 4.568 50 10 JJGE C[C@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1cc(CCl)ccc1Br 2197751413 FTVHLOHLSXUNJU-HXUWFJFHSA-N 472.832 4.948 50 10 JJGE CCC[C@@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@H]1CCl 2205698412 QUNFRGBZWIVMHO-GHMZBOCLSA-N 470.576 4.781 50 10 JJGE CC(C)(C)C[C@@H](Br)CNC(=O)c1ccc(Cl)c(I)c1 2268344006 CIYJAKBPYCIRDK-SNVBAGLBSA-N 458.565 4.874 50 10 JJGE C[C@H](Br)CN(C(=O)c1ccc(I)c(Cl)c1)C(C)(C)C 2272448981 AOPJRTBKGQXMIL-VIFPVBQESA-N 458.565 4.969 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)cc2C=C(C#N)C(=O)NCc2ccco2)cc1OC 2295650084 VAWJVWWZDDTWTE-UHFFFAOYSA-N 486.503 4.571 50 10 JJGE CC(C)N(C[C@H]1CCCN(CC(C)(C)CI)C1)C(=O)OC(C)(C)C 2306810587 VFJWOOADAFJCBY-INIZCTEOSA-N 452.421 4.805 50 10 JJGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314593177 ISGDPEPTDBLPHX-DEOSSOPVSA-N 471.582 4.948 50 10 JJGE CC(C)[C@H]1C[C@H](Br)CN1C(=O)c1csc(Br)c1Br 2321384803 RSEIGAYVDZQJLO-IONNQARKSA-N 460.029 4.907 50 10 JJGE BrC[C@@H]1CN(Cc2ccc(I)c(Br)c2)CC12CC2 2325206087 BECQHKUJXCTPFU-LLVKDONJSA-N 485.001 4.661 50 10 JJGE CCOc1cc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OCc1ccc(F)cc1 2328833167 SXMIQUXTHLHRQW-QHCPKHFHSA-N 487.572 4.803 50 10 JJGE O=C(NCC(F)(F)C(F)(F)CI)c1ccccc1OCc1ccccc1 2336540301 AVNGROKKTWBVMH-UHFFFAOYSA-N 481.227 4.701 50 10 JJGE COc1ccccc1N[C@H](C)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1 8683137 BPRUALHCBVHCOB-CIRUFVMISA-N 482.378 4.987 50 10 JJGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc([C@@H](C)CC)cc2Br)cc1 14832272 KYBHYBOBDPXABC-HNNXBMFYSA-N 490.398 4.541 50 10 JJGE CCc1ccc(OCC(=O)N/N=C(/C)c2ccc(Br)cc2)c(Br)c1 35264256 LYKJKQYVHHUNGK-MTJSOVHGSA-N 454.162 4.693 50 10 JJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1 38650621 CQUIGKOMUVEYHM-HHHXNRCGSA-N 470.525 4.986 50 10 JJGE CC1=C(C(=O)N/N=C/c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 59384945 YQCXBZPVHHMHIM-WFBSDAATSA-N 453.782 4.590 50 10 JJGE O=S(=O)(NC[C@H]1CCC[C@@H]1CBr)c1c(Cl)cc(Br)cc1Cl 136720943 IOCSKOGQYISMQU-RKDXNWHRSA-N 480.049 4.845 50 10 JJGE O=S(=O)(N[C@@H](CBr)c1ccccc1)c1ccc(Br)cc1Cl 136895274 IDVXUYQCBYTTQX-ZDUSSCGKSA-N 453.583 4.517 50 10 JJGE COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC)c(OC(C)C)c2)sc2c1CCCC2 209405013 FWGCBVIFFKOTDG-WJDWOHSUSA-N 454.548 4.755 50 10 JJGE C[C@@H](CCl)[C@H]1CCCCN1C(=O)c1cc(Br)ccc1I 696716287 WWQKABKBYKYGLK-IINYFYTJSA-N 470.576 4.923 50 10 JJGE COc1cc([C@H](C)NC(=O)NNC(=O)c2cc(F)ccc2Br)ccc1OC1CCCC1 728743832 DHNRKSNTRFEHSU-ZDUSSCGKSA-N 494.361 4.623 50 10 JJGE CN(C)[C@H](CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)c1ccsc1 914505757 HAMQYKFDLMVOAA-GSERBOKHSA-N 479.009 4.505 50 10 JJGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccccc2)c(Br)c1 1084064007 QSPWTVMQPZBJPQ-JOCHJYFZSA-N 467.363 4.992 50 10 JJGE O=C(CNc1ccc(Br)cc1)NN=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 1084321679 MQRRCJGMCFYICZ-UHFFFAOYSA-N 477.702 4.833 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OC 1084510177 KDMNJTIABHJCGE-CXUHLZMHSA-N 476.314 4.861 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865683810 IRERROKWGWWPQX-HSZRJFAPSA-N 468.488 4.670 50 10 JJGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(C)cc1 1865693132 LWOSWXLIXPBBEK-GOSISDBHSA-N 470.451 4.825 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)ccc1OC(C)C 1865695280 BBEIIFSBECJJRU-QFIPXVFZSA-N 495.377 4.957 50 10 JJGE Cn1cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Br)cc1 1865699078 KHZXDDNPQWDGMN-FQEVSTJZSA-N 472.346 4.858 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1ccccc1[N+](=O)[O-] 1865710199 QPQDYEWFCSLTJJ-QFIPXVFZSA-N 467.460 4.864 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865710404 XGNMAUYZRFGICG-HSZRJFAPSA-N 497.486 4.872 50 10 JJGE C[C@@H](Br)C(C)(C)CNC(=O)c1cc(Br)ccc1I 1913837597 HZZFETMGALNGKL-MRVPVSSYSA-N 488.989 4.593 50 10 JJGE CN(Cc1ccc(I)cc1)C[C@H](Br)COCc1ccccc1 1916355048 PGKSNLJVTZIJMM-KRWDZBQOSA-N 474.180 4.703 50 10 JJGE CN(Cc1cc(Br)cc2c1OCC2)C[C@H](Br)COCc1ccccc1 1916371239 REAFRJCGNZKCKO-IBGZPJMESA-N 469.217 4.796 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H](C2CC2)[C@@H](Br)C1 2032954137 XNPSHZJTDDVSFQ-APPZFPTMSA-N 458.013 4.519 50 10 JJGE O=C(NCc1scc(Br)c1Br)[C@@H](Br)C1CCCC1 2048151686 NIGDNWVFVYLKSX-JTQLQIEISA-N 460.029 4.843 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNc1ccc([N+](=O)[O-])cc1Br 2061268430 SYPQFEDWAXQHDI-UHFFFAOYSA-N 452.396 4.675 50 10 JJGE C[C@H]1CCCN(C(=O)c2c(Br)cccc2Br)[C@@H]1CBr 2094096488 YFPZIOYVNLGBMH-JOYOIKCWSA-N 454.000 4.847 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 2094589329 YTXIPBRBPQYRPU-UJNFCWOMSA-N 472.040 4.909 50 10 JJGE O=C(NC[C@]12CCC[C@@]1(CBr)C2)c1csc(Br)c1Br 2142941211 UNDYRQGJVIIXDL-QWHCGFSZSA-N 472.040 4.958 50 10 JJGE CCC[C@@H](Br)CCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2146566019 HYOJYZCKTUSVGI-MRVPVSSYSA-N 468.038 4.988 50 10 JJGE C[C@H]1C[C@@H](CBr)CCN1c1ncc(C(F)(F)F)cc1I 2172486432 RTGCNZBNYBYDQG-IUCAKERBSA-N 463.079 4.705 50 10 JJGE C[C@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)ccc1Cl 2179789334 PEMWHMWVPVNUFM-INIZCTEOSA-N 471.848 4.520 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@@H]1C[C@H](CCl)C2 2184577130 HVBCCLAUMANJGY-YHPBZONMSA-N 468.560 4.676 50 10 JJGE Cc1cc(C(=O)NC[C@H](CBr)CC(C)(C)C)ccc1I 2207105503 JLLQBKGGCDYUGQ-LBPRGKRZSA-N 452.174 4.777 50 10 JJGE Brc1ccc(C[C@]23CO[C@](CI)(C2)C3)c(Br)c1 2216260907 BHVMUVWHYLVKAS-BETUJISGSA-N 471.958 4.738 50 10 JJGE Cc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccccc1C(=O)O 2293863906 PFKGZNYJFBPQEC-UHFFFAOYSA-N 452.514 4.540 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CCC12CC(CBr)C2 2295312050 SLTTWIVNNGCUSC-UHFFFAOYSA-N 466.011 4.530 50 10 JJGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(Oc3cccc(C)c3)nc3c(C)cccn3c2=O)cc1 2296542837 ZXUCGHXWYYJWDA-UHFFFAOYSA-N 471.538 4.750 50 10 JJGE COc1ccc(CCNC(=O)C(C#N)=CC2=Cc3cc(Cl)cc(Cl)c3OC2)cc1OC 2297444475 VFDOASQVPSAECP-UHFFFAOYSA-N 459.329 4.595 50 10 JJGE N#CC(=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 2297551446 KSRHLHWUHYYCJT-UHFFFAOYSA-N 492.831 4.921 50 10 JJGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCc3cccnc3)oc12 2314450874 ZDVYDYDSNDMTKD-UHFFFAOYSA-N 475.508 4.912 50 10 JJGE CCOc1cc(C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314619102 ZTJOGUJRDGVHIS-OAQYLSRUSA-N 490.531 4.575 50 10 JJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2scc(Br)c2Br)[C@H]1C 2321284733 ILOGJFQZYNYFPJ-FXQIFTODSA-N 460.029 4.907 50 10 JJGE CCN(C[C@@](C)(CI)OC[C@H](OC)c1ccccc1)C(=O)OC(C)(C)C 2336211845 JCDURPVSXSCGCW-FXAWDEMLSA-N 477.383 4.841 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CCS(=O)(=O)CC1 2365189816 YSZHNGSFJLUBAN-NSHDSACASA-N 493.030 4.920 50 10 JJGE Cn1nc(C(F)(F)F)c(CBr)c1Oc1ccc(I)cc1 2365316170 DFQZKOALCXKPJL-UHFFFAOYSA-N 461.019 4.731 50 10 JJGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 1889028 IDOYFWYOZMMFSU-QBHDBVHESA-N 481.936 4.815 50 10 JJGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 14031699 AXZRPVSYRANAJE-SFHVURJKSA-N 469.566 4.610 50 10 JJGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1[C@@H](C)CC 14649721 BPYNIYBEBZSVSZ-INIZCTEOSA-N 477.399 4.982 50 10 JJGE N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@H]1c1ccc([N+](=O)[O-])cc1 20238234 UURMHKYKBVDVMB-KRWDZBQOSA-N 471.336 4.577 50 10 JJGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OC(C)C 34696072 VYONFKARWQLCLM-WNRWPCNTSA-N 470.573 4.837 50 10 JJGE Cc1ccc2c(c1)/C(=N\NC(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)N2CC(C)C 38180248 XKSKTZSLANMLNN-HPNDGRJYSA-N 462.377 4.984 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(F)cc1 38652489 KVZHGBUFBQRRBM-QHCPKHFHSA-N 450.853 4.682 50 10 JJGE O=C1NCCCc2ccc([C@@H](Br)c3csc(I)c3)cc21 228229440 IHMMGFZRHBGTCY-CQSZACIVSA-N 462.150 4.513 50 10 JJGE CC[C@@](C)(CCBr)NC(=O)c1cc(Br)ccc1I 228572162 WCNKVWOTPNGWIB-ZDUSSCGKSA-N 488.989 4.737 50 10 JJGE O=C(NCC1(CCl)CCCC1)c1cc(Br)ccc1I 236014922 UZUMSXMNZZGUCA-UHFFFAOYSA-N 456.549 4.583 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CCl)[C@H](c2ccccc2I)C1 382685819 IZXLIHFPEDADFJ-NVXWUHKLSA-N 455.723 4.882 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cc(F)cc(F)c2)C1 382708492 VSNJDVOTAKFEIX-YJBOKZPZSA-N 457.258 4.752 50 10 JJGE CC[C@H](NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)[C@@H](C)Br 386647170 AZGLHAUIBRGNSG-LDWIPMOCSA-N 454.011 4.596 50 10 JJGE CC(C)(CBr)CCNc1ncc(C(F)(F)F)cc1I 686115630 VOTBOTDKHGIKDG-UHFFFAOYSA-N 451.068 4.928 50 10 JJGE CCc1nn(C)c(COc2cccc(Br)c2CBr)c1Br 706855768 RJOXSVNPXWDSHQ-UHFFFAOYSA-N 466.999 4.981 50 10 JJGE O=C(Nc1cc(I)cc(I)c1)[C@@H](Cl)c1ccccc1 709833234 YDQVRROKECFOID-ZDUSSCGKSA-N 497.501 4.814 50 10 JJGE CCO[C@@H]1CCC[C@H](O[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 721652116 IOYYUCDCDNOOTQ-GJYPPUQNSA-N 467.388 4.555 50 10 JJGE O=C(NCC[C@H]1CCOC1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238802 XGQINJNRVUFBBF-IFXJQAMLSA-N 474.932 4.623 50 10 JJGE CCOc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3cccc4ccccc34)c2C)cc1 1084226772 PDFIRHDGIFHHGM-UHFFFAOYSA-N 454.530 4.735 50 10 JJGE CC(=O)N(c1ccc(NC(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1)C1CC1 1562890009 PPBYWGLCBWDBQJ-UHFFFAOYSA-N 452.511 4.536 50 10 JJGE Cc1ccc([N+](=O)[O-])cc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 1614640468 ZCORGIAYUUXTSC-APWZRJJASA-N 480.302 4.690 50 10 JJGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772748559 AWSNSKNMNHGZDK-UHFFFAOYSA-N 452.514 4.788 50 10 JJGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)Nc1ccccc1C(F)(F)F 1858682675 DZUYYENFUNXIFA-UHFFFAOYSA-N 494.357 4.776 50 10 JJGE CC(C)c1csc(/C(C#N)=C(\O)CCCN2C(=O)c3ccc(Br)cc3C2=O)n1 1872750494 KQGVPLFNBBSVEA-ICFOKQHNSA-N 460.353 4.898 50 10 JJGE Cn1cc(Br)c([C@H](Br)c2sc(Cl)cc2I)n1 1900923835 FKNICJGVHWHYMH-ZETCQYMHSA-N 496.393 4.986 50 10 JJGE C[C@H](CBr)[C@@H](C)NCc1ccc(I)c(Br)c1 1904340358 YGCNOQZYMLYOIT-RKDXNWHRSA-N 460.979 4.563 50 10 JJGE Cc1cc(Br)c(C(=O)NC2CC(Br)C2)cc1NC(=O)OC(C)(C)C 2011823141 RWDPMQXDEDFSBK-UHFFFAOYSA-N 462.182 4.760 50 10 JJGE CC[C@@H](C)[C@@H](CI)NC(=O)c1cc(Br)c(Cl)s1 2023036004 RXJQCXDDNOPYQR-HTRCEHHLSA-N 450.567 4.744 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@@H]2CC[C@@H](Br)[C@H]2C1 2027634672 FCIKYHUIGHGJBI-BIIVOSGPSA-N 458.013 4.519 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H]2C[C@H]1CC[C@@H]2Br 2028283154 NTXQNTPKOWAPIR-PRJMDXOYSA-N 458.013 4.661 50 10 JJGE C[C@H]1C[C@@H](Br)[C@H](C)CN1C(=O)c1csc(Br)c1Br 2032953566 LQYLDHQFFJWYMX-BKPPORCPSA-N 460.029 4.907 50 10 JJGE O=C(c1scc(Br)c1Br)N1CC[C@H](Br)[C@@H]1C1CC1 2067019158 BVGPZCIBLCCHDK-XVKPBYJWSA-N 458.013 4.661 50 10 JJGE CCOc1ccc(Cn2nc(CCl)c(I)c2C(F)(F)F)cc1F 2079207795 LATFGDYCHZZXRP-UHFFFAOYSA-N 462.612 4.831 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@H](Br)C2(CC2)C1 2093180248 HQNMVLLSPDRTCW-LBPRGKRZSA-N 451.984 4.601 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@H](Br)CC12CC2 2113559420 ROORRDUHZZDUHD-VIFPVBQESA-N 451.984 4.744 50 10 JJGE CC(C)[C@H]1[C@@H](Br)CCN1C(=O)c1cccc(Br)c1Br 2126093573 OCSLEMDRFNDOKD-AAEUAGOBSA-N 454.000 4.846 50 10 JJGE CCCN1CCC[C@@H]([C@@H](Br)c2cccc(OCc3ccccc3)c2)S1(=O)=O 2145783968 WVLXWXSLNLUFJE-SFTDATJTSA-N 452.414 4.906 50 10 JJGE CN1CCC(N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)c(CBr)c2)CC1 2179788100 XWDOLTPHOSYWOM-UHFFFAOYSA-N 471.848 4.520 50 10 JJGE CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(CBr)c2)CCN1Cc1ccccc1 2179788222 ZTFAHZOYFAKXSG-SFHVURJKSA-N 471.848 4.520 50 10 JJGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CCCBr)cc1 2179864256 ZFECSPFYTCSHQE-UHFFFAOYSA-N 454.430 4.632 50 10 JJGE C[C@@H](Br)[C@H]1CCCN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295316740 CBQYJRZQYMMZBT-PWSUYJOCSA-N 468.027 4.776 50 10 JJGE CC(=O)Nc1ccc(NC=C(C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1 2296751936 WOQFRYYDTPCMSG-UHFFFAOYSA-N 473.470 4.760 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)c(OC)c1 2314634676 WWONPJJTYQQQGT-MHZLTWQESA-N 468.509 4.849 50 10 JJGE O=S(=O)(N[C@@H](CCCl)COCc1ccccc1)c1ccc(Cl)c(Br)c1 2320659568 DYEGMNNCUKOMFI-AWEZNQCLSA-N 467.212 4.595 50 10 JJGE CCc1ccc([C@@H](C)NC(=O)C(C#N)=CNc2ccc(I)cc2C)cc1 2325098830 RGGVWLWSXRJECX-OAHLLOKOSA-N 459.331 4.859 50 10 JJGE Brc1cc(CN2CC[C@@H](Br)CC23CC3)ccc1I 2325203884 JWZCEHPSBLQQMO-LLVKDONJSA-N 485.001 4.946 50 10 JJGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1cccc(Br)c1Br 2330904169 WDJAKVHOIUDLHS-MMSPYSMKSA-N 451.984 4.503 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(OC(C)=O)cc3)n2)c(OC)c1OC 2331412781 HHEDQJFJIGIGRZ-UHFFFAOYSA-N 452.488 4.711 50 10 JJGE CC(C)C[C@H](CBr)CN=[S@@]1(=O)CC[C@@H](CNC(=O)OC(C)(C)C)C1(C)C 2353823691 DRDPGJZRRPCFAO-YQHYCNIYSA-N 453.487 4.835 50 10 JJGE COc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)c3nnc4n3CCCCC4)cc2OC)cc1 34799570 UOFOOHOYIPFJIX-URBBLPHHSA-N 495.539 4.598 50 10 JJGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2)c1 38658594 FOGFGPITPFBQKH-SANMLTNESA-N 486.524 4.930 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)c1OC 38658969 XVELRRQAITXYAZ-JOCHJYFZSA-N 462.889 4.795 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1[N+](=O)[O-])c1ccc(F)cc1 40658010 RKLHLPZIDKSZCO-UHFFFAOYSA-N 460.425 4.817 50 10 JJGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl 58989069 GAIPUJKNHZWHAK-LGJNPRDNSA-N 483.384 4.879 50 10 JJGE CC(C)Cc1ccc([C@H](C)C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 66199292 YLFNIEYUWOTOSB-HNNXBMFYSA-N 464.393 4.862 50 10 JJGE COC(=O)c1cc(OC)c(OC)cc1N/C=C(/C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1 102419627 SNYDPWKOIGUNBX-QINSGFPZSA-N 481.530 4.608 50 10 JJGE CC(C)Oc1c(Cl)cc(/C=N/NC(=O)c2cc(-c3cccs3)nc(O)n2)cc1Cl 169923664 QUGUXTNJYYTPLX-LSFURLLWSA-N 451.335 4.769 50 10 JJGE CO[C@H]1[C@@H](Oc2c(Br)cc(Br)cc2Br)C[C@H]1Br 229266615 CEONJCHWSKHDHM-WCABBAIRSA-N 493.815 4.904 50 10 JJGE O=C(N[C@@H]1CCCCC[C@@H]1Br)c1ccc(I)c(Cl)c1 232349825 WHQAZBJXURXLCR-GXFFZTMASA-N 456.549 4.771 50 10 JJGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1c(OCc2ccccc2)ccc2ccccc12 254752761 OOGACIKFNZLNGL-UHFFFAOYSA-N 467.525 4.906 50 10 JJGE C=CCc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)/C=C\c2ccccc2)c(OC)c1 254867025 YUPKTJFICJGCJC-WIKKKOFOSA-N 470.525 4.572 50 10 JJGE BrC[C@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(I)c1 382702500 PRTLSDRCPDMCLE-WMZOPIPTSA-N 456.165 4.902 50 10 JJGE CC[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C[C@@H]1Br 399882013 UEXUKMZFXSNPJL-APPZFPTMSA-N 466.022 4.550 50 10 JJGE O=C(CBr)c1cc(I)cc(C(F)F)c1Br 575683931 DIZHULJOHPCJQZ-UHFFFAOYSA-N 453.846 4.569 50 10 JJGE C#CCOc1ccc(C(=O)NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 1354410458 AYUWOFCBYCYBRC-UHFFFAOYSA-N 450.947 4.719 50 10 JJGE CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@]4(C)[C@H](C[C@H](Br)[C@@]4(O)C(C)=O)[C@@H]3CC[C@@H]2C1 1565534926 GEVAMMLEIGNEOT-URDHYMTPSA-N 455.433 4.654 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)cc1 1772747871 SIQIHQBUYRNOHI-UHFFFAOYSA-N 481.350 4.777 50 10 JJGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccs1)CCC2 1772750242 ZYPIHSJAULBZNM-UHFFFAOYSA-N 465.531 4.549 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)cc(Br)c1OC(C)C 1865697336 QDUMMTNHRNTPNT-IBGZPJMESA-N 475.387 4.624 50 10 JJGE N#CSc1ccc(NC(=O)CNC(=O)C[C@H](c2ccc(F)cc2)c2cccc(F)c2)cc1 1868137700 GHVBLQCKFFQGJE-JOCHJYFZSA-N 451.498 4.815 50 10 JJGE O=C(NCC[C@H]1CCC[C@H]1Br)c1csc(Br)c1Br 1913752828 CAUYACYNBSXXJK-VXNVDRBHSA-N 460.029 4.957 50 10 JJGE O=C(N[C@@H]1CCC[C@H]1CCCl)c1cc(I)ccc1Br 2090560776 TZCJEIGMSRMWRB-TVQRCGJNSA-N 456.549 4.581 50 10 JJGE CC(C)C[C@H](CCl)CNC(=O)c1ccc(I)c(Br)c1 2120743155 SAAOLBCVKGBZQV-SNVBAGLBSA-N 458.565 4.685 50 10 JJGE Cl[C@@H]1CC[C@H]2CCCN(c3ncc(I)cc3Br)[C@H]2C1 2133372790 DQEKTXGKFDYTKD-BREBYQMCSA-N 455.565 4.825 50 10 JJGE C[C@H]1C[C@H](Cl)CCN(C(=O)c2ccc(Br)cc2I)C1 2142284955 JRTRZXCFRAAGML-GXSJLCMTSA-N 456.549 4.533 50 10 JJGE CC[C@@H](Br)[C@@H]1CCCCN1C(=O)c1cccc(F)c1I 2170609996 OXIPJXUZGKMXRN-YPMHNXCESA-N 454.121 4.599 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1CCCCCI 2214705204 ONRVDXCFNLZLNI-IRXDYDNUSA-N 450.405 4.846 50 10 JJGE Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2CCBr)cc1I 2232838938 NRARGWOCZWABNG-WFASDCNBSA-N 450.158 4.673 50 10 JJGE Cc1ccc(I)c(C(=O)N2CCCC[C@@H]2[C@@H](C)CBr)c1 2240924102 JZUGQWLAMQRQHX-SWLSCSKDSA-N 450.158 4.625 50 10 JJGE CC1CC(CBr)(CN=[S@@]2(=O)CC[C@H](CNC(=O)OC(C)(C)C)C2(C)C)C1 2265309486 HFIKHTNJLUPHIF-RKTCNWFTSA-N 451.471 4.589 50 10 JJGE CCn1ncc(Br)c1[C@H](Cl)c1ccc(OC)c(I)c1 2269534767 RGSTZTSVKJBPLR-GFCCVEGCSA-N 455.521 4.607 50 10 JJGE COc1ccc([C@H](Br)[C@H]2C[C@@H]2C2CCOCC2)cc1I 2285002312 LSCYXWUVQLLMRB-WWGRRREGSA-N 451.142 4.799 50 10 JJGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C)cc3C)nc3ccccn3c2=O)cc1 2296720863 HDFUTYOXSLDHCM-UHFFFAOYSA-N 450.498 4.958 50 10 JJGE CCCO[C@@H]1[C@H](Br)C[C@H]1OCc1ccc(Cl)cc1I 2340110897 VQFYMPRSMRIMQJ-MRVWCRGKSA-N 459.549 4.792 50 10 JJGE CC[C@@H](C)c1ccc(S(=O)(=O)N[C@@H](CCBr)COCc2ccccc2)cc1 2369430682 HCPGCBVVYHXLFF-XLIONFOSSA-N 454.430 4.849 50 10 JJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 14031875 SXPPVNCPXOELBI-IBGZPJMESA-N 493.629 4.902 50 10 JJGE O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)NNC(=O)c1ccccc1Cl 33871591 IXWMMBCLYPGUIS-LGMDPLHJSA-N 494.063 4.624 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@H]1c1cccc(Br)c1 38651465 PPUWLFVHTKBASX-HSZRJFAPSA-N 495.304 4.791 50 10 JJGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(F)c2)ccc1Cl 38678166 GBWVUYJLSZVOAQ-XMMPIXPASA-N 464.880 4.990 50 10 JJGE CCCc1ccc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1 40870047 PTARDDFRUJHVJQ-LFVJCYFKSA-N 484.552 4.855 50 10 JJGE O=C(COc1ccc2ccccc2c1)NNS(=O)(=O)c1ccc(-c2ncc(-c3ccccc3)o2)cc1 47162853 HFLKNFXJQWTDSP-UHFFFAOYSA-N 499.548 4.550 50 10 JJGE CCn1cc(/C=N\NC(=O)c2ccc3[nH]c(Cc4ccc(OC)cc4)nc3c2)c2ccccc21 169925590 FODSSPUKMADDBN-NTFVMDSBSA-N 451.530 4.901 50 10 JJGE CCCOc1ccc(/C=N/NC(=O)c2ccc3[nH]c(-c4ccccc4O)nc3c2)cc1OCC 169926386 NAPQYULAZQAEOG-JVWAILMASA-N 458.518 4.887 50 10 JJGE C[C@H](N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 253321412 UTQCVMLLJMWEHS-YCEXUUGTSA-N 468.645 4.742 50 10 JJGE Cc1cc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)c(C)o1 254309758 HQOPYTZJIQQEGC-UHFFFAOYSA-N 452.470 4.619 50 10 JJGE 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@]21OCO[C@]12COCO2 254826728 KZKVGEIAXRKFFJ-AESPXWRASA-N 476.686 4.792 50 10 JJGE CC(C)N(CCOCCBr)C(=O)c1cc(Br)sc1Br 311378160 LXKMDMLCNRLVRQ-UHFFFAOYSA-N 478.044 4.535 50 10 JJGE Cc1ccc(F)c([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1 382682832 FECMXGMBUGIOLS-AEFFLSMTSA-N 453.295 4.921 50 10 JJGE CCCN(CCC(=O)OCC)C(=O)Nc1cccc(C(=O)Nc2ccc(SC#N)cc2)c1 586674883 FLDZYKHHWSWSBD-UHFFFAOYSA-N 454.552 4.709 50 10 JJGE O=C(COc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1)Nc1ccc(F)cc1 725391258 FZAGIZMTFNENKX-UHFFFAOYSA-N 460.292 4.914 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)NCCSc2ccc(Cl)cc2)c(-c2ccccc2)n1 914463472 GLUBCMYLMNKPLC-XDJHFCHBSA-N 461.978 4.933 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(O)cc1 1865683421 CYQUZIVFKRGTIZ-OAHLLOKOSA-N 477.240 4.577 50 10 JJGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCC)c(OC)c1 1865695074 JEWCCJXEGHJYQR-JOCHJYFZSA-N 460.534 4.594 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1865700439 SXYSURXDMSYXHU-QFIPXVFZSA-N 469.932 4.874 50 10 JJGE C[C@H](Cl)c1cnnn1-c1cc(Br)c(I)c(Br)c1 1946434947 PYODUVJFDJFLLV-YFKPBYRVSA-N 491.352 4.697 50 10 JJGE C[C@]12CN(C(=O)c3scc(Br)c3Br)C[C@]1(CBr)C2 2046807446 QBDOUGGQFCMKEJ-NWDGAFQWSA-N 458.013 4.520 50 10 JJGE C[C@H]1CC[C@H](CBr)N(C(=O)c2cc(Br)sc2Br)C1 2048050530 BEZVHZDWDOUFSB-JGVFFNPUSA-N 460.029 4.909 50 10 JJGE O=C(NC[C@@H](CBr)C1CCC1)c1cc(Br)ccc1Br 2089961854 YTEJNIVQRPLWLY-SNVBAGLBSA-N 454.000 4.753 50 10 JJGE COCc1cc(Br)c([C@H](Br)c2nn(C)c(Br)c2C)s1 2111927954 FEPOPQKYWZTXPZ-SECBINFHSA-N 473.028 4.946 50 10 JJGE CC1(C)C[C@@H](CBr)CN1C(=O)c1ccc(Br)cc1Br 2127824337 QSWDTWXXTCUZTD-VIFPVBQESA-N 454.000 4.847 50 10 JJGE O=C(N[C@@H]1CCCC[C@H]1CCBr)c1cccc(F)c1I 2146722746 DKQYEDQDBNZFBP-GXFFZTMASA-N 454.121 4.504 50 10 JJGE O=C(NC1(CCBr)CCSCC1)c1cccc(Br)c1Br 2148752429 UBPUNSXFJDSKHU-UHFFFAOYSA-N 486.067 4.992 50 10 JJGE BrCC(CBr)(COC[C@@H]1CCCO1)c1cccc(Br)c1 2149036203 NTRLSUDBSOJQTM-AWEZNQCLSA-N 471.027 4.672 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC2(CCC2)C[C@@H]1CBr 2151516219 PJJZXTGOVLXMPN-LLVKDONJSA-N 466.011 4.991 50 10 JJGE Cn1nc(Br)c([C@@H](Br)c2sc(Br)cc2Br)n1 2210969534 AXKWKGMHVPPZIG-RXMQYKEDSA-N 494.832 4.648 50 10 JJGE Cc1cc(Br)c([C@H](Br)[C@H](C)S(C)(=O)=O)c(C)c1Br 2220149967 OCPHVMOARSHVOV-QPUJVOFHSA-N 463.029 4.698 50 10 JJGE CC(C)(C)C1CC(CBr)(NC(=O)c2cccc(I)c2)C1 2289835902 DOEMXZRHNYSAJF-UHFFFAOYSA-N 450.158 4.611 50 10 JJGE C[C@H](Br)[C@@H]1CCCCN1C(=O)Cc1cc(Br)cc(Br)c1 2295317810 RLORLGPQRIECTK-HZMBPMFUSA-N 468.027 4.919 50 10 JJGE Cc1ccc(-n2c(SCC(=O)NN=CC=Cc3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)cc1 2296405723 OXSVAPMZXXCHLF-UHFFFAOYSA-N 499.552 4.510 50 10 JJGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)c(Br)c1O 2313511075 MMXVVUIOAFTFJG-UHFFFAOYSA-N 466.129 4.780 50 10 JJGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)C(C#N)=CNCCc1ccc(Br)cc1 2325079109 KGXJFVSAENOGET-QGZVFWFLSA-N 456.384 4.573 50 10 JJGE COc1cccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc(Br)cc4C3=O)n2)c1 2331249125 SKGXJVLJUBMKAX-UHFFFAOYSA-N 496.342 4.670 50 10 JJGE O=S(=O)(NCCSCCCBr)c1c(Cl)cc(Br)cc1Cl 2360790436 GGDVYJWVHUTIIL-UHFFFAOYSA-N 486.078 4.552 50 10 JJGE Cc1cccc(C(=O)NCC(C)(C)[C@@H](Br)C(C)C)c1I 2366006231 BPUCSHMPOAPAIQ-AWEZNQCLSA-N 452.174 4.775 50 10 JJGE C[C@H]1CC2CC(CO[C@H](CI)c3cccc(Br)c3)(C2)O1 2368113502 MSWCUYSLFRULJD-RRFBRVDKSA-N 451.142 4.899 50 10 JJGE CCCCOc1cccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)c1 14041655 CPLLLCFDPMSLOL-UHFFFAOYSA-N 463.372 4.591 50 10 JJGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCO3)cc1COc1cc(F)ccc1[N+](=O)[O-] 20258582 UUTHZPOCPUNPAX-PXNMLYILSA-N 491.431 4.596 50 10 JJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1 38658040 KXOOUQDBQVMNBU-AREMUKBSSA-N 472.472 4.593 50 10 JJGE Cc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 58890804 NHMQQYVMGKNUHD-VNEPXBKZSA-N 454.914 4.620 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3)c(OC)c2)cc1 58892676 HRGNRQGLHSEJRR-LKSMXUKOSA-N 462.546 4.637 50 10 JJGE O=C(Cn1c2ccccc2c2ccccc21)N/N=C/c1ccc(I)cc1 59462315 MTDJDUKXLMOVLV-YDZHTSKRSA-N 453.283 4.549 50 10 JJGE CCc1nn(C)c(COc2ccc(CBr)cc2Br)c1Br 91332911 ZIBREZXEKAZBNA-UHFFFAOYSA-N 466.999 4.981 50 10 JJGE CCCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(CCC)C(=O)CCl)cc1OC 97914991 KVRCWMGJVDFJCI-HSZRJFAPSA-N 453.023 4.842 50 10 JJGE COc1cc(OC)c([C@@H](Br)c2csc(I)c2)c(OC)c1 124409666 HTYZLMKVRPNMID-AWEZNQCLSA-N 469.138 4.863 50 10 JJGE COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)NC[C@@H]2CCC[C@@H](CN=C=O)C2)cc1 170287994 AQHSMFBSSAUZOV-DHIUTWEWSA-N 451.567 4.558 50 10 JJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1=O 214295825 RZOZUSDCFGESHB-JLPGSUDCSA-N 484.531 4.697 50 10 JJGE O=C(NN=CC1=C(N2CCOCC2)/C(=C\c2cccc([N+](=O)[O-])c2)CC1)C12CC3CC(CC(C3)C1)C2 245283716 OJYAYSHTIMTBQC-FGBIKOSISA-N 490.604 4.677 50 10 JJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccccc2[N+](=O)[O-])cc1 254520369 DYUHPVHREBBNJV-UHFFFAOYSA-N 499.479 4.505 50 10 JJGE CC(=NNC(=O)C1c2ccccc2Oc2ccccc21)c1cccc(NC(=O)C(F)(F)F)c1 254699698 UWMFUGPTUZPSMN-UHFFFAOYSA-N 453.420 4.965 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(F)cc3)cc2OCC)cc1 254843376 PFGKTEYQGWRCMJ-UHFFFAOYSA-N 494.519 4.762 50 10 JJGE CC[C@@H](Br)[C@@H](CC)NC(=O)c1cc(Br)ccc1I 313088820 RBXHKAJRQKVJNO-ZYHUDNBSSA-N 488.989 4.736 50 10 JJGE C[C@H](Cl)[C@H]1CCCN(C(=O)c2cc(Br)ccc2I)C1 689043897 OKAAGBZZXPTENJ-UWVGGRQHSA-N 456.549 4.533 50 10 JJGE CC[C@H](CCBr)CNC(=O)c1ccc(I)c(Br)c1 721606632 AEWULQZHMWBSQP-SECBINFHSA-N 488.989 4.595 50 10 JJGE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)N[C@H](C)c3ccccc3)cc2OC)c1 915843206 AMKLSBUUDKNGLS-FNLSEGDXSA-N 486.524 4.716 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc(C)c3)c(OC)c2)cc1 1083938421 KKNXJBMNIUJDTQ-RUZDIDTESA-N 476.573 4.945 50 10 JJGE CC(=NNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 1084494911 DSEDESXYNMBBFH-UHFFFAOYSA-N 469.994 4.693 50 10 JJGE COc1cc(C=NNC(=O)COc2ccccc2C)cc(Br)c1OCc1ccccc1 1084593691 BNURIPNVWDQOHX-UHFFFAOYSA-N 483.362 4.874 50 10 JJGE Cc1ccc([N+](=O)[O-])c([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1 1614636558 JVKIGYNPZJFRSB-SJLPKXTDSA-N 480.302 4.690 50 10 JJGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745994 NKRPNKXCTWXQJH-UHFFFAOYSA-N 496.907 4.881 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(O)cc1 1865683420 CYQUZIVFKRGTIZ-HNNXBMFYSA-N 477.240 4.577 50 10 JJGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2OC)cc1 1865707933 JPQGPGISRBBGGM-XMMPIXPASA-N 480.524 4.783 50 10 JJGE CC(C)c1ccc([C@H](CC(=O)N[C@@H](CO)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866741439 MPOBWGFAXRWUQA-PKTZIBPZSA-N 453.608 4.629 50 10 JJGE Cc1cc2nc(CCl)n(-c3ccc(Br)c(I)c3)c2cn1 1917619434 QURCHJPHDSRQCZ-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE O=C(NC[C@H](Br)CC(F)(F)F)c1cc(Br)c(Br)s1 2055497402 NYFIZSHMJJRAOV-SCSAIBSYSA-N 473.934 4.719 50 10 JJGE CC(C)c1cccc(-n2nc(CBr)c(I)c2C(F)(F)F)n1 2078915333 FVQBPMQUZAYESA-UHFFFAOYSA-N 474.062 4.909 50 10 JJGE CCOc1ccccc1Cn1nc(CBr)c(I)c1C(F)(F)F 2079245802 NYZGGJIVIRIVNM-UHFFFAOYSA-N 489.073 4.848 50 10 JJGE COc1cc(F)c([C@@H](Cl)c2cc(I)sn2)cc1Br 2082785367 AMWQOGCIMYMGAS-LLVKDONJSA-N 462.509 4.986 50 10 JJGE C[C@H]1C[C@H](CBr)CCN1C(=O)c1ccc(Br)cc1Br 2115844444 RSMXGIMJKPJSOC-VHSXEESVSA-N 454.000 4.847 50 10 JJGE CN(C(=O)c1ccc(Br)cc1Br)[C@@H](CCBr)C(F)F 2121996704 SSRIHOHEBGXMLG-JTQLQIEISA-N 463.942 4.702 50 10 JJGE O=C(N[C@@H]1CC[C@@H]2C[C@]21CBr)c1c(Br)cccc1Br 2132101052 NGAMCAREYDJCMM-UGQGEIBHSA-N 451.984 4.505 50 10 JJGE O=S(=O)(NC1(CCCBr)CC1)c1c(Cl)cc(Br)cc1Cl 2146288632 KEFOXLJXVLZHNQ-UHFFFAOYSA-N 466.022 4.742 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC2(CC[C@H]1CBr)CC2 2154166732 JIJISPWXNBKFDR-NSHDSACASA-N 466.011 4.991 50 10 JJGE CC(C)(C)OC(=O)Nc1cccc([S@](C)(=O)=NC(=O)[C@@H](Br)C2CCCC2)c1 2167034163 VOOPBHDMEPVRDW-OQRWROFFSA-N 459.406 4.971 50 10 JJGE O=S(=O)(N[C@H](CBr)c1ccsc1)c1ccc(Br)cc1Cl 2175669400 SATVJAUEUQNUKQ-LLVKDONJSA-N 459.612 4.579 50 10 JJGE O=S(=O)(c1cc(CBr)c(Cl)cc1Cl)N1CCCN(Cc2ccccc2)CC1 2179831281 VGOXQOYUSWMTCO-UHFFFAOYSA-N 492.266 4.785 50 10 JJGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2[C@H]3CS(=O)(=O)C[C@H]32)c1Br 2201079332 RTALCXQFTPYDAA-NVVZYBJKSA-N 487.051 4.555 50 10 JJGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCCS2(=O)=O)c(C)c1Br 2227360664 VFAKRMBQPWQISC-GXFFZTMASA-N 475.040 4.842 50 10 JJGE O=C(c1ccc(Br)cc1I)N1C[C@H](Cl)CC12CCCC2 2241039312 JXIOQDVFCJXJSY-LLVKDONJSA-N 468.560 4.820 50 10 JJGE CCn1cc([C@H](Cl)c2ccc(OC)c(I)c2)nc1Br 2269549565 UHFCDNGUSFLMIB-GFCCVEGCSA-N 455.521 4.607 50 10 JJGE CC(C)CN(C[C@H](C)Cl)C(=O)c1cc(Br)ccc1I 2272446206 UBJLNUYLEUOCEZ-JTQLQIEISA-N 458.565 4.779 50 10 JJGE O=C(CCCCCN1C(=O)C(=Cc2cccs2)SC1=S)NNC(=O)c1ccccc1Cl 2296882106 IXWMMBCLYPGUIS-UHFFFAOYSA-N 494.063 4.624 50 10 JJGE Cc1ccc(C(C)C)c(OCCn2cc(C=C(C#N)C(=O)N3CCC(C(N)=O)CC3)c3ccccc32)c1 2297551962 PMKZXTUTAMFMNF-UHFFFAOYSA-N 498.627 4.783 50 10 JJGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1cc(Br)c(Br)s1 2310046587 IBOFUKNHDPDJFB-BMLSCUAFSA-N 458.013 4.565 50 10 JJGE O=C(N[C@H]1CC[C@@H]2C[C@]12CBr)c1cc(Br)sc1Br 2310667932 GTAUMOMWUBIKSC-UTMSNSNXSA-N 458.013 4.567 50 10 JJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)C(=O)N1CCOCC1 2314478165 HSCCHNNQHZTYQE-UHFFFAOYSA-N 490.563 4.884 50 10 JJGE CCOc1ccc(C=CC(=O)N2CCC(C(=O)Nc3ccc(SC#N)cc3)CC2)cc1OC 2321898905 MRKXWSYTOJMSBR-UHFFFAOYSA-N 465.575 4.558 50 10 JJGE COc1cc(Br)cc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1OC 2323149778 RDUQWKXCERERQC-UHFFFAOYSA-N 456.340 4.590 50 10 JJGE FC(F)(F)CN(CCBr)Cc1cc(I)ccc1Cl 2327397461 PYCPAYADPCAXTA-UHFFFAOYSA-N 456.471 4.704 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccccc2)c(OC)c1 2328821133 MMRDZZSTGWUGEI-MBSDFSHPSA-N 469.582 4.664 50 10 JJGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1cc(Br)ccc1Br 2330898532 AAPSDXFNXAUYTE-QQXRRDQMSA-N 451.984 4.503 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCc2cccc(CC(F)(F)F)c2)C1 2353124631 UWOVQCAYTWRHPS-LSDHHAIUSA-N 485.284 4.731 50 10 JJGE COc1ccccc1C(=O)NNC(=O)[C@@]12CC[C@@](C)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C 33366339 WAHUNWHROYZJLE-LOSJGSFVSA-N 499.398 4.736 50 10 JJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCC)c(OCC)c2)c(OCC)c1 33378386 IVIFNKLMFCUSLY-DTZLACRSSA-N 479.529 4.972 50 10 JJGE CCOc1ccc(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1OC 40910876 DMSMDZIBDLYWPE-WYMPLXKRSA-N 463.372 4.817 50 10 JJGE CCCOc1ccc(/C=N/NC(=O)CCCOc2ccc(C)cc2Br)cc1OC 40951215 WTNAHOUFEZFHSS-BUVRLJJBSA-N 463.372 4.864 50 10 JJGE COc1ccc([C@H](C)NC(=O)/C(C#N)=C\N(Cc2ccccc2)Cc2ccccc2)cc1OC 217172944 WQQGSHRZBSEFTF-QFBZFQIZSA-N 455.558 4.991 50 10 JJGE CCCCCCc1cc2cc(C(C)=NNC(=O)c3ccc([N+](=O)[O-])cc3)c(=O)oc2cc1O 252596251 CHPLGIBGOUPNAH-UHFFFAOYSA-N 451.479 4.684 50 10 JJGE CCOc1ccc(C=NNC(=O)CSCc2ccccc2Br)cc1OCC 252643188 ZTEAVEYWTCFKLP-UHFFFAOYSA-N 451.386 4.630 50 10 JJGE O=C(NN=Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1)c1cccc([N+](=O)[O-])c1 254385583 HAMIFEWILSBHON-UHFFFAOYSA-N 469.460 4.621 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc3ccccc3c2)ccc1OC(=O)c1ccc(C)cc1 254750171 GRBGSZJMQJQPCR-UHFFFAOYSA-N 468.509 4.905 50 10 JJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc4c(c3)OCO4)cc2OC)cc1 254814213 CDFWIQYIVMHDCM-UHFFFAOYSA-N 490.512 4.586 50 10 JJGE C[C@H](Br)CC(C)(C)CNC(=O)c1ccc(I)c(Cl)c1 393550518 CWYSILBTIHNHMJ-VIFPVBQESA-N 458.565 4.874 50 10 JJGE N#Cc1ccccc1COc1ccc(C=NNC(=O)c2ccc(F)cc2)cc1I 1084147611 BPORIIYFQUJQHL-UHFFFAOYSA-N 499.283 4.645 50 10 JJGE COc1ccc(C=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(OC)c1 1084243179 MVHDKXXLMMIZCO-UHFFFAOYSA-N 471.601 4.922 50 10 JJGE COc1ccc(C(=O)NN=Cc2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)cc1 1084473759 OXHBPLVJVJOVRK-UHFFFAOYSA-N 454.489 4.721 50 10 JJGE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNC(=O)c1ccc(OCCC(C)C)cc1 1463691624 IGJTWPNAPFKHSB-UHFFFAOYSA-N 450.457 4.770 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865683252 BLLQMDWVGRRCIL-DEOSSOPVSA-N 494.551 4.848 50 10 JJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc1OCC 1865690977 GJLDRALXMYAHMO-SFHVURJKSA-N 464.488 4.964 50 10 JJGE CCc1ccc(-c2ccc(C(=O)NNC(=O)[C@@H]3CC(=O)N(c4c(CC)cccc4CC)C3)c(C)n2)cc1 1865758709 NCNOVNLTDULGDA-XMMPIXPASA-N 498.627 4.558 50 10 JJGE Cc1oc(-c2cccc(Cl)c2)nc1CC(=O)NC(C)(C)C(=O)Nc1ccc(SC#N)cc1 1866667471 QIOTVTNWBUCETF-UHFFFAOYSA-N 468.966 4.953 50 10 JJGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)ccc1OCCN1CCOCC1 1872784542 SPZMXHXHDIFSRU-LDADJPATSA-N 483.540 4.872 50 10 JJGE CN(C[C@H]1C[C@@H]1Br)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2020201703 ULUNIKZRMUZNKY-NEPJUHHUSA-N 462.182 4.652 50 10 JJGE Cn1nc([C@H](Br)Cc2ncccc2Br)c(Br)c1Cl 2048149219 VLMCRNABGCIQJN-SSDOTTSWSA-N 458.379 4.672 50 10 JJGE O=C(N[C@@H]1CC[C@@H]2C[C@@]21CBr)c1csc(Br)c1Br 2068355073 OHUIFKXMNGZIBF-SLOVDRIHSA-N 458.013 4.567 50 10 JJGE F[C@@H]1CCO[C@@H]1CC(CBr)(CBr)c1ccccc1Br 2122533915 SLAIYQDCPFYLFM-CHWSQXEVSA-N 458.991 4.994 50 10 JJGE CC(C)[S@](=O)(=NC[C@H](CBr)C1CCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2126849693 IVPOAQBMZVBNPV-PAPQREIWSA-N 451.471 4.683 50 10 JJGE CC1(C)C[C@H](CBr)CN1C(=O)c1c(Br)cccc1Br 2127836054 RZBZUQQXLZGUMD-SECBINFHSA-N 454.000 4.847 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@H](Br)[C@@H]2CC[C@H]21 2133722554 JYEBKQYIBYXDBY-PTOFAABTSA-N 451.984 4.600 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1CC[S@](=O)(=NCc2ccc(CBr)cc2)C1(C)C 2182855394 PTUGHVOBYKHPEP-XGCWNURASA-N 459.450 4.873 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1[C@H]2CC[C@@H]1C[C@@H](CBr)C2 2184574624 NKXOXYFYVVBCON-WLLOZRIZSA-N 468.560 4.723 50 10 JJGE C[C@@]1(CNC(=O)c2csc(Br)c2Br)CCC[C@H]1Br 2258798518 JSCCLIAPBDGCHI-PELKAZGASA-N 460.029 4.957 50 10 JJGE CC1CC(CBr)(CN=[S@](C)(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C1 2265306474 SFCAFVXLYGXEFF-RKTCNWFTSA-N 453.487 4.835 50 10 JJGE C[C@H](Br)CN(CC(C)(C)C)C(=O)c1c(F)cccc1I 2288054459 XVDQFSILVVEVKT-JTQLQIEISA-N 456.137 4.702 50 10 JJGE Cc1cc(Br)cc(C(=O)N[C@H](CCBr)COCc2ccccc2)c1 2303547535 WCXCCHLYIQSMAB-GOSISDBHSA-N 455.190 4.858 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@]2(CC[C@](C)(CI)O2)[C@@H]1C(F)(F)F 2303934659 HFAOQPHGMNQIIX-DFBGVHRSSA-N 463.278 4.691 50 10 JJGE Cc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)c1 2314532785 MCVHSJIOIUHTDL-UHFFFAOYSA-N 454.461 4.788 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1 2314611541 WTHAWQZIFNBXSQ-UHFFFAOYSA-N 466.541 4.796 50 10 JJGE CC1(C)[C@H](Br)CCCN1C(=O)c1ccc(Cl)cc1I 2340059744 XMPIWTWKPYYAGL-GFCCVEGCSA-N 456.549 4.723 50 10 JJGE O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1ccc(OCCOc2ccccc2)cc1 14039456 QLJKTRLXIBDOCR-UHFFFAOYSA-N 482.536 4.651 50 10 JJGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1 38654206 SONRTLFCVZHCMU-DEOSSOPVSA-N 471.469 4.821 50 10 JJGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)c1 39858695 XZJOGVOCFLMOIL-JXAWBTAJSA-N 454.461 4.788 50 10 JJGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814614 ZKSOYTHNHQHBQM-ZXVVBBHZSA-N 480.908 4.801 50 10 JJGE CCOc1cc(/C=N\NC(=O)Cc2cc(Cl)ccc2SC)cc(Br)c1O 169922928 HLOPGKRHVKRTSC-FBHDLOMBSA-N 457.777 4.622 50 10 JJGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=Cc3ccccn3)n2-c2ccccc2)cc1 254399998 JBUMNIUDMFTUII-UHFFFAOYSA-N 470.602 4.869 50 10 JJGE CCOC(=O)c1c(C=NNC(=O)c2ccc(N(CC)CC)cc2)c(C)n(-c2ccccc2)c1C 254482023 ZLJQOYQOSABDCD-UHFFFAOYSA-N 460.578 4.881 50 10 JJGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)cc1 254623709 FEBPBWRFLISXBN-UHFFFAOYSA-N 486.557 4.702 50 10 JJGE C[C@@H](Br)C[C@@H]1CCCCCN1C(=O)c1csc(I)c1 311349086 LFSVCPQVPYWWDP-PWSUYJOCSA-N 456.187 4.911 50 10 JJGE C[C@@H]1[C@@H](Cl)C[C@H]2CC[C@H]1N2C(=O)c1cc(I)ccc1Br 686179293 ZIAYOVDTEZXXFS-UMGHXEBTSA-N 468.560 4.674 50 10 JJGE C[C@H]1CCCN(C(=O)c2cc(Br)ccc2I)[C@@H]1CCl 688669110 WLWLHNTVGACIEA-TVQRCGJNSA-N 456.549 4.533 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(F)cc3)cc2)cc1 1084236114 NBZPXTDRCZRQQY-VWLOTQADSA-N 450.510 4.767 50 10 JJGE C=CCN(c1ccc(C(=O)NN=Cc2cccc3ccccc23)cc1)S(=O)(=O)c1ccccc1 1084591905 WGBINQLDMGZINR-UHFFFAOYSA-N 469.566 4.985 50 10 JJGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2-c1ccc(OC)cc1 1865692325 DYGNKEJGTRMSSJ-QHCPKHFHSA-N 474.561 4.849 50 10 JJGE CCCN(CCC)c1cccc(C(=O)N[C@@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)n1 1866598914 GNCCDLMNTHFJNP-NRFANRHFSA-N 485.679 4.771 50 10 JJGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C(=O)C3CC3)CC2)n1 1868301506 QPEOLIIVIDMQKD-UHFFFAOYSA-N 470.602 4.827 50 10 JJGE O=S1(=O)CC[C@H]1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 1899892176 JLSRPTQSDDONNG-IRXDYDNUSA-N 460.187 4.651 50 10 JJGE O=C(NCC[C@@H]1CCC[C@@H]1Br)c1c(Br)cccc1Br 1913756351 XNTBOPSNLRDZEP-UWVGGRQHSA-N 454.000 4.895 50 10 JJGE CC1(C)C[C@@H](Br)CN(C(=O)c2ccc(I)c(Cl)c2)C1 1923163839 MOPQDQRALARFJU-SNVBAGLBSA-N 456.549 4.580 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCc2cc(Cl)cc(Cl)c2)C1 1992071321 OLGSXCVJVGLTCH-KBPBESRZSA-N 472.150 4.933 50 10 JJGE Cc1cc(Br)c(C(=O)N(C)C[C@@H]2C[C@H]2Br)cc1NC(=O)OC(C)(C)C 2076221469 XIKWDKQBEHFYET-WCQYABFASA-N 476.209 4.960 50 10 JJGE C[C@H]1C[C@H](Br)[C@H](C)CN1C(=O)c1cccc(Br)c1Br 2093116583 ZZFVRPIULAUSKA-PTRXPTGYSA-N 454.000 4.846 50 10 JJGE COCC1(CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)CCCCC1 2094486158 FKYZRMXBEVJVCF-HXUWFJFHSA-N 481.415 4.805 50 10 JJGE CC1(C)[C@H](CCl)CCN1C(=O)c1cc(Br)ccc1I 2095204158 GKNLYKWJRNWOND-VIFPVBQESA-N 456.549 4.533 50 10 JJGE O=C(N[C@H]1CCCC[C@H]1CCCl)c1ccc(I)c(Br)c1 2146725467 MUZPYSRINALXGU-HZMBPMFUSA-N 470.576 4.971 50 10 JJGE CN([C@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(F)c(Cl)c(CBr)c1 2179861727 LSCHRPDODNMRDH-ZWKOTPCHSA-N 476.795 4.742 50 10 JJGE Cc1c(Br)cnc2c1nc(CCl)n2[C@@H]1CCOC[C@@H]1OCc1ccccc1 2184922722 OTNMVJPPZZIKEQ-SJORKVTESA-N 450.764 4.788 50 10 JJGE CN(C(=O)c1ccc(Br)cc1I)C1(CCl)CC(C)(C)C1 2207269149 PDKKHZGTNVUKPY-UHFFFAOYSA-N 470.576 4.923 50 10 JJGE CN(C(=O)c1cc(Br)ccc1Br)[C@@H](CBr)CC1CC1 2226158803 AZLONYPYRDXWQC-LLVKDONJSA-N 454.000 4.847 50 10 JJGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@H](Br)[C@H]1CC2 2229867533 GBKWQSKBTUNBQY-XHVZSJERSA-N 498.984 4.584 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1[C@H]2CC[C@H]1CC(CBr)C2 2283665199 URXQMKMNUSPGJI-RYUDHWBXSA-N 468.560 4.723 50 10 JJGE C=CC[C@@]1(CCl)CCN(C(=O)c2ccc(Br)cc2I)C1 2287764593 LHINFVKTWTXCDL-HNNXBMFYSA-N 468.560 4.701 50 10 JJGE CC(C)c1ccc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1 2293972355 GIJSSXNKDZFSHN-UHFFFAOYSA-N 454.574 4.797 50 10 JJGE FC1(F)C[C@@]1(CBr)COc1cc(Br)cc(I)c1 2306898823 FQUIEIKTCJEBFX-SNVBAGLBSA-N 481.900 4.853 50 10 JJGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593052 GLWFVBDTJLZWMG-VWLOTQADSA-N 467.594 4.992 50 10 JJGE BrCC12CCC(CC1)N2Cc1ccc(I)c(Br)c1 2325208510 WEIKZBFWVVLBLE-UHFFFAOYSA-N 485.001 4.946 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2CC(Br)C[C@@H](C2)C1 2338881693 UKGCUBYSLHLEQC-HTQZYQBOSA-N 472.040 4.909 50 10 JJGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 14029904 QCAISXLCKJPQPX-UHFFFAOYSA-N 471.351 4.621 50 10 JJGE CC(C)Oc1ccc(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1Br 14658735 ZSBSPFDBWHYDJQ-UHFFFAOYSA-N 453.336 4.978 50 10 JJGE O=C(CBr)Nc1ccc(Br)cc1C(=O)c1ccccc1Br 28166885 ASLXXDZCJGJTFF-UHFFFAOYSA-N 475.962 4.776 50 10 JJGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OCc1ccccc1C 32519980 ZNGDAWPUXWYNBZ-VULFUBBASA-N 461.543 4.966 50 10 JJGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc21 38649944 SHPMAEIZZYTTCV-QFIPXVFZSA-N 477.314 4.895 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@@H]1c1ccc(Br)cc1 38651837 BNCVCVVWFKUMLG-NRFANRHFSA-N 492.285 4.795 50 10 JJGE O=C(NNc1ncnc(Nc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-])c1ccc(Cl)cc1 40657838 ZZLJIXSLFYAAGQ-UHFFFAOYSA-N 452.780 4.558 50 10 JJGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Oc1ccc2ccccc2c1 40687867 NYRWGISAYMFESW-UHFFFAOYSA-N 470.316 4.833 50 10 JJGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812716 XFBCWPLVMIDGPI-NLRVBDNBSA-N 466.881 4.872 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(C)cc1 40935042 HEOAEVGSYIDYIC-CJLVFECKSA-N 488.540 4.975 50 10 JJGE O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl 48573105 BKJRANADPQVCEO-RPPGKUMJSA-N 490.730 4.955 50 10 JJGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 101338629 FRLFSZVRDDIRIQ-BUVRLJJBSA-N 493.523 4.982 50 10 JJGE COc1cc(C=NNC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1C#N 254442526 WAMPJWHVHVSMKD-UHFFFAOYSA-N 453.420 4.929 50 10 JJGE O=C(N[C@@H](CBr)CC(F)(F)F)c1ccc(Br)cc1Br 717761635 WJFINCVKDVHYQJ-SSDOTTSWSA-N 467.905 4.657 50 10 JJGE COCc1cc(C)nc2sc(C(=O)NN=Cc3cc(Br)ccc3O)c(-n3cccc3)c12 1081099992 ILJKJZDFEZEUPU-UHFFFAOYSA-N 499.390 4.774 50 10 JJGE COc1cc(C=NNC(=O)Nc2ccccc2Cl)ccc1OCc1cccc(C(=O)O)c1 1084086391 MNZIULUVJZZTOH-UHFFFAOYSA-N 453.882 4.781 50 10 JJGE CC(C)(C)SCC(=O)NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 1084105308 ODLUZLJMKHGDLE-UHFFFAOYSA-N 450.391 4.892 50 10 JJGE O=C(NN=Cc1ccccc1OCc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 1084610856 CXZHCUAOYVRWDQ-UHFFFAOYSA-N 454.280 4.700 50 10 JJGE CC(=O)N1CC[C@@H](NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c2ccccc21 1356404779 YCVKHZCQGNZPKA-CINCIDGWSA-N 452.558 4.924 50 10 JJGE O=C(CSc1cc(Oc2ccc(Cl)cc2)ncn1)N/N=C/c1ccc(Br)cc1 1614979707 OMAALQDROHOUAV-YSURURNPSA-N 477.771 4.927 50 10 JJGE CCOc1ccc2cc(C(=O)ON=C3C[C@H]4CC[C@@]3(C)[C@]4(C)CBr)c(=O)oc2c1 1772721830 FELNQJCIUVFERC-KHIBUBOWSA-N 462.340 4.926 50 10 JJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)c1 1865691982 GTFKXQHADZNIPR-FQEVSTJZSA-N 457.317 4.723 50 10 JJGE Cc1ccccc1CCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1867118888 SDUDZWWTJOLOTB-RUZDIDTESA-N 473.598 4.963 50 10 JJGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CCN(C(=O)OC(C)(C)C)CCC1(F)F 1882089431 ZLPUPERQGXARIA-QWHCGFSZSA-N 457.356 4.557 50 10 JJGE FC(F)(F)[C@@H](Br)COc1cc(Br)cc(I)c1 1900986027 OYWLBUVEBOHALP-QMMMGPOBSA-N 473.852 4.758 50 10 JJGE O=C(c1csc(I)c1)N(CCCBr)Cc1ccccc1 1914605395 INILLVZBGHEEAD-UHFFFAOYSA-N 464.166 4.780 50 10 JJGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1F 1914636308 FSEPAOPCDXROJT-GFCCVEGCSA-N 465.182 4.563 50 10 JJGE Cc1cc2nc(CCl)n(-c3cc(Br)ccc3I)c2cn1 1917617701 BYCYLRVQTKHCKP-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE C[C@@H]([C@H](Cl)c1c(Br)sc(Br)c1Br)S(C)(=O)=O 1924580845 VJTZHQVKDXDHCT-DZSWIPIPSA-N 475.449 4.749 50 10 JJGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1nn(C)c(Cl)c1Br 1979584414 GXNUEWIZSCHFTA-LLVKDONJSA-N 463.601 4.652 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 2010826036 VNMZUTQKHCFYTC-QZTJIDSGSA-N 477.737 4.956 50 10 JJGE CCC[C@H](Br)c1cn(-c2ccc(I)cc2Br)nn1 2057426558 GSVIBDCELJYSAG-VIFPVBQESA-N 484.961 4.871 50 10 JJGE CC[C@@H](C)[C@@H](CI)NC(=O)c1ccc(I)c(Cl)c1 2081235702 JDJSDUHFVBQIOU-PRHODGIISA-N 491.538 4.524 50 10 JJGE CN([C@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CCl)c(Br)c1 2100208661 WOSTVZZWWCVCHA-RBUKOAKNSA-N 458.805 4.556 50 10 JJGE C[C@@H]1CC[C@H](CCl)N(C(=O)c2cc(Br)ccc2I)C1 2110618623 YGZXPUXAYFTLRY-MWLCHTKSSA-N 456.549 4.533 50 10 JJGE O=C(c1cc(Br)ccc1I)N1C[C@@H](Cl)CCC12CCC2 2174540715 QUNFKMNWWLJRFD-NSHDSACASA-N 468.560 4.820 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)CCc1c(F)cccc1Br 2242216603 QXRHZEVNPIOBSZ-NSHDSACASA-N 455.121 4.581 50 10 JJGE COC(=O)c1ccccc1NC(=O)C(C#N)=Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 2295459701 OUUKHPMIKDEIBO-UHFFFAOYSA-N 456.498 4.915 50 10 JJGE Cc1cc(C(=O)N[C@@H](CCBr)COCc2ccccc2)ccc1Br 2303548532 FNZKSNWQGKFWJX-KRWDZBQOSA-N 455.190 4.858 50 10 JJGE O=C(N[C@H](CCCl)COCc1ccccc1)c1ccc(Cl)c(I)c1 2303699232 JSNMZDZJPBZYLP-OAHLLOKOSA-N 478.157 4.889 50 10 JJGE BrCC[C@@H]1CCN(Cc2ccc(I)c(Br)c2)C1 2306230760 AYTJSALOKCBJSB-SNVBAGLBSA-N 472.990 4.661 50 10 JJGE COc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2cccc(C)c2C)nc2ccccn2c1=O 2314534143 ZJJXWJOPSWZHQF-UHFFFAOYSA-N 466.497 4.658 50 10 JJGE COc1ccc(CCN2C(=O)C(=CNc3ccc(Cl)c(Cl)c3)C(C)=C(C#N)C2=O)cc1 2314585564 FHLXQAAMVCICCP-UHFFFAOYSA-N 456.329 4.749 50 10 JJGE N#CC(=CNCCc1cccc(Br)c1)C(=O)NC(c1ccccc1)c1ccccc1 2324837728 DSHZWYKZYQJRMC-UHFFFAOYSA-N 460.375 4.894 50 10 JJGE CC(C)OC(=O)c1ccc(C(C#N)=Cc2cc(Br)c(O)c(Br)c2O)o1 2331049675 DGXQQCGOYVDLGA-UHFFFAOYSA-N 471.101 4.845 50 10 JJGE ClC[C@@H]1Cc2ccccc2CN1c1ncc(I)cc1Br 2360263571 WCTLKHKGRSXGJB-ZDUSSCGKSA-N 463.544 4.619 50 10 JJGE O=C(NC[C@H]1CCC[C@@H](CBr)C1)c1ccc(Cl)cc1I 2365586984 RTYHVEXYADDYIC-MNOVXSKESA-N 470.576 4.876 50 10 JJGE CC12CC(C1)[C@H](CO[C@@H](CI)c1ccccc1Br)CO2 2365844783 HCIKTWXVTKHDHQ-MJVOBMLWSA-N 451.142 4.757 50 10 JJGE Cc1ccc2nc(N(/N=C/c3ccc([N+](=O)[O-])s3)C(=O)c3ccc([N+](=O)[O-])o3)sc2c1 9628869 UBYQEHHUJRPRFZ-DJKKODMXSA-N 457.449 4.757 50 10 JJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([C@H](C)CC)cc2)cc1 14029184 KWUJXGRPEFIRRZ-LJQANCHMSA-N 485.650 4.874 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)c(C)c1 34914666 LCHYOFWSVYNXNZ-RNEGFDSTSA-N 470.573 4.839 50 10 JJGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccc(C(C)(C)C)cc4)c(=O)c23)C1 35582936 COVMRBXYDQVYER-AZRODNFASA-N 450.608 4.592 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@H]1c1cccc(Cl)c1 38651145 QFVLTJWPRFUARA-HSZRJFAPSA-N 450.853 4.682 50 10 JJGE O=C(Nc1nnc(CCl)s1)/C(Cc1ccccc1)=C1/SC(=S)N(c2ccccc2)C1=O 39793610 VTHVWSZNYMAYBO-BMRADRMJSA-N 487.031 4.777 50 10 JJGE Cc1cc(Oc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])cc(C)c1Cl 40658370 YKCLTXHAIUPJNN-UHFFFAOYSA-N 492.717 4.967 50 10 JJGE CCCCOc1ccc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2N)cc1 40754842 ILEZTGYZKBUWRV-UHFFFAOYSA-N 471.359 4.501 50 10 JJGE Cc1c(C(=O)NNC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)oc2ccccc12 108625213 DAURGEKLGVKECC-UHFFFAOYSA-N 461.543 4.839 50 10 JJGE COc1ccc(Cl)c(CC(=O)N/N=C/c2ccc(OC)c(OCc3ccc(C)cc3)c2)c1 169921951 WLCNBLGVHZJHNU-JFLMPSFJSA-N 452.938 4.937 50 10 JJGE N#C/C(=C/NC1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217250596 SGDFTLCETKLUII-VKAVYKQESA-N 462.903 4.959 50 10 JJGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/NC(=O)CNc1cccc2ccccc12 253561596 CGUJINRRNILZGW-NDZAJKAJSA-N 466.589 4.886 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C)s3)n2-c2ccccc2)cc1OC 254616653 ALWMRUFUSKOEGY-UHFFFAOYSA-N 493.614 4.564 50 10 JJGE Cc1cc(C(=O)NN=Cc2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)c(C)n1-c1ccccc1 254734605 HFTYDUMNBOXGMY-UHFFFAOYSA-N 472.530 4.707 50 10 JJGE CN(C)c1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1 382705473 FHCIVHAMLOMDSF-UYAOXDASSA-N 464.347 4.540 50 10 JJGE CC1CCC(CBr)(NC(=O)c2cccc(F)c2I)CC1 721663639 CKYMXEZMGJMFFE-UHFFFAOYSA-N 454.121 4.504 50 10 JJGE O=C(NCC[C@@H]1CCOC1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238801 XGQINJNRVUFBBF-AUUYWEPGSA-N 474.932 4.623 50 10 JJGE Cc1nc(-c2ccc(CNC(=O)NNC(=O)c3ccc(Br)cc3Cl)s2)cs1 728956065 LMLBWBNBTJIBEE-UHFFFAOYSA-N 485.816 4.740 50 10 JJGE COCc1cc(C)nc(OCC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)cc2)c1C#N 1083922642 SUFBEUKDAXPFGW-UHFFFAOYSA-N 494.551 4.669 50 10 JJGE COc1ccc(Br)cc1C=NNC(=O)CCCNc1ccc(Br)cc1 1083960933 IMOVZUSKOKBEJT-UHFFFAOYSA-N 469.177 4.563 50 10 JJGE CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NN=Cc2c(F)cccc2Cl)cc1 1084242413 CBLSVBWNTYGACZ-UHFFFAOYSA-N 494.375 4.863 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3cc(C(=O)O)ccc3Cl)o2)cc1 1084267638 JJSJVWZIZKDURT-NRFANRHFSA-N 470.909 4.661 50 10 JJGE COc1ccccc1C=NNC(=O)COc1ccc2cc(Br)ccc2c1Br 1084557536 NBVYZDFSQALFSO-UHFFFAOYSA-N 492.167 4.903 50 10 JJGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(F)cc1)CCC2 1772744681 HFIPLKBCFPPAEW-UHFFFAOYSA-N 477.492 4.627 50 10 JJGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)c1 1865693568 KRDYAMPHBNKVIJ-IBGZPJMESA-N 454.452 4.957 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865708483 AGDPLLCNOWTVBO-QHCPKHFHSA-N 478.508 4.523 50 10 JJGE CC[C@@](C)(NC(=O)[C@@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866701300 JMFAPLJXPWLFHB-JYFHCDHNSA-N 458.587 4.905 50 10 JJGE CCc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 1872744401 QCMAVOKEYOKQPA-ZZEZOPTASA-N 479.558 4.621 50 10 JJGE C[C@H](Br)C[C@H](C)NCc1ccc(I)c(Br)c1 1904336987 CBCWFLUUPHBPKT-IUCAKERBSA-N 460.979 4.705 50 10 JJGE CC[C@H](C)[C@@H](CI)NCc1cc(Cl)ccc1I 2023042300 BEHJPBKORLDIEG-TVQRCGJNSA-N 477.555 4.884 50 10 JJGE FC(F)(F)c1ccc(CBr)c(I)c1I 2060235978 OTSVNPJPHVPXHU-UHFFFAOYSA-N 490.826 4.810 50 10 JJGE C[C@H](Br)[C@H](NCc1cc(Cl)ccc1I)C(F)(F)F 2074728830 BJFJSPDYJVNNIN-WKEGUHRASA-N 456.471 4.749 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC2(CC2)C[C@@H]1CBr 2099153236 OYKFJZGACHMMGP-SECBINFHSA-N 451.984 4.601 50 10 JJGE CCN(CCCCBr)c1ncc(C(F)(F)F)cc1I 2102861479 JEXRGTKEYSHCDG-UHFFFAOYSA-N 451.068 4.706 50 10 JJGE COc1c(Br)cc(C)cc1[C@@H](Br)c1nn(C)cc1Br 2139011448 PGAACNMIGLJWEH-LLVKDONJSA-N 452.972 4.746 50 10 JJGE C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(Cl)c(CBr)c1 2179790879 JWGYMOJOAUFNMQ-MRXNPFEDSA-N 471.848 4.520 50 10 JJGE CN(Cc1cccc(I)c1)c1nc(CCl)ccc1Br 2265527991 LBQCHFDINUNFMF-UHFFFAOYSA-N 451.533 4.824 50 10 JJGE O=C(NCC1(CBr)CC(F)(F)C1)c1c(Br)cccc1Br 2281651278 NLMJUKWYXOBAFJ-UHFFFAOYSA-N 475.953 4.752 50 10 JJGE C[C@@H]1C[C@H](CBr)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2295312258 VUCHTCPEBKEWDK-GHMZBOCLSA-N 468.027 4.776 50 10 JJGE CCOc1cccc(NC(=O)C(C#N)=Cc2cc(Br)c(I)o2)c1 2313556991 QCWPCAOCUQZFDA-UHFFFAOYSA-N 487.091 4.591 50 10 JJGE C=CC[C@H](Br)[C@H]1CCN1C(=O)c1csc(Br)c1Br 2314236001 WMJSBVPXHCYVBL-DTWKUNHWSA-N 458.013 4.827 50 10 JJGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)C(C)=C(C#N)C1=O 2314617779 ANJGBPWWMXPBIX-UHFFFAOYSA-N 496.567 4.565 50 10 JJGE CCC(=CC(=O)N[C@@H](C)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 2321344322 MDGYDAJHFDDQOK-AWEZNQCLSA-N 488.407 4.968 50 10 JJGE Brc1ccc([C@@H](Br)[C@@H]2COC3(CCC3)CO2)c(Br)c1 2338782604 GPSUFPDQTRGIRT-QWHCGFSZSA-N 454.984 4.986 50 10 JJGE Fc1cnc(OCc2cc(I)ccc2Br)c(CCl)c1 2341552354 NNISMVYVEAHEIS-UHFFFAOYSA-N 456.480 4.906 50 10 JJGE C=CCOc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 14665600 HNIHDVZIGXYYMM-UHFFFAOYSA-N 495.373 4.710 50 10 JJGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1 38680213 URRAJFLNAUBDMJ-HSZRJFAPSA-N 464.880 4.990 50 10 JJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc1OC 38680770 BAHMSBQAIQIOCL-RUZDIDTESA-N 454.482 4.697 50 10 JJGE O=C(NNc1ncnc(Sc2cccc3cccnc23)c1[N+](=O)[O-])c1cccc2ccccc12 40658782 OINUIQDCGUZJSD-UHFFFAOYSA-N 468.498 4.994 50 10 JJGE O=C(NNC(=O)c1ccccc1SC[C@H]1CCCO1)c1ccc(-c2ccc(F)cc2)s1 105195679 XRFWITUWCDCHMV-QGZVFWFLSA-N 456.564 4.900 50 10 JJGE CCCn1ncnc1CC(CBr)(CBr)c1cccc(Br)c1 118878830 BGBFCLBVGCXSNU-UHFFFAOYSA-N 480.042 4.721 50 10 JJGE O=C(NC1(CBr)CCCCC1)c1ccc(I)c(Cl)c1 232349248 HKQTULLXPYISSB-UHFFFAOYSA-N 456.549 4.772 50 10 JJGE O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NN=Cc1cccc(Cl)c1Cl 252643811 ZXCQTUGFCXDRKJ-UHFFFAOYSA-N 483.384 4.879 50 10 JJGE CCCn1nc(C)c2c(C(=O)NN=C(C)c3ccc(OC(F)F)cc3)cc(-c3cnn(C)c3C)nc21 254761401 BELOJQYCKXZAAD-UHFFFAOYSA-N 495.534 4.614 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccc3ccccc3n2)cc1OC 254822159 FWWIOPPXZWUSDN-UHFFFAOYSA-N 477.524 4.869 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CCSC[C@@H]1CCBr 689278181 KJSKHRHWBZSPRP-LBPRGKRZSA-N 472.040 4.554 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CCCCC[C@H]1CCl 721622221 REQMTDDPMWKIEM-NSHDSACASA-N 456.549 4.677 50 10 JJGE Cc1occc1C(=O)NC1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 727332648 ISABSUISCJWBOX-RCCKNPSSSA-N 490.991 4.977 50 10 JJGE C[C@@H]1CCC[C@@](CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)(N(C)C)C1 727727773 GMDKYOWUWXPAQC-YDNUDXEPSA-N 479.028 4.651 50 10 JJGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCC 1083903950 DXTRKGQYEZTWNA-LTGZKZEYSA-N 480.406 4.832 50 10 JJGE O=C(NN=Cc1ccc(OCc2ccc(Br)cc2)cc1)c1ccc2c(c1)OCO2 1084655095 GVKWATIDMNYRPI-UHFFFAOYSA-N 453.292 4.521 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1ccc2c(c1)OCCO2 1865698187 MQKTUVQHXZRLMV-XMMPIXPASA-N 480.499 4.727 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(Br)cc1 1865714494 LUCIJFSDPQYCRP-FQEVSTJZSA-N 470.330 4.915 50 10 JJGE COc1ccccc1NCCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866888691 WRGMXJWSOMVMNM-QHCPKHFHSA-N 492.576 4.576 50 10 JJGE Cc1oc(-c2cccc(Br)c2)nc1CC(=O)N[C@@H](C)C(=O)Nc1ccc(SC#N)cc1 1867193431 VKILNDCGBLLGHU-ZDUSSCGKSA-N 499.390 4.672 50 10 JJGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1c(F)cc(F)cc1F 1915300074 LNIPYELKZKLVNV-QGZVFWFLSA-N 450.320 4.714 50 10 JJGE C[C@@H](CCBr)CCN1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1955955774 IWXWSJGALXUXLC-INIZCTEOSA-N 464.445 4.502 50 10 JJGE O=S(=O)(c1cc(CBr)sc1Br)N(Cc1ccccc1)CC(F)F 1984649000 IWXAOGPOQPKXFB-UHFFFAOYSA-N 489.201 4.862 50 10 JJGE BrCCCN(c1ncc(I)cc1Br)C1CCC1 2015756291 CNULILYLKYQJGR-UHFFFAOYSA-N 473.978 4.593 50 10 JJGE O=C(N[C@@H]1CCC[C@H]1CCBr)c1csc(Br)c1Br 2032953312 HFPRPMPFTMGAGN-IONNQARKSA-N 460.029 4.957 50 10 JJGE C[C@H](NC(=O)c1cc(Br)c(Br)s1)[C@H]1CCC[C@H]1Br 2048891010 KKGYHJLNTGLZKO-XLPZGREQSA-N 460.029 4.955 50 10 JJGE FC(F)c1cc(I)c(I)c(CBr)c1 2060237706 RGSZZTKGMODLOK-UHFFFAOYSA-N 472.836 4.728 50 10 JJGE C[C@@H]1CC[C@H](CBr)CN1C(=O)c1cccc(Br)c1Br 2092332415 FGJRTQKRTFWZQO-NXEZZACHSA-N 454.000 4.847 50 10 JJGE C[C@@H](Cl)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2I)C1 2142290145 YOLQIODZBCCOFB-NXEZZACHSA-N 456.549 4.533 50 10 JJGE COc1cc(NC(=O)N2CCC(Br)CC2)c(Br)cc1Br 2162133021 VSLYAKPBIAKOJW-UHFFFAOYSA-N 470.987 4.611 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@@H](CBr)[C@@H](C(F)(F)F)C1 2163357807 FKJZUDIOKDMRBZ-RITPCOANSA-N 499.972 4.919 50 10 JJGE Cc1sc(C)c(S(=O)(=O)N[C@@H](CBr)c2ccsc2)c1Br 2175671399 SCWAEUKKMKOXLX-JTQLQIEISA-N 459.250 4.603 50 10 JJGE Cc1cc(S(=O)(=O)N(C)[C@H]2CC(C)(C)[C@H]2OCc2ccccc2)sc1CBr 2179825365 GJAFBNHYQMJPFN-LPHOPBHVSA-N 472.470 4.956 50 10 JJGE CO[C@H]1C[C@H](Oc2c(Br)cc(Br)cc2CBr)C[C@H]1OC 2187178287 SKLRIVHUQMKNFT-UOJUARBOSA-N 472.999 4.678 50 10 JJGE O=C(c1sccc1I)N1CCC(CBr)(CC(F)F)CC1 2188342226 XJUKKNIUDCXLFP-UHFFFAOYSA-N 478.140 4.625 50 10 JJGE Cc1cc(C(=O)N[C@H](CBr)C2CCCCC2)ccc1I 2207109615 ZIMUUJJTZKIXHF-OAHLLOKOSA-N 450.158 4.673 50 10 JJGE O=S(=O)(c1ccc(F)c(Br)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2224018137 HUFYNAZELBIHRX-SFHVURJKSA-N 491.220 4.953 50 10 JJGE C[C@H]1[C@H](Br)C[C@@H](C)CN1C(=O)c1cc(Br)ccc1Br 2227594455 LXWIRRRZJIMIGO-VYUIOLGVSA-N 454.000 4.846 50 10 JJGE Cc1ccc(I)c(C(=O)N2CC[C@@H](Br)[C@H]2C(C)(C)C)c1 2240902346 YYWZVVHESTUSNO-OCCSQVGLSA-N 450.158 4.624 50 10 JJGE O=C(NCC1(CBr)CC(F)(F)C1)c1cc(Br)c(Br)s1 2266914460 XNJGIAKZECWTMW-UHFFFAOYSA-N 481.982 4.813 50 10 JJGE C[C@@H](Br)CN(CC(C)(C)C)C(=O)c1ccc(F)cc1I 2288062495 VNNVMSNSHNMWPM-SNVBAGLBSA-N 456.137 4.702 50 10 JJGE N#CC(=Cc1cn(Cc2ccccc2)nc1-c1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 2295672272 ICRNCUBYWOOKJO-UHFFFAOYSA-N 462.509 4.550 50 10 JJGE CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 2297551597 SZTANGSXTUIXRK-UHFFFAOYSA-N 480.702 4.964 50 10 JJGE CCOc1cc(C=NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccccc1 2321721646 ZWBDAPGRGSDLHM-JOCHJYFZSA-N 481.593 4.762 50 10 JJGE Cc1cc(I)ccc1NC=C(C#N)C(=O)N(Cc1ccccc1)C(C)C 2324522033 HQSKTSKJDDQMLI-UHFFFAOYSA-N 459.331 4.856 50 10 JJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 12577189 OAJVRAZKNGMBDM-NXEZZACHSA-N 466.148 4.682 50 10 JJGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(C(=O)OC)cc1 38683689 ZLMOWYUCFGBGKO-VWLOTQADSA-N 484.508 4.699 50 10 JJGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccs2)CCC3)cc1 40823715 VUHABWUXZKKGJV-YZSQISJMSA-N 465.531 4.549 50 10 JJGE C[C@@H]1CCC[C@@](CCl)(NS(=O)(=O)c2cc(Br)ccc2Br)C1 96873295 KDYSWMAAJARNMV-QMTHXVAHSA-N 459.631 4.678 50 10 JJGE COc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1COc1ccc([N+](=O)[O-])cc1 98063492 ZFKVWWBOYUHFJR-MKYLKIGJSA-N 457.486 4.967 50 10 JJGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCC)cc2OC)cc1 103647735 GZSXTEVBQGCQJM-NVPQHFGRSA-N 487.556 4.820 50 10 JJGE O=[N+]([O-])c1cccc(/N=N/N(CC(CCl)(CCl)[N+](=O)[O-])c2cccc([N+](=O)[O-])c2)c1 103750171 CRBHDVZDCJTFMP-FMQUCBEESA-N 457.230 4.501 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccccc2OCCC)c(OC)c1 207161068 HCMOSDDYJDOGRM-SXSXNRLRSA-N 462.546 4.926 50 10 JJGE CCOc1ccc(-n2c(SCC(=O)NN=C/C=C\c3ccco3)nnc2-c2ccccc2)cc1 254463874 SXYBXJWRLLXSPP-CGPKCGGDSA-N 473.558 4.834 50 10 JJGE O=C(NN=Cc1ccc(OC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1)c1ccco1 254532247 WIMDHHOOLRVOKC-HXUWFJFHSA-N 453.498 4.591 50 10 JJGE O=C(NN=Cc1cccc(Oc2ccccc2)c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 254698880 HWJUKNFQDCBWOZ-UHFFFAOYSA-N 484.556 4.630 50 10 JJGE CC[C@H](C)N(CCBr)C(=O)c1cc(I)ccc1Br 310991802 ZWLWCEDQVPFMOD-VIFPVBQESA-N 488.989 4.689 50 10 JJGE C[C@H](Br)C[C@H]1CCCCCN1C(=O)c1cccc(I)c1 312949061 KFHCOUQCLTUISG-SWLSCSKDSA-N 450.158 4.850 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cc(Cl)ccc2O)C1 382696841 LDKOVUCPAZPMCC-PBHICJAKSA-N 471.722 4.833 50 10 JJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(F)cc2)c2cc(Cl)cc(Cl)c2)cc1 1084121272 UXSGIXRJCKQLJG-UHFFFAOYSA-N 494.375 4.787 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1 1084580314 YQFKEJIUEHXGAF-OAQYLSRUSA-N 471.897 4.871 50 10 JJGE CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C(=O)Nc1ccc(SC#N)cc1 1860741344 XHNMBCAZPCNJPJ-UHFFFAOYSA-N 451.529 4.742 50 10 JJGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)cc1OCC 1865686951 FXCNCZKESTZBFO-QHCPKHFHSA-N 474.561 4.891 50 10 JJGE CCCNCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@@H]1Br 1887833836 ZKDLABALYBATTF-JQWIXIFHSA-N 456.016 4.873 50 10 JJGE C[C@@H](N)Cc1cc(Br)cc(Br)c1OCC1CC(Br)C1 1887908550 SCYSOGLBYUZKMX-FKTRJACZSA-N 456.016 4.654 50 10 JJGE O=C(c1csc(Br)c1Br)N1[C@H]2CC[C@@H](C2)[C@H]1CBr 2058367088 WUYXACYDWDQOMF-ACLDMZEESA-N 458.013 4.661 50 10 JJGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1ccc(Br)c(CCl)c1 2096845479 JMEWWLMCWLQIBY-UHFFFAOYSA-N 460.821 4.805 50 10 JJGE C[C@H]1CN(Cc2cccc(Br)c2Br)C[C@@H](CCBr)O1 2122794343 SFNKUAZXNVBATR-CMPLNLGQSA-N 456.016 4.586 50 10 JJGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cc(Br)n(C)n1 2141637828 YUPZTRXWXRQIPS-GFCCVEGCSA-N 452.972 4.746 50 10 JJGE Cc1nn(C)c([C@@H](Br)c2cc(Br)cc3c2OCC3)c1Br 2192376976 WWWYIZMVDGWUHJ-LBPRGKRZSA-N 464.983 4.673 50 10 JJGE Cc1nn(C)c(CN(C)c2ccc(CBr)c(Br)c2)c1Br 2192431195 QHZDWZANCWWWGU-UHFFFAOYSA-N 466.015 4.785 50 10 JJGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 2235953278 ZDVAFVBJUPOUCX-AWEZNQCLSA-N 466.319 4.950 50 10 JJGE CS(=O)(=O)c1csc([C@H](Br)c2ccc(Cl)c(I)c2)c1 2268272889 GVLNQSLWHGBOBG-GFCCVEGCSA-N 491.597 4.894 50 10 JJGE O=C(NC[C@H]1CCC[C@H](Br)C1)c1ccc(Cl)c(I)c1 2268349995 ROQRQTSRXKGOJN-ONGXEEELSA-N 456.549 4.628 50 10 JJGE CC[C@@](C)(COC1(CI)CCN(C(=O)OC(C)(C)C)CC1)C(F)F 2299754212 NGHFKGOTKLFRFZ-INIZCTEOSA-N 461.331 4.889 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H]2CC[C@@H](Br)[C@H]2C1 2308265795 HZRNEGQLGWCIMS-BKPPORCPSA-N 458.013 4.519 50 10 JJGE CCCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 2313518579 JVERZEIEWIGMRQ-UHFFFAOYSA-N 460.284 4.700 50 10 JJGE Cn1cc(I)c(C[C@@H](CBr)c2ccc(Br)cc2)n1 2319151749 KDBQXHHURSHEBZ-JTQLQIEISA-N 483.973 4.508 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCC2CCC(C(F)(F)F)CC2)C1 2327996751 RJDOKAIYFCKEOD-HOAMVYINSA-N 477.305 4.795 50 10 JJGE C=CC[C@H](Br)[C@H]1CCN1C(=O)c1cc(Br)cc(Br)c1 2335821551 ODDZBHHMUXDVMB-QWHCGFSZSA-N 451.984 4.766 50 10 JJGE CC1(C)[C@@H](Br)CCCN1C(=O)c1ccc(Cl)cc1I 2340059745 XMPIWTWKPYYAGL-LBPRGKRZSA-N 456.549 4.723 50 10 JJGE C[C@@H](Br)CN(C(=O)c1ccc(Cl)cc1I)C1CCC1 2340060419 CEHFNFAMYLJEMQ-SECBINFHSA-N 456.549 4.723 50 10 JJGE FC(F)(F)[C@@H]1CN(Cc2ccc(Cl)c(I)c2)C[C@H]1CBr 2362381968 ZNXLMQCXEMARLE-NXEZZACHSA-N 482.509 4.950 50 10 JJGE CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 9872812 UBWDSMMZOOWZAD-HUUCEWRRSA-N 480.392 4.841 50 10 JJGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1[C@H](C)CC 14652593 KDCPDSDBLUVUTB-OAHLLOKOSA-N 463.372 4.591 50 10 JJGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)OC(C)C)c3)o2)C1=O 17145910 CXFOWZCAARFZDT-PDGQHHTCSA-N 464.905 4.943 50 10 JJGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc(OC)c1OC 38651344 XSASFUFRSXDVBT-QHCPKHFHSA-N 492.915 4.803 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@H]1c1c(Cl)cccc1Cl 38700544 NOXRXFBFEYPKGG-FCHUYYIVSA-N 495.318 4.957 50 10 JJGE COc1c(C(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)ccc2ccccc12 59158357 JCYGYDMOHPWPLO-WPWMEQJKSA-N 474.538 4.688 50 10 JJGE O=C(NC[C@H]1CCC[C@H]1CBr)c1cc(Br)ccc1Br 161228188 HVOOCCOLHNNOMH-VHSXEESVSA-N 454.000 4.753 50 10 JJGE CCc1ccc([C@@H](C)N/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)cc1 217253837 DCFWSEWCJQWCOB-QLENYVDCSA-N 459.331 4.859 50 10 JJGE CC(=NNC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(NC(=O)c2cccs2)cc1 252627882 SDKWKSRDTNUHCG-UHFFFAOYSA-N 469.566 4.777 50 10 JJGE CC1(C)c2ccccc2N2CCC(=O)N[C@]21/C=C\c1ccc(N(CCCl)CCCl)cc1 254851501 NYHFJYYJQHIJQX-BMGIKKBBSA-N 458.433 4.998 50 10 JJGE Cc1c(I)cccc1-n1c(CCl)nc2cc(Br)cnc21 380431024 MFASUTTWWKHNJN-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CCSC[C@H]1CCBr 689279389 NXRXLIMSGVXGKM-SNVBAGLBSA-N 472.040 4.554 50 10 JJGE Fc1cc2c(cc1I)nc(CCCl)n2CC1CN(Cc2ccccc2)C1 716243762 LCVQVILPQJPDFD-UHFFFAOYSA-N 483.756 4.693 50 10 JJGE O=C(CCc1ccc2c(c1)OCO2)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 1084635476 RGRJSDNRPRQIFA-UHFFFAOYSA-N 477.520 4.568 50 10 JJGE C#C[C@@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C)C1CCOCC1 1461708041 AVPUPMNKWBJUBG-UBXANZILSA-N 456.373 4.853 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc(OC)c1O 1865715099 WAYZHOCRZVPKBA-QHCPKHFHSA-N 498.514 4.678 50 10 JJGE Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)[C@@H](Cc1ccccc1)c1ccccc1 1865844875 BOXLLFVBSIUTAM-QHCPKHFHSA-N 455.583 4.830 50 10 JJGE C[C@H](C(=O)Nc1nnc(CCl)s1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865884663 WEPDPIXAMFSQMU-GSVOUGTGSA-N 488.567 4.514 50 10 JJGE CC[C@@](C)(NC(=O)[C@H](c1ccc(OC)c(OC)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866989832 JAVZXVDDIUMKSB-WIOPSUGQSA-N 469.607 4.940 50 10 JJGE CCCC[C@@H](NC(=O)c1nc(C(F)(F)F)n2ccccc12)C(=O)Nc1ccc(SC#N)cc1 1867285648 BPGDSHKXMDYHPM-MRXNPFEDSA-N 475.496 4.854 50 10 JJGE O=C(N/N=C/c1ccc(OCCN2CCC(C(F)(F)F)CC2)cc1)c1ccc(Cl)cc1 2059968886 PNLHNORRQFKKFF-JFLMPSFJSA-N 453.892 4.757 50 10 JJGE O=C(NCC1CC(Br)C1)c1cc(Cl)cc(Cl)c1I 2076206244 VXRUZXANGDZPAB-UHFFFAOYSA-N 462.940 4.501 50 10 JJGE CC(C)c1ccnc(-n2nc(CBr)c(I)c2C(F)(F)F)c1 2078924089 RAYIDGVNMXAPOI-UHFFFAOYSA-N 474.062 4.909 50 10 JJGE C[C@H]1CC[C@H](CBr)N(C(=O)c2cc(Cl)ccc2I)C1 2110617175 PATLBOKXGPTASG-GXSJLCMTSA-N 456.549 4.580 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccc(C(=O)O)cc1 2294168554 RLFZNDWNWIDENF-UHFFFAOYSA-N 472.497 4.917 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H](Br)C2(CCC2)C1 2295310613 ZFIMIVHRXILLAL-CYBMUJFWSA-N 466.011 4.530 50 10 JJGE Cc1ccc(Br)cc1C(=O)N[C@@H](CCBr)COCc1ccccc1 2303546480 DSVQKNYDHKZAIK-KRWDZBQOSA-N 455.190 4.858 50 10 JJGE C[C@@H](Oc1cccc(Br)c1)C(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1 2314760030 CPXMDGFUBLHKID-MRXNPFEDSA-N 495.329 4.638 50 10 JJGE COCc1ccc(COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)s1 2319541768 MSMBSNREBHAJIG-UHFFFAOYSA-N 481.396 4.616 50 10 JJGE CCOc1cc(C=NNC(=O)COc2ccccc2OC)ccc1OCc1ccccc1Cl 2321706300 TWWSGSIAJWRRJG-UHFFFAOYSA-N 468.937 4.855 50 10 JJGE Brc1ccc(Br)c([C@H](Br)[C@@H]2COC3(CCC3)CO2)c1 2338788998 AGYIGLKMMIJECP-STQMWFEESA-N 454.984 4.986 50 10 JJGE CCN(C[C@@](C)(CI)OC[C@H]1C[C@](OC)(C(F)F)C1)C(=O)OC(C)(C)C 2343097162 JVCVIIDPWYQPGC-XWIAVFTESA-N 491.357 4.514 50 10 JJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 13981590 MDXAHOXSPYKAAL-OAHLLOKOSA-N 459.329 4.654 50 10 JJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c(Br)c1 14832373 LTNCBQVRYGRTAU-YOEHRIQHSA-N 477.399 4.573 50 10 JJGE CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)OC(C)C)=C(C#N)[C@H]1c1cccs1 20898668 DMMVJKGZLYWKQA-FQEVSTJZSA-N 468.600 4.829 50 10 JJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1 38658056 UJXWADNDYBAHBU-HHHXNRCGSA-N 468.509 4.762 50 10 JJGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)o1 38659422 NWFOOWQQSABBPZ-FQEVSTJZSA-N 451.822 4.587 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 58892775 HFPCYNYFGHPMMP-NFCNUSAFSA-N 471.897 4.871 50 10 JJGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)NCCc1ccccc1 210034930 UENQACMDNOPAGH-QJOMJCCJSA-N 476.536 4.576 50 10 JJGE CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)C1=O 214210566 MQFNCLHMWFPFPA-MSXFZWOLSA-N 466.585 4.952 50 10 JJGE CC(=O)c1ccc(NC(=O)/C(C#N)=C\N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 217241473 BAYAJEBCTXMLIW-QLYXXIJNSA-N 464.569 4.642 50 10 JJGE CCOc1cc(C(=O)NN=C(C)c2ccc(NC(=O)C(F)(F)F)cc2)cc(OCC)c1OCC 254300823 PMUJQBLBAPPMKK-UHFFFAOYSA-N 481.471 4.538 50 10 JJGE COc1ccc(-n2c(SCC(=O)NN=C/C=C/c3ccccc3OC)nnc2-c2ccccc2)cc1 254570309 GJSAXQVDNJKYTE-HQNZRIDASA-N 499.596 4.859 50 10 JJGE COc1ccc(C=NNC(=O)c2ccc(-n3cccc3)cc2)cc1CSC1=NCCS1 263628618 AHXZTQAMWDWZRV-UHFFFAOYSA-N 450.589 4.586 50 10 JJGE CC[C@H]1[C@H](CBr)CCN1C(=O)c1cc(Br)c(Br)s1 385745855 VSDUUCYSXYDWTJ-CBAPKCEASA-N 460.029 4.909 50 10 JJGE CC1(C)C[C@@H](Br)C[C@H](NC(=O)c2ccc(F)cc2I)C1 693899985 XUPZHWSJNOOCTM-ONGXEEELSA-N 454.121 4.502 50 10 JJGE CCOc1cc(C=NNC(=O)c2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 1084373268 ZTTYIGNNNKPWNP-UHFFFAOYSA-N 453.882 4.990 50 10 JJGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CN4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)cc1 1084424425 KHLRGBLYAZVHKY-NYULUDCUSA-N 486.616 4.626 50 10 JJGE C=CCn1c(SCC(=O)NNc2ccc3ccccc3n2)nnc1-c1ccc(Cl)cc1 1466588525 FMQXKERGYNUIJD-UHFFFAOYSA-N 450.955 4.568 50 10 JJGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1OC)CCC2 1772745629 DPNQLDJOGYZFQT-UHFFFAOYSA-N 481.936 4.981 50 10 JJGE CC(C)c1ccccc1NC(=O)COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1 1858681096 XUYGHUIOIADSMT-UHFFFAOYSA-N 450.451 4.742 50 10 JJGE COc1ccccc1-c1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(C)n1 1865760421 WVJOEBQXMOQYDF-AWEZNQCLSA-N 474.344 4.601 50 10 JJGE BrCc1cc(Br)cc(Br)c1OC[C@H]1C[C@@]12CCOC2 1894791256 NGRSINOMOGEVEF-QMTHXVAHSA-N 454.984 4.912 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](CCl)C2(CCC2)C1 1914531828 PFEHMRIAIXPNJN-NSHDSACASA-N 468.560 4.535 50 10 JJGE COc1ccc(Br)cc1CN(C)C[C@H](Br)COCc1ccccc1 1916367208 REBGZXVXIITNDN-SFHVURJKSA-N 457.206 4.870 50 10 JJGE C[C@H]1CCCN(C(=O)c2csc(Br)c2Br)[C@H]1CBr 2032956195 MXCUQIXFIWGYML-CBAPKCEASA-N 460.029 4.909 50 10 JJGE Cc1cc(Br)c(F)c(CNCCSSCCNC(=O)OC(C)(C)C)c1 2061269352 AQZYBNLETNEWLC-UHFFFAOYSA-N 453.443 4.892 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H]2C[C@@H](Br)CC[C@H]2C1 2093941936 GMCKPRLVKVXHMS-YIZRAAEISA-N 472.040 4.909 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@@H]2CCC[C@H](Br)[C@H]2C1 2094595515 SDMHDVGRDZYJMS-CIUDSAMLSA-N 472.040 4.909 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CCC[C@](F)(CBr)C1 2101309620 DGVWUVKOEWJUOP-ZDUSSCGKSA-N 457.963 4.551 50 10 JJGE CCCN1CCC[C@H]([C@H](Cl)c2cc(Br)c(Br)s2)S1(=O)=O 2145778778 NMTLRARQDQXXFS-GHMZBOCLSA-N 465.660 4.757 50 10 JJGE O=C(c1csc(I)c1)N1CCC[C@@]2(CBr)CCCC[C@H]12 2165292305 AOFBNOFJHDCNDO-SWLSCSKDSA-N 468.198 4.913 50 10 JJGE C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)CC[C@@H]1CCBr 2172480488 WTNXVTOEXOHRRK-IUCAKERBSA-N 465.660 4.596 50 10 JJGE O=C(NC[C@@H]1C[C@@H](Cl)C12CCC2)c1ccc(Br)cc1I 2207270305 AIYKLJHARROCLI-TVQRCGJNSA-N 468.560 4.581 50 10 JJGE Cc1c(Br)sc([C@@H](Br)c2cnn(C)c2I)c1C 2213627120 ICVGGCLCDKUKHS-QMMMGPOBSA-N 490.002 4.950 50 10 JJGE CC1CCC(CI)(OCCOCCOCCOCc2ccccc2)CC1 2227779252 NNADIWDMHQKLQN-UHFFFAOYSA-N 476.395 4.637 50 10 JJGE Fc1cccc([C@H](CI)OCCOCCOCCOCc2ccccc2)c1 2236088559 ISMSRIVNZFWSRV-NRFANRHFSA-N 488.337 4.568 50 10 JJGE C[C@@H](CCCCCI)NC(=O)c1cc(F)c(Br)cc1F 2282147950 USLLBNZUIIVDEI-VIFPVBQESA-N 460.100 4.841 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H](Br)C2(CCCC2)C1 2283656718 OMGMDZIAUNRNLN-ZDUSSCGKSA-N 468.560 4.724 50 10 JJGE Clc1ccc(CN2CCSC[C@H]2CCBr)c(I)c1 2318542051 VIMRXAQVOOJXAI-GFCCVEGCSA-N 460.606 4.647 50 10 JJGE CC(C)(C)C[C@H](CBr)NC(=O)c1ccc(Cl)cc1I 2340061513 OQMQZHPTZWZIHJ-SNVBAGLBSA-N 458.565 4.874 50 10 JJGE CN(C[C@H]1C[C@H](Br)C1)[C@](C)(C(=O)O)c1cc(Br)c(Br)s1 2379117558 MZIKGLKYFMHVGQ-UPFKWVMWSA-N 490.055 4.678 50 10 JJGE Cc1ccc(NCC(=O)NN=Cc2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1 2899667 JKXYQONSMFBTRL-UHFFFAOYSA-N 466.335 4.539 50 10 JJGE CCCOc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 14647308 JLCWETPBKCCOAO-LLVKDONJSA-N 490.181 4.773 50 10 JJGE Cc1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)c(C)c1 14665501 HFUBWLMISAYJGT-UHFFFAOYSA-N 497.389 4.527 50 10 JJGE COc1ccc(OCc2cccc(Br)c2)c(/C=N/NC(=O)COc2ccccc2)c1 20228832 MDDMFDQRUUQUTB-AFUMVMLFSA-N 469.335 4.566 50 10 JJGE O=C(CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N/N=C\c1cccc(Br)c1 33154859 SDWKWSXURKWYKG-VROXFSQNSA-N 476.680 4.990 50 10 JJGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cn(CC(=O)NCc3ccco3)c3ccccc23)c1 33344881 NGBVGMMLMUIRFC-MOSHPQCFSA-N 452.514 4.713 50 10 JJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1 38650616 DJUAXSHCVOHICL-MHZLTWQESA-N 470.525 4.986 50 10 JJGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCC#N 59304971 FNULIDOFDYMCPN-VULFUBBASA-N 482.334 4.989 50 10 JJGE Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 59500443 QSDAHEABKJYKHY-CFRMEGHHSA-N 482.290 4.649 50 10 JJGE Cn1c(=O)n(C)c2cc([C@H](Br)c3ccc(Cl)s3)c(Br)cc21 109883621 SAGKIJMQGATYLN-ZDUSSCGKSA-N 450.583 4.839 50 10 JJGE O=S(=O)(N[C@H](CBr)c1ccccc1)c1ccc(Br)cc1Cl 136895232 IDVXUYQCBYTTQX-CYBMUJFWSA-N 453.583 4.517 50 10 JJGE COc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OCc1ccc(Br)cc1 169900850 LVHGDHAUPLZHMP-MYYYXRDXSA-N 453.336 4.730 50 10 JJGE Cc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1F 382732933 VMMMZSBETZACJP-QZTJIDSGSA-N 453.295 4.921 50 10 JJGE CC1(C)CO[C@H](C[C@H](Br)c2cc(I)cc3c2OCC3)C1 717148381 IMQDQSIESWLUDC-OCCSQVGLSA-N 451.142 4.867 50 10 JJGE C[C@@H](Br)C[C@@H](C)CNC(=O)c1ccc(I)c(Br)c1 721615542 RMERBPYPKSUWGI-RKDXNWHRSA-N 488.989 4.593 50 10 JJGE O=C(NN=Cc1ccc(I)o1)c1cc(-c2ccccc2)nc2ccccc12 1084344380 PWBSPDCKRGWQAD-UHFFFAOYSA-N 467.266 4.863 50 10 JJGE CC(=NNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1)c1cccs1 1084573635 SJSVRWLKBPQHBH-UHFFFAOYSA-N 455.605 4.607 50 10 JJGE CCN(CC)c1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)cc1 1614701386 DBZPUORFQRLSHN-SJLPKXTDSA-N 458.384 4.918 50 10 JJGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)N4c5ccccc5C[C@@H]4C)c(C)c32)c1 1772748593 BHLWZNGZWMADBA-INIZCTEOSA-N 457.530 4.658 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)cc(Br)c1O 1865688412 RITWFCURILJNOG-FQEVSTJZSA-N 495.377 4.579 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)c1OC 1865701333 SKRYXXVAYYUIMC-MRXNPFEDSA-N 476.842 4.780 50 10 JJGE N#CSc1ccc(NC(=O)CNC(=O)C[C@@H](c2ccc(F)cc2)c2cccc(F)c2)cc1 1868137701 GHVBLQCKFFQGJE-QFIPXVFZSA-N 451.498 4.815 50 10 JJGE N#C/C(=C(/O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2cccs2)cs1 1872751111 YIXCOYUPPLPIMS-ICFOKQHNSA-N 466.500 4.649 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CC[C@@H](Br)C12CCC2 1914418873 JOMBEOXHDDXGAD-MRVPVSSYSA-N 458.013 4.805 50 10 JJGE CC[C@H](CCCBr)NC(=O)c1ccc(I)c(Br)c1 2036518845 UVJVYHIRKOGTAW-SNVBAGLBSA-N 488.989 4.737 50 10 JJGE C[C@@H]1CN(C(=O)c2scc(Br)c2Br)CC[C@@H]1CBr 2046673217 SBMPZLWPQDFCDV-HTQZYQBOSA-N 460.029 4.766 50 10 JJGE C[C@]12CN(C(=O)c3cc(Br)c(Br)s3)C[C@]1(CBr)C2 2046797579 JUTVPHMQVWULFQ-NWDGAFQWSA-N 458.013 4.520 50 10 JJGE C[C@@]12CN(C(=O)c3csc(Br)c3Br)C[C@]1(CBr)C2 2046801756 JGOOQCFHKFCDRU-VXGBXAGGSA-N 458.013 4.520 50 10 JJGE O=C(c1scc(Br)c1Br)N1CCC2(CC(Br)C2)C1 2053752931 RNFCITDRUCIGMX-UHFFFAOYSA-N 458.013 4.663 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNc1ccc(Br)cc1[N+](=O)[O-] 2061268593 WRGYUGXLGQJDOR-UHFFFAOYSA-N 452.396 4.675 50 10 JJGE CC1(C)C[C@@H](Cl)C[C@H](NC(=O)c2ccc(Br)cc2I)C1 2207270674 CVGMPFRQEXRMSF-QWRGUYRKSA-N 470.576 4.970 50 10 JJGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 2242382076 FIJCCJMEECSKAZ-XQQFMLRXSA-N 475.346 4.853 50 10 JJGE C=CC[C@@]1(CCl)CCN(C(=O)c2ccc(I)c(Br)c2)C1 2287747999 NQGHNUAWKXDHDT-HNNXBMFYSA-N 468.560 4.701 50 10 JJGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(C(C)(C)C)cc2)c(OC)c1 2297321343 MXCHCSGCSWAKDL-UHFFFAOYSA-N 485.584 4.923 50 10 JJGE CN(Cc1ccc(I)c(Br)c1)CC(F)(F)CBr 2306221453 IEHZUPDDFNCZOL-UHFFFAOYSA-N 482.932 4.516 50 10 JJGE C=CCc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OC 2313556914 OLGJTRTWLODIJY-UHFFFAOYSA-N 464.363 4.933 50 10 JJGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)OCC 2314774008 NZUGLAFYWPYVIG-UHFFFAOYSA-N 470.547 4.744 50 10 JJGE CN(CC[C@H](Br)c1cccs1)S(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 2340662442 QWNKPFSXPRQRTA-BZSNNMDCSA-N 458.443 4.584 50 10 JJGE CC(C)[C@@H](Br)c1cn(Cc2ccc(I)c(Br)c2)nn1 2349920060 FFLSIUVXCBRITB-CYBMUJFWSA-N 498.988 4.786 50 10 JJGE FC(F)(F)[C@@H]1C[C@]1(CCl)CNCc1ccc(I)c(Br)c1 2377314471 GNHIXSPZXPKOSL-NEPJUHHUSA-N 482.509 4.951 50 10 JJGE CC[C@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 9872680 QKKIASZNLCJKDM-AZUAARDMSA-N 473.573 4.989 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2cccc(C)c2)cc1Br 14640723 WPKUZGBCPJVWQL-UHFFFAOYSA-N 463.372 4.557 50 10 JJGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc([C@@H](C)CC)cc1 14649865 GHLVWARQTQVXLW-INIZCTEOSA-N 477.399 4.982 50 10 JJGE CC/C(=N/NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(OC(F)F)cc1 35341261 VVGSJYXUBKXTOG-MOHJPFBDSA-N 479.530 4.694 50 10 JJGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)c1 38684421 LBBHECARYVMDIP-DEOSSOPVSA-N 471.469 4.821 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@@H]1c1ccc(Cl)cc1 38687754 UZVFPOKGFGQGSU-QHCPKHFHSA-N 470.868 4.884 50 10 JJGE COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1 39858565 LPDORQSULWXALV-SSZFMOIBSA-N 472.888 4.694 50 10 JJGE Cc1c(C(=O)NCc2ccco2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816344 GKYIHKFVKSHEGB-WPWMEQJKSA-N 490.343 4.653 50 10 JJGE C/C(=N\NC(=O)CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccncc1 58991524 URVGOKBIVRPQOZ-XHLNEMQHSA-N 484.629 4.860 50 10 JJGE CCCC(=O)N1CCN(C(=O)/C(C#N)=C2/SC=C(c3ccc(C)cc3)N2c2ccc(F)cc2)CC1 97634552 CFTDQXBWPCJJAT-SLEBQGDGSA-N 490.604 4.892 50 10 JJGE C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C\c2ccc(OCCCC)cc2)c(OC)c1 103746644 ZYPXIPOPHOMGGU-NVPQHFGRSA-N 485.540 4.596 50 10 JJGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1OC 113854932 RHBNZYAUXPEUBN-NRFANRHFSA-N 495.377 4.959 50 10 JJGE CC(C)Oc1c(Cl)cc(/C=N\NC(=O)c2cccn(Cc3ccccc3)c2=O)cc1Cl 169919643 XEQKPDDEVICNIQ-ZMFRSBBQSA-N 458.345 4.755 50 10 JJGE O=C1NCCOc2ccc([C@H](Cl)c3cc(Br)c(Br)s3)cc21 228230734 XVVUHWKEHXGUKC-LBPRGKRZSA-N 451.567 4.724 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(C)c3)n2-c2ccc(OC)cc2)cc1 254398766 CHHUATVSJCDYOX-UHFFFAOYSA-N 487.585 4.502 50 10 JJGE CCOc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2CC)c1O 254483608 JAVXCNHSFNUREH-UHFFFAOYSA-N 481.622 4.609 50 10 JJGE COc1ccc2ccccc2c1C=NNC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 254508002 WUUYSASENTWASK-FQWWBAIZSA-N 492.579 4.836 50 10 JJGE O=C(N[C@@H](CBr)C1CCCC1)c1cc(Br)ccc1Br 386332301 KDHJIUFBPHWLOB-ZDUSSCGKSA-N 454.000 4.895 50 10 JJGE Brc1cc([C@@H]2CCC[C@@H](CI)O2)cc2c1OCCCO2 394248600 SHZVUISELLOXCA-AAEUAGOBSA-N 453.114 4.656 50 10 JJGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CNCCN2S(=O)(=O)c2ccccc2)c1 616639510 QAHUKIRBUCBJER-HSZRJFAPSA-N 460.716 4.586 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(F)cc3)cc2)cc1 1084236113 NBZPXTDRCZRQQY-RUZDIDTESA-N 450.510 4.767 50 10 JJGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772749466 LVXVGPSNJCMNGC-UHFFFAOYSA-N 453.498 4.755 50 10 JJGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865695276 NCPZTWFWZAWSPX-HSZRJFAPSA-N 462.525 4.648 50 10 JJGE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865697091 WVGVZDUBKSVRCI-LJQANCHMSA-N 471.742 4.580 50 10 JJGE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701644 AISNQVYDUKCORZ-GOSISDBHSA-N 459.706 4.954 50 10 JJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865715202 ZAGBGPUMWYRGEP-IBGZPJMESA-N 487.343 4.682 50 10 JJGE CCC[C@H](NC(=O)Cc1nc(-c2cccc(OC)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866673484 DUIQJLKIWCFRTC-NRFANRHFSA-N 478.574 4.698 50 10 JJGE CC(C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)N1C(=O)c2ccccc2C1=O 1872747202 RTBXEKOAKLCAQI-HWCXCKHPSA-N 474.498 4.832 50 10 JJGE COC(=O)c1c(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)sc(/C(C)=C/C#N)c1C 1873427147 IEBWHPKCNBKNFV-RVDMUPIBSA-N 499.548 4.819 50 10 JJGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1F 1915078323 PAKATZYFTCVWFU-CQSZACIVSA-N 479.209 4.953 50 10 JJGE CN(CCN(Cc1ccccc1)S(=O)(=O)Cc1cccc(CCl)c1)Cc1ccccc1 1946827347 NPBGENADNHTRNB-UHFFFAOYSA-N 457.039 4.889 50 10 JJGE C[C@H](Br)C[C@H]1CCCN1c1ncc(I)cc1Br 2015757425 TWRAXYUWEVDXQS-WCBMZHEXSA-N 473.978 4.591 50 10 JJGE Cc1c(Br)sc([C@H](Br)[C@@H]2CO[C@@H]3COC[C@@H]32)c1Br 2040327897 ZWSZAVDTVBGWIJ-FDDDBJFASA-N 461.013 4.679 50 10 JJGE O=C(c1csc(Br)c1Br)N1CC[C@]12C[C@@H](CBr)C2 2061792806 IEYAPMLMYCHERP-HCJPZQEFSA-N 458.013 4.663 50 10 JJGE C[C@@H](CCCBr)CNC(=O)c1ccc(Br)cc1I 2086150216 XYKGZWFXXOIVJD-VIFPVBQESA-N 488.989 4.595 50 10 JJGE COc1ccc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(CCCl)c1 2095885060 JMLIIILWGUIAOT-UHFFFAOYSA-N 487.065 4.799 50 10 JJGE O=S(=O)(c1cc(CCl)ccc1Br)N1CCC[C@@H](OCc2ccccc2)C1 2129815228 WKCGEWVYGURERZ-QGZVFWFLSA-N 458.805 4.558 50 10 JJGE CC1(C)CC[C@H](CCl)N1C(=O)c1cc(Br)ccc1I 2140846437 YHEFOTWVNVPXJV-SNVBAGLBSA-N 456.549 4.676 50 10 JJGE C[C@@H]1CC[C@](CCl)(NC(=O)c2ccc(Br)cc2I)C1 2142282919 JUWFIDMHXHYJAI-OTYXRUKQSA-N 456.549 4.581 50 10 JJGE CCCN1CCC[C@H]([C@@H](Cl)c2cc(Br)c(Br)s2)S1(=O)=O 2145778780 NMTLRARQDQXXFS-MNOVXSKESA-N 465.660 4.757 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1[C@H](CBr)C[C@@H]2CCC[C@H]21 2164654506 AKZRNEAOQIJYMY-NURSFMCSSA-N 468.560 4.723 50 10 JJGE Cc1cccc(C(=O)N(C)[C@H]2CCCCC[C@H]2Br)c1I 2172548837 WWVVYEPNNUUICR-KGLIPLIRSA-N 450.158 4.768 50 10 JJGE O=C(c1cc(Br)ccc1I)N1C[C@H](Cl)C2(CCCC2)C1 2174368149 IUYIMADEIGROBP-ZDUSSCGKSA-N 468.560 4.677 50 10 JJGE C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(CBr)c2Cl)CCN1Cc1ccccc1 2179833589 CSQIXCNSHJIRBO-AWEZNQCLSA-N 492.266 4.783 50 10 JJGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)Cc1cccc(Br)c1 2210632755 ILGMJOYKBSRZRA-AWEZNQCLSA-N 461.219 4.565 50 10 JJGE Brc1cnc(N2CC[C@@H]3[C@@H](Br)CCC[C@H]3C2)c(Br)c1 2225463349 ZFAKJBMIDNCMEC-DLOVCJGASA-N 453.016 4.997 50 10 JJGE Cc1c([C@H](Br)c2ccc3c(c2Br)CCO3)nn(C)c1Br 2238070581 GAUOVIMIAXWTSM-GFCCVEGCSA-N 464.983 4.673 50 10 JJGE Cc1ccc(I)c(C(=O)N2CCC[C@H]2C(C)(C)CBr)c1 2240925382 PCUYKQOPBHNMFF-AWEZNQCLSA-N 450.158 4.625 50 10 JJGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3cccc(C)c3)nc3c(C)cccn3c2=O)cc1 2296720338 SHWHLPJUAXASDT-UHFFFAOYSA-N 466.497 4.658 50 10 JJGE N#CC(=Cc1ccc(OC(=O)COc2ccc(Cl)cc2Cl)cc1)C(=O)NCc1ccco1 2314755134 VCKNHYWFGPYXIW-UHFFFAOYSA-N 471.296 4.794 50 10 JJGE ClCc1csc(COCc2ccc(I)c(Br)c2)n1 2325377320 VPZHSUQMBCUOHE-UHFFFAOYSA-N 458.546 4.966 50 10 JJGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccccc2F)cc1 2328826199 VXGBBDNJIFYEQB-NRFANRHFSA-N 475.586 4.501 50 10 JJGE CC1CCC([C@H](CBr)NC(=O)c2sccc2I)CC1 2351619597 GCHVCLVNELPZGV-CBINBANVSA-N 456.187 4.672 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2CC(Br)C[C@@H](C2)C1 2364149906 YXXQNUJKZYRSMV-NXEZZACHSA-N 466.011 4.847 50 10 JJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)C2CCCCC2)cc1Br 14641151 ZDIQKINKXQUUKS-UHFFFAOYSA-N 484.460 4.624 50 10 JJGE COc1ccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1COc1cccc2cccnc12 20258626 DFECUHAXQJRLNX-WSDLNYQXSA-N 493.519 4.774 50 10 JJGE CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)c1C 24001457 AZSZDCKJMBAVFI-JZQBQCRLSA-N 461.518 4.941 50 10 JJGE COc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccccc3)C(=O)N2c2ccccc2)cc1 33760377 YTRPFSYWQBYOIH-GPSDDGMOSA-N 455.539 4.760 50 10 JJGE CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(NC(=O)[C@H](Cl)c3ccccc3)c2)NC(=O)N1C 35707610 CCCFPMSDKMHRJV-NHCUHLMSSA-N 455.942 4.527 50 10 JJGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)c1 38684509 XDTVEVZRAUIVCI-RUZDIDTESA-N 454.482 4.697 50 10 JJGE Cc1ccc(C(C)C)c(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)c1 40929340 DOEBDOYDAAGLRQ-KGENOOAVSA-N 458.514 4.919 50 10 JJGE CCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)cc1OCC 40947762 PITHCGHWPMDTMF-OEAKJJBVSA-N 456.593 4.635 50 10 JJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1=O 101335895 RZOZUSDCFGESHB-LFVJCYFKSA-N 484.531 4.697 50 10 JJGE O=c1[nH]c2cc(Br)c([C@H](Br)c3ccc(Br)cc3)cc2[nH]1 109884191 OOERANMYQWAQDE-CYBMUJFWSA-N 460.951 4.866 50 10 JJGE COc1ccc(Cc2nc3cc(C(=O)N/N=C\c4cccc(C(F)(F)F)c4)ccc3[nH]2)cc1 169925507 MKBXURCZWGEVOT-MUXKCCDJSA-N 452.436 4.945 50 10 JJGE COc1ccc(-c2csc(-c3ccc(CNC(=O)[C@@H](C)Br)cc3)n2)cc1OC 170511875 QVLANOOKAJIIJA-CYBMUJFWSA-N 461.381 4.894 50 10 JJGE COC(=O)c1c(NC(=O)[C@@]23CC[C@@](C)(C(=O)[C@@H]2Br)C3(C)C)sc2c1CCCC2 256019020 GRWCMDXWQSJALU-SZFUDVHCSA-N 468.413 4.511 50 10 JJGE O=C(NC[C@H]1CCC[C@@H](CCl)C1)c1cc(I)ccc1Br 312507908 RQGNGCUFJNZGEI-MNOVXSKESA-N 470.576 4.829 50 10 JJGE Oc1cc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)ccc1Br 382677548 YWNSZBZMOFXIEI-HOTGVXAUSA-N 472.164 4.805 50 10 JJGE COc1cc(C[C@H](Br)c2scc(Br)c2Br)ncn1 705465755 ROMAHRDPKIIFRN-ZETCQYMHSA-N 456.985 4.750 50 10 JJGE BrCC(CBr)(CCN1CCSCC1)c1ccc(Br)cc1 706370367 DXCFMVQHODESOX-UHFFFAOYSA-N 486.111 4.916 50 10 JJGE O=C(N[C@H](CCBr)C1CCCCC1)c1ccc(I)cc1 725037968 RMTJDRJAXYNUIN-OAHLLOKOSA-N 450.158 4.755 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2CN2CCCC2=O)c(C)n1-c1ccc(F)cc1 914574163 FKBYSPKPJHCWLZ-IWIPYMOSSA-N 470.548 4.579 50 10 JJGE C[C@@H](NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 917700046 GIYKXTWDPHUOAU-PUMYGXPMSA-N 474.908 4.810 50 10 JJGE CCc1cccc(NC(=O)COC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1 1317691550 FBIDGLSSGRAIBI-ZHZULCJRSA-N 487.947 4.768 50 10 JJGE C/C(=C\C(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1)c1ccccc1Cl 1442533766 OOYOBRFRXKPMFL-UGOOHZPOSA-N 459.977 4.518 50 10 JJGE COc1cccc(O[C@H](C)C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 1772755705 CXHSRMVJYUYJLS-QGZVFWFLSA-N 468.937 4.854 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)cc1O 1865681782 WWPOUPYJHNSRDJ-IBGZPJMESA-N 464.403 4.674 50 10 JJGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 1865712732 GJXCMCLBEUTWFA-JOCHJYFZSA-N 465.469 4.674 50 10 JJGE CCCC(CBr)(CBr)Cc1nn(C)c(Cl)c1Br 1947495563 FJBLKFJBWWHXQM-UHFFFAOYSA-N 451.428 4.955 50 10 JJGE C[C@@H]1CCCN(c2ncc(I)cc2Br)[C@@H]1CCBr 2069529318 POGXTYKYUFWBNM-BXKDBHETSA-N 488.005 4.839 50 10 JJGE CC1(C)[C@@H](NC(=O)c2cc(Br)sc2Br)CC[C@H]1Br 2086023657 GLUYYAUMGVWIOY-SFYZADRCSA-N 460.029 4.955 50 10 JJGE Cc1sc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)[C@H]1COC(C)(C)C1 2123241781 NZNKDSYNJIQLGT-MRXNPFEDSA-N 458.443 4.710 50 10 JJGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CCCS(=O)(=O)C2)c1Br 2138862964 KVOYCASMIUSLOF-RNCFNFMXSA-N 475.040 4.781 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1[C@H](CBr)C[C@@H]2CCC[C@H]21 2164656935 RQHSSBMAOPYLRG-NURSFMCSSA-N 466.011 4.990 50 10 JJGE C[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)CC[C@@H]1CCCl 2172462528 FESQBIMZONCQQM-MNOVXSKESA-N 470.576 4.781 50 10 JJGE C[C@@H](CCCCCI)NS(=O)(=O)c1ccc(Br)cc1Cl 2174525902 FQWBTKSHVVNSHC-JTQLQIEISA-N 494.620 4.765 50 10 JJGE C[C@H]1COc2ccc([C@H](Br)c3cc(I)sn3)cc2OC1 2176537428 IDKOCLQNIBAJDO-RTHLEPHNSA-N 466.138 4.639 50 10 JJGE C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(CBr)ccc2Cl)CN1Cc1ccccc1 2179787965 WAQPEJHKDCPVMM-QAPCUYQASA-N 471.848 4.518 50 10 JJGE O=C(c1ccc(Br)cc1I)N1[C@H]2CCC[C@H](Cl)[C@H]1CC2 2207265291 PFPKVKMVPFRXLW-VHRBIJSZSA-N 468.560 4.818 50 10 JJGE CC(C)(C)OC(=O)N1CC([C@H]2CCCCN(CCCCCI)C2)C1 2214697512 QWQYKZVWNHXKNS-INIZCTEOSA-N 450.405 4.561 50 10 JJGE O=C(c1sccc1I)N1[C@H](CBr)C[C@@H]2CCCC[C@H]21 2232011445 UAUOJNJJXNWXNP-JBLDHEPKSA-N 454.171 4.521 50 10 JJGE O=C(c1csc(I)c1)N1C[C@H](Br)C[C@@H]2CCCC[C@H]21 2264821508 FONVDEKFQYHRNO-MVWJERBFSA-N 454.171 4.521 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN=c1cc[nH]c2ccc(Br)cc12 2269873392 GYPONNWPWGCYPC-UHFFFAOYSA-N 458.447 4.737 50 10 JJGE C[C@@]1(CNC(=O)c2cc(I)ccc2Br)CCC[C@@H]1Cl 2271304112 ZPCACEDBFGBYCU-JSGCOSHPSA-N 456.549 4.581 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H]2CCC[C@@]2(CBr)C1 2283661393 AJLCPULSGQHVSD-XHDPSFHLSA-N 468.560 4.582 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)N2CCCC2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 2297382040 RCGPJWSDRINZRB-UHFFFAOYSA-N 487.478 4.651 50 10 JJGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(C)c(C)c1 2314593832 ULXWYGXQDZMKLN-NRFANRHFSA-N 451.979 4.685 50 10 JJGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(CC)cc1 2314594082 YVPBQKBDBXYGBF-OAQYLSRUSA-N 451.979 4.631 50 10 JJGE CCOc1ccc(C=C(C#N)C(=O)N(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)cc1OC 2314777837 XJGBQDBTZFWWSY-UHFFFAOYSA-N 490.581 4.985 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H](C)S(C)(=O)=O 2317428027 CHLKQUXIBUVBHC-RCOVLWMOSA-N 466.992 4.528 50 10 JJGE CCn1cc(C=NNC(=O)c2cccn(Cc3ccc(C(C)(C)C)cc3)c2=O)c2ccccc21 2323662368 VAEVLKMHYZMXNY-UHFFFAOYSA-N 454.574 4.933 50 10 JJGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc(NS(C)(=O)=O)cc2)n1 2331410901 OVOHXRKGDFREBR-UHFFFAOYSA-N 461.952 4.793 50 10 JJGE CC[C@]1(C)[C@H](Cl)CCN1C(=O)c1ccc(Br)cc1I 2336760159 WURNPKIXHPGWJG-TZMCWYRMSA-N 456.549 4.676 50 10 JJGE CCCO[C@@H]1[C@H](Br)C[C@H]1OCc1cc(I)ccc1Cl 2352249799 YRMGSQUNCISMTH-MRVWCRGKSA-N 459.549 4.792 50 10 JJGE O=S1(=O)C[C@H]2C([C@@H](Cl)c3c(Cl)cc(Br)c(F)c3Br)[C@@H]2C1 2362233752 AOIGRBSZPWHMCH-RDSNPXOSSA-N 466.981 4.575 50 10 JJGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1cccc(C)c1C 14648394 CLDBZXDRFVODTR-UHFFFAOYSA-N 477.399 4.865 50 10 JJGE CCC(C)(C)c1ccc(OCCCC(=O)Oc2ccc(/C=C(\C#N)C(N)=O)cc2OC)cc1 33374711 ROHIIEDXJRDMRV-XDJHFCHBSA-N 450.535 4.540 50 10 JJGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1Sc1cccc2cccnc12 40793552 FFRMLGDDMZNLCH-UHFFFAOYSA-N 457.346 4.822 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCCc2ccccc2)c(Br)cc1OC(C)C 96504369 VKGUMZSWIQCDNG-UNOMPAQXSA-N 457.368 4.901 50 10 JJGE C[C@H](Br)C(C)(C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 145749329 ZYBIDYIYODRRPM-LURJTMIESA-N 454.011 4.596 50 10 JJGE CC(C)C[C@@H](Br)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 226269427 WUFQNSZHWJPXHQ-SECBINFHSA-N 468.038 4.844 50 10 JJGE C[C@H](CBr)CCCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 228311914 CAGNQBRQCMTCDO-QMMMGPOBSA-N 468.038 4.845 50 10 JJGE CCc1ccc(OCC(=O)NN=Cc2ccc(SCC(=O)Nc3c(C)cccc3C)o2)cc1 1084067024 JLUVJJXIZPJURD-UHFFFAOYSA-N 465.575 4.719 50 10 JJGE O=C(CN1CCOCC1)NN=Cc1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1 1084550651 JJDLRYHHSZORFM-UHFFFAOYSA-N 472.372 4.508 50 10 JJGE C=CCC[C@@H](NC(=O)NNC(=O)C(F)(F)Oc1ccccc1)c1ccc(C(F)(F)F)cc1 1478271850 GCKWVCCNLUNBAV-QGZVFWFLSA-N 457.399 4.715 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc([N+](=O)[O-])c(F)c2)C1 1614632311 HEXHQJMRUVZKTN-HOTGVXAUSA-N 484.265 4.521 50 10 JJGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(N(C)C)cc1)C(C#N)=C(N)O2 1865683755 OSCLGNYOYJHSOL-OAQYLSRUSA-N 454.361 4.831 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(Cl)cc1Cl 1865685951 OOPZASNEBFFLGI-CQSZACIVSA-N 452.223 4.811 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc1OCC 1865687518 SWTMEXSHMDUPEE-JOCHJYFZSA-N 450.926 4.850 50 10 JJGE Cc1ccc(S(=O)(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872746482 JYYQQRWEEKNAIF-ZPHPHTNESA-N 490.404 4.652 50 10 JJGE O=C(NCC[C@H]1CCC[C@H]1Br)c1cc(Br)sc1Br 1913721873 RSLCWIAREBLSOW-VXNVDRBHSA-N 460.029 4.957 50 10 JJGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)ccc1[N+](=O)[O-] 2013180204 WDDYWTVTYMSVCV-GFCCVEGCSA-N 456.134 4.783 50 10 JJGE O=C(c1cccc(Br)c1Br)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2164646439 AWDZRLZUFBZZCK-KWBADKCTSA-N 466.011 4.990 50 10 JJGE O=S(=O)(c1cc(Cl)cc(CBr)c1Cl)N1CCC(=CBr)C1 2179832538 LXWWUFWFWSKFAD-UHFFFAOYSA-N 464.006 4.562 50 10 JJGE O=S(=O)(c1cc(Cl)cc(CBr)c1F)N1CCC[C@H](OCc2ccccc2)C1 2186388183 AYTJEPUHZTUEJQ-KRWDZBQOSA-N 476.795 4.744 50 10 JJGE C[C@@H](CO[C@](C)(CI)c1ccccc1Br)N1CCCC1 2186729088 NOCVBGNCDTVSGC-XJKSGUPXSA-N 452.174 4.600 50 10 JJGE O=C(NC[C@@H]1CCCC[C@@H](Cl)C1)c1ccc(Br)cc1I 2207269609 UOJRXCUPXYDZOH-ZYHUDNBSSA-N 470.576 4.971 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 2218414559 TUWOTFORZPZEGZ-GBESFXJTSA-N 489.748 4.908 50 10 JJGE Cc1ccc(C(=O)NC[C@H]2CCCC[C@H](Br)C2)cc1I 2232828645 SDQNYBLOXNFKRR-JSGCOSHPSA-N 450.158 4.673 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CCC[C@@H](CCBr)C1 2268348258 NOTGCQGCBCWXNU-JTQLQIEISA-N 456.549 4.582 50 10 JJGE C[C@H](Br)CN(CCC(C)(C)C)C(=O)c1cccc(I)c1 2288049957 UUVIWQMNVDNPRE-LBPRGKRZSA-N 452.174 4.953 50 10 JJGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(OC)cc3)nc3c(C)cccn3c2=O)cc1 2296719362 ILQXRRXIQBNODP-UHFFFAOYSA-N 496.523 4.748 50 10 JJGE CCOc1cc(Br)c(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 2313681135 MFTNSNPHXFWIFF-UHFFFAOYSA-N 460.284 4.700 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)cc2CC)cc1 2314789537 CFCCOGOKWCVAKP-UHFFFAOYSA-N 485.378 4.819 50 10 JJGE COc1cc(Br)ccc1C(=O)N[C@@H](CCBr)COCc1ccccc1 2320359383 BVVNHYWOZNUIFD-INIZCTEOSA-N 471.189 4.558 50 10 JJGE CCCOc1ccc(C=NNC(=O)c2cccn(Cc3ccc(Cl)c(Cl)c3)c2=O)cc1 2323651845 LCBWTLCQYRBXBR-UHFFFAOYSA-N 458.345 4.756 50 10 JJGE N#CC(=C(O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331240211 IRQPTLQYQGQZIP-UHFFFAOYSA-N 486.509 4.686 50 10 JJGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@@H]1C[C@@H]1Br 2332464007 YUUKOTMLKPZOHO-CSMHCCOUSA-N 457.512 4.863 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1OCCO[C@H]1C 2339650463 GJISENSPPKUFSM-CQOUMUIBSA-N 460.963 4.899 50 10 JJGE CCN(C[C@@](C)(CI)OCc1cnc2c(c1)CCC2)C(=O)OC(C)(C)C 2342218149 MUGZGFUWMWKDDE-HXUWFJFHSA-N 474.383 4.538 50 10 JJGE C=CC[C@@H](Br)[C@@H]1CCN1c1ncc(C(F)(F)F)cc1I 2360981578 PZDAAEVAWCVYNX-KOLCDFICSA-N 461.063 4.623 50 10 JJGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)COc1ccc2ccccc2c1Br 13980323 GZEJGKPSTDBODE-INIZCTEOSA-N 485.378 4.721 50 10 JJGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1 14037225 VDJZCJUFJUIIEN-UHFFFAOYSA-N 476.023 4.929 50 10 JJGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Br)c1 38651471 XZSLUPXMYXFYID-XMMPIXPASA-N 491.341 4.960 50 10 JJGE O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)NNC(=O)c1ccccc1Br 39852951 VUYSLVLQIOCHDV-UHFFFAOYSA-N 495.352 4.915 50 10 JJGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811965 HFIPLKBCFPPAEW-ZTKZIYFRSA-N 477.492 4.627 50 10 JJGE COc1cc(/C=N\NC(=O)Nc2ccc(Cl)cc2)cc([N+](=O)[O-])c1OCc1ccccc1 169939535 YJOUSHNXMZANDE-CFRMEGHHSA-N 454.870 4.991 50 10 JJGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)OCC 206981876 NZUGLAFYWPYVIG-LGMDPLHJSA-N 470.547 4.744 50 10 JJGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2)cc1OC 207091413 YBJHCEFNBCCLMQ-MACKFOCBSA-N 492.572 4.553 50 10 JJGE CCCCOc1ccc(C(CC)=NNC(=O)[C@@]2(C)CC2(Br)Br)cc1 252641501 ZDNGYEJDQVMURK-QGZVFWFLSA-N 460.210 4.992 50 10 JJGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=Cc1ccc(O)cc1O 254294917 QPSSMBMWEUFUCF-UHFFFAOYSA-N 482.612 4.637 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2ccccc2C)cc1 254450403 UTGRAFGEXCHKQT-UHFFFAOYSA-N 481.556 4.725 50 10 JJGE C[C@H](Br)C[C@@H]1CCCN1C(=O)c1cc(Br)ccc1Br 382121453 UXEOURHOBSKQIC-ONGXEEELSA-N 454.000 4.990 50 10 JJGE CC[C@H]1[C@H](CBr)CCN1c1ncc(C(F)(F)F)cc1I 686106307 ISMFUJHLTORGDM-KWQFWETISA-N 463.079 4.705 50 10 JJGE C[C@@H]1CC[C@H](CCl)CN1C(=O)c1cc(I)ccc1Br 688696137 LMVVEVJCDAYYOS-NXEZZACHSA-N 456.549 4.533 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc([N+](=O)[O-])cc2F)C1 725415522 LOYXCHAQUPJGKD-PBHICJAKSA-N 484.265 4.521 50 10 JJGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865689314 PGJAUXDLPRKXJS-DEOSSOPVSA-N 474.561 4.849 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865699319 QKXRKKXUEYXDDA-QFIPXVFZSA-N 471.948 4.817 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1865699931 GWMCUZDDZMPJOM-QFIPXVFZSA-N 469.932 4.874 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1OC 1872745682 YCEUDXGNHJZTCK-WBVCGYLZSA-N 489.553 4.941 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccccc4C3=O)n2)cc1Cl 1872757847 YVWJHARUFXNMAC-SDXDJHTJSA-N 451.891 4.561 50 10 JJGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C[C@@H](Br)C1 1886113910 HCVUGDKTBDMMOQ-JGDUNROCSA-N 485.422 4.982 50 10 JJGE CCS(=O)(=O)C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 1899852282 ORFFRMADHXQGAG-MRXNPFEDSA-N 462.203 4.899 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 1908357221 FYCSGDBTEOPMFM-RCCFBDPRSA-N 475.721 4.660 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CC[C@]2(CCC[C@H]2Cl)C1 1918919047 APSRJTMBFOHDDC-UKRRQHHQSA-N 468.560 4.677 50 10 JJGE CC[C@H](C)[C@H](CI)NC(=O)c1cc(Br)c(Br)s1 2023038206 SRJZZYBZRPHMIJ-XPUUQOCRSA-N 495.018 4.853 50 10 JJGE C[C@@H]1CC[C@@H](CCl)N(C(=O)c2cc(Br)ccc2I)C1 2110618622 YGZXPUXAYFTLRY-KOLCDFICSA-N 456.549 4.533 50 10 JJGE CC(C)(C)OC(=O)Nc1ccc([S@](C)(=O)=NCC2(CBr)CCOCC2)cc1 2163063628 QPWJKMBWBFLBLN-MHZLTWQESA-N 461.422 4.682 50 10 JJGE CC[C@H](Br)[C@H]1CCCCN1C(=O)c1cccc(C)c1I 2170618024 YBPGBAZECPQYKH-UONOGXRCSA-N 450.158 4.768 50 10 JJGE CN(C(=O)c1cc(Cl)ccc1I)C1(CBr)CCSCC1 2171182457 QSIFWGGFYIMJPW-UHFFFAOYSA-N 488.616 4.677 50 10 JJGE CS(=O)(=O)C1([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)CCC1 2201622133 RSVSRVBQCQDDLK-NSHDSACASA-N 452.542 4.784 50 10 JJGE CCC[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@H]1CCl 2205704578 RLWKTFCHTHCPNU-NWDGAFQWSA-N 470.576 4.781 50 10 JJGE Cc1cc(C(=O)NC[C@H]2CCCC[C@H]2CBr)ccc1I 2207108607 XMOVGIGZKPJICX-UONOGXRCSA-N 450.158 4.531 50 10 JJGE Cc1sc(C[C@H](Br)CN2C(=O)c3ccccc3C2=O)c(Br)c1C 2209324778 UGCJLHJJJABFNK-NSHDSACASA-N 457.187 4.730 50 10 JJGE Cc1ccc(C(=O)N2CCC[C@H](C)[C@H]2CCBr)cc1I 2232832635 FDRAVTLPPIJULN-SWLSCSKDSA-N 450.158 4.625 50 10 JJGE C[C@@H]1C[C@H](CBr)CCN1C(=O)c1ccc(Cl)c(I)c1 2268348999 FHWYQXBTIXFGLJ-NXEZZACHSA-N 456.549 4.580 50 10 JJGE BrC[C@@H]1CC[C@H]2CN(Cc3cccc(Br)c3Br)C[C@@H]2O1 2289347186 IHMGGBYPOPMISW-JKOKRWQUSA-N 468.027 4.586 50 10 JJGE O=C(c1scc(Br)c1Br)N1CCC(CCl)(C(F)F)CC1 2289939146 QMQVJAZAHSBOLQ-UHFFFAOYSA-N 451.558 4.999 50 10 JJGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(Br)cc2F)cc1Br 2297551384 HBFNNEXECMXWQA-UHFFFAOYSA-N 454.093 4.905 50 10 JJGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cccc(Br)c1F 2303549290 RZNCONKGGPBLQZ-CQSZACIVSA-N 459.153 4.688 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OC 2313518185 QKVLJJBBOKZOMQ-UHFFFAOYSA-N 476.314 4.861 50 10 JJGE CCOc1cc(C=C2C(=O)N(CCOC)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314618593 QDMLHODZHZCGGZ-UHFFFAOYSA-N 480.948 4.556 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCCOc1ccc(C)cc1 2314737090 LDUCYGNHXFTFPS-UHFFFAOYSA-N 484.552 4.992 50 10 JJGE CC(C)CNC(=O)c1cc2ccc(OC(=O)C(C#N)=Cc3ccc(C(C)C)cc3)cc2oc1=O 2314751116 QUCMMVYULBHQFT-UHFFFAOYSA-N 458.514 4.815 50 10 JJGE CC[C@@H](Br)c1cn(Cc2ccc(I)c(Br)c2)nn1 2325275133 IIFYUDWOLRJNJJ-SECBINFHSA-N 484.961 4.540 50 10 JJGE O=C(NC[C@@H](Br)c1ccccc1)c1ccc(Cl)cc1I 2365589517 WCZJZNUAXCRNGX-CYBMUJFWSA-N 464.528 4.811 50 10 JJGE Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 13993284 UQIMFCQLBKMBAV-LJQANCHMSA-N 473.573 4.773 50 10 JJGE CCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 14035843 DGPRDJMZZUUMAG-UHFFFAOYSA-N 477.399 4.982 50 10 JJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2C)c(Br)c1 14832259 YZKKZOYNRQWJGW-ZDUSSCGKSA-N 483.790 4.530 50 10 JJGE CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc1 33432474 LIDOYWARVSDXAA-IJKLPWTBSA-N 456.546 4.529 50 10 JJGE O=C(COc1ccccc1-c1ccccc1)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21 252608586 HLNTURALLOITAU-UHFFFAOYSA-N 461.521 4.800 50 10 JJGE Cc1ccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)s1 254308956 MGAISHSWQGJRPK-UHFFFAOYSA-N 494.667 4.938 50 10 JJGE CCn1c(SCC(=O)NN=C(C)c2ccc(OC(C)=O)cc2)nnc1-c1ccc(C(C)(C)C)cc1 254400406 GWUPABHGUVKQJV-UHFFFAOYSA-N 493.633 4.820 50 10 JJGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCC[C@@H](Br)CC1 381263683 YDLQOACNNFDNGY-MRVPVSSYSA-N 466.022 4.694 50 10 JJGE C[C@]1(CI)CC[C@H](c2c(Br)cncc2Br)O1 394511567 BGLMGAJVUUQLIX-MWLCHTKSSA-N 460.935 4.652 50 10 JJGE CC1(C)C[C@H](NC(=O)c2ccc(I)c(Br)c2)C[C@H](Cl)C1 721620641 LWBGDKHHUKCWAD-WDEREUQCSA-N 470.576 4.970 50 10 JJGE O=C(NCC[C@H]1CCCO1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238700 WKSOXULWINLHLN-VQIMIIECSA-N 474.932 4.765 50 10 JJGE COc1ccccc1OCC(=O)NN=Cc1c(Br)c(C)n(-c2cccc(C)c2)c1C 725432300 PZLSVQIMNMKZMY-UHFFFAOYSA-N 470.367 4.703 50 10 JJGE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)cc2OC)c1 915842989 FGMKGRJMFSWHIG-RGVLZGJSSA-N 472.497 4.786 50 10 JJGE CCCOc1c(Br)cc(C=NNC(=O)c2ccccc2Br)cc1OC 916247765 YLTNSYWGGUALHP-UHFFFAOYSA-N 470.161 4.773 50 10 JJGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccn2)cc1OCC 1865687087 JFDWEJIJBPCQOY-QHCPKHFHSA-N 459.550 4.625 50 10 JJGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 1865708735 FBNFMCJXLFBCRX-OAQYLSRUSA-N 462.937 4.542 50 10 JJGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CC(C)(C)c4ccccc4[C@@H]3C2)n1 1868480540 OIVZFSVAOUDPFR-QFIPXVFZSA-N 470.602 4.783 50 10 JJGE CN(c1ncc(I)cc1Br)[C@@H]1CCCC[C@H]1Br 2015756940 MRPWQGWIKCLJBG-MWLCHTKSSA-N 473.978 4.591 50 10 JJGE C[C@@H]1C[C@H](CBr)CCN1C(=O)c1csc(Br)c1Br 2052360330 PXAWJHZBPVPCJZ-HTQZYQBOSA-N 460.029 4.909 50 10 JJGE O=C(NC[C@H](CBr)C(F)(F)F)c1c(Br)cccc1Br 2105267832 BNWIQGVDGGERDA-LURJTMIESA-N 467.905 4.515 50 10 JJGE CC[C@@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@@H]1CBr 2140782601 CLVZTAWYQBQJMM-ZJUUUORDSA-N 454.000 4.705 50 10 JJGE O=C(c1c(Br)cccc1Br)N1[C@H](CBr)C[C@H]2CCC[C@H]21 2164664954 UGQSFTFCAKDYJH-GBIKHYSHSA-N 466.011 4.990 50 10 JJGE Cc1sc(CBr)cc1S(=O)(=O)N1CCCC[C@H](N(C)Cc2ccccc2)C1 2179818831 DTIOUULCNWJEFJ-SFHVURJKSA-N 471.486 4.627 50 10 JJGE O=S(=O)(c1cc(CBr)c(Cl)cc1Cl)N1CC=C(Br)CC1 2179827989 LGMQVVYBRVROCK-UHFFFAOYSA-N 464.006 4.562 50 10 JJGE N#Cc1ccc(COc2c(Br)cc(Br)cc2CBr)nc1 2182300183 FPTBGHFJODWHEQ-UHFFFAOYSA-N 460.951 4.952 50 10 JJGE Cc1cc(C(=O)N[C@H]2CCCC[C@H]2CCBr)ccc1I 2207095123 BLVQGYIRVDRRMH-WFASDCNBSA-N 450.158 4.673 50 10 JJGE Cn1nc(Br)c([C@@H](Br)c2sc(Cl)cc2Br)n1 2210970549 QWWAORUKSGVHJL-RXMQYKEDSA-N 450.381 4.539 50 10 JJGE Cn1ncc([C@@H](Br)c2c(F)cc(F)c(Br)c2F)c1Br 2227804167 PXKGNUUMOZYXHC-MRVPVSSYSA-N 462.889 4.847 50 10 JJGE C[C@@H]1C[C@@H](CBr)CCN1C(=O)c1ccc(Cl)c(I)c1 2268349346 FHWYQXBTIXFGLJ-ZJUUUORDSA-N 456.549 4.580 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H]2CCC[C@]2(CBr)C1 2283661385 AJLCPULSGQHVSD-NHYWBVRUSA-N 468.560 4.582 50 10 JJGE N#CC(=Cc1cc(Br)c(I)o1)C(=O)Nc1ccccc1Cl 2293175763 FIJPQKOSCBTAMW-UHFFFAOYSA-N 477.483 4.846 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cccc(Br)c1 2314753293 WGDWPSBSNXCZHX-UHFFFAOYSA-N 495.329 4.883 50 10 JJGE COc1ccc(C(=O)N[C@H](CCBr)COCc2ccccc2)c(Br)c1 2320359520 DPTVFLPGGIFGQE-OAHLLOKOSA-N 471.189 4.558 50 10 JJGE CC(C)[C@H]1C[C@@H](Br)CN1C(=O)c1cccc(Br)c1Br 2344772803 YUQGSKDTYRKLNX-BXKDBHETSA-N 454.000 4.846 50 10 JJGE ClC[C@@]12CCC[C@H]1CN(Cc1ccc(I)c(Br)c1)C2 2349849655 BZOOUQABUFFKHD-SWLSCSKDSA-N 454.577 4.895 50 10 JJGE CC(C)C[C@H](CBr)CN=[S@]1(=O)CC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 2353824694 NFFQGMSLQUPWNL-HDNWHIHDSA-N 451.471 4.685 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2365588157 GCBXAAPNLFOVJX-RULNRJAQSA-N 468.560 4.723 50 10 JJGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14031629 IKBODRQRZAWKSM-OAHLLOKOSA-N 461.345 4.921 50 10 JJGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccccc2)c(C)c1 33380759 XRESAWSCRMGBMZ-QNGOZBTKSA-N 471.538 4.750 50 10 JJGE Cc1cc(C)c(OCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)c(Br)c1 33733608 PRVGVZJXRLSIAK-BHGWPJFGSA-N 475.774 4.743 50 10 JJGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3C)nc3ccccn3c2=O)cc1 34856830 DWJRYELPQXMUIB-MNDPQUGUSA-N 466.497 4.740 50 10 JJGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccc(Cl)cc4Cl)c(=O)c23)C1 35582965 YQDRQYSOTGZIKS-NMQDFBSDSA-N 463.390 4.601 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)c1 38650213 FSICLGAQOUETFD-AREMUKBSSA-N 456.498 4.515 50 10 JJGE Cc1ccc2cccc(Oc3ncnc(NNC(=O)c4ccc(Br)cc4)c3[N+](=O)[O-])c2n1 40618652 DAHWVWOPINYNGM-UHFFFAOYSA-N 495.293 4.553 50 10 JJGE N#C/C(=C/c1ccc(COc2cccc(C(F)(F)F)c2)o1)C(=O)NCc1ccc2c(c1)OCO2 96438439 RLSQMUHRLFIDIQ-SXGWCWSVSA-N 470.403 4.829 50 10 JJGE CCn1cc(/C=N\NC(=O)c2cccn(Cc3ccc(C(C)(C)C)cc3)c2=O)c2ccccc21 169921179 VAEVLKMHYZMXNY-RHANQZHGSA-N 454.574 4.933 50 10 JJGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O 209903527 KIPDPUCWVVAIOV-VBKFSLOCSA-N 450.417 4.699 50 10 JJGE O=C(NC[C@H]1CCC[C@@H](Cl)C1)c1cc(Br)ccc1I 227733758 HLUXGOVUZZROOH-GXSJLCMTSA-N 456.549 4.581 50 10 JJGE CCOc1cc(C=NNC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(F)cc1 254825264 BRXHHEOQVLYFFK-UHFFFAOYSA-N 464.493 4.590 50 10 JJGE C[C@H]1[C@H](Cl)C[C@H]2CC[C@H]1N2C(=O)c1cc(I)ccc1Br 686179290 ZIAYOVDTEZXXFS-OUJOLJPFSA-N 468.560 4.674 50 10 JJGE C=CCOc1c(Cl)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OCC 725446332 PLNFTXXEPKWALU-OAQYLSRUSA-N 460.958 4.666 50 10 JJGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCC(=O)O)cc2)cc1 1084011306 QRRIHOCPRFTXBH-UHFFFAOYSA-N 453.498 4.680 50 10 JJGE C=CCc1ccc(OCC(=O)NNc2cc(C(F)(F)F)ccc2Br)c(OC)c1 1451575338 KFKWJAJAUBIPCF-UHFFFAOYSA-N 459.262 4.727 50 10 JJGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)CCCN3C(=O)c4ccccc4C3=O)c2)cc1OC 1615066372 CCUMJZQQQHYPKU-RCCKNPSSSA-N 496.519 4.750 50 10 JJGE Cc1ccc(OCCCC(=O)NN=Cc2cccc(Br)c2)c(Br)c1 1772755446 HVJAUCXVTZBATA-UHFFFAOYSA-N 454.162 4.829 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)c1O 1865684639 URQRFVZPFDCKOF-QFIPXVFZSA-N 468.488 4.670 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccncc1 1865700137 LQOUGAIEEAPHCC-CQSZACIVSA-N 452.223 4.811 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1865710198 QPQDYEWFCSLTJJ-JOCHJYFZSA-N 467.460 4.864 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865715063 UTMRZUIFBHUZPU-QFIPXVFZSA-N 483.459 4.569 50 10 JJGE COCCOc1ccc(/C=C(\C#N)C(=O)N[C@H](CC(C)C)C(=O)Nc2ccc3ccccc3c2)cc1 1866214161 UXKQUVSDNNPCSE-QEYQTOMISA-N 485.584 4.942 50 10 JJGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 1873795496 MQMRVFIBGPSUSJ-WMPMWDHYSA-N 459.974 4.918 50 10 JJGE FC(F)(F)[C@H]1C[C@@]1(CCl)CNc1ncc(I)cc1Br 1877499125 BXSFLWVOSUVSPY-WCBMZHEXSA-N 469.470 4.668 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNCC1(NC(=O)OC(C)(C)C)CCCCC1 1902142433 FUYSZGOHEPMIGC-UHFFFAOYSA-N 463.710 4.710 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H](Br)[C@H](C2CC2)C1 2032954138 XNPSHZJTDDVSFQ-CBAPKCEASA-N 458.013 4.519 50 10 JJGE C[C@@H]1CN(C(=O)c2c(Br)cccc2Br)C[C@@]1(C)CBr 2094096497 YHDDEXDBPWFEEV-YMTOWFKASA-N 454.000 4.705 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@@H](CBr)C12CC2 2133831108 LOMZEKFXOWHXKP-JTQLQIEISA-N 451.984 4.601 50 10 JJGE CC[C@@H](Br)[C@@H]1CCCCN1C(=O)c1ccc(F)cc1I 2170617776 XTJKPRLAPJGGLG-OCCSQVGLSA-N 454.121 4.599 50 10 JJGE O=S(=O)(N[C@H](CBr)c1ccsc1)c1c(Cl)cccc1Br 2175669672 WAGDAJBJNWVEKI-LLVKDONJSA-N 459.612 4.579 50 10 JJGE Cc1cc(S(=O)(=O)N(C)Cc2csc(Br)c2)sc1CBr 2179818742 CVIBBISWIQXAJX-UHFFFAOYSA-N 459.250 4.596 50 10 JJGE CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2179861088 BTIXTYLDQHARSU-KRWDZBQOSA-N 492.266 4.783 50 10 JJGE N#Cc1ccc(COc2c(Br)cc(CBr)cc2Br)nc1 2182302236 WYFWKGAQJGAPJX-UHFFFAOYSA-N 460.951 4.952 50 10 JJGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N1CCC[C@H](OCc2ccccc2)C1 2186388377 DOHIKPKZGGNWBB-SFHVURJKSA-N 472.832 4.866 50 10 JJGE O=C(NCC1CC2(CC[C@H]2Cl)C1)c1ccc(I)c(Br)c1 2195358172 MRCREZFAVNKNOW-KWCGZIOASA-N 468.560 4.581 50 10 JJGE O=C(NC1(CCl)CC2(CCC2)C1)c1ccc(Br)cc1I 2207266583 BBFZOHYKEURSFZ-UHFFFAOYSA-N 468.560 4.725 50 10 JJGE CCN(C(=O)c1cc(I)ccc1Br)[C@@H]1CCC[C@@H]1Cl 2224412926 YFJMVQCGRFXMJC-QWHCGFSZSA-N 456.549 4.676 50 10 JJGE CCCN1C[C@@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)C1 2325208779 IRVCZUVISVUTFN-WCQYABFASA-N 487.017 4.702 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1C[C@H](CBr)C2(CCC2)C1 2365593109 SBMOKUHWUROCTO-JTQLQIEISA-N 468.560 4.582 50 10 JJGE O=C(N[C@H]1C[C@H](CBr)C12CCC2)c1cccc(Br)c1Br 2379697429 SFHFZFZGCSUIRV-SKDRFNHKSA-N 466.011 4.895 50 10 JJGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccccc1[C@@H](C)CC 14032964 AXKHYFFBRZUSGN-IBGZPJMESA-N 485.650 4.874 50 10 JJGE CC(C)CCOc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCC(C)C)cc1 14667031 LXRSJRHEZAKNRE-UHFFFAOYSA-N 477.399 4.984 50 10 JJGE COc1cc(OC)c(/C=N/NC(=O)[C@@H](C)Nc2cccc3ccccc23)cc1Br 27528078 MCIFVMKVNCLDMY-FIKYGGOLSA-N 456.340 4.570 50 10 JJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1 38604247 CBLBEACVRMZYED-BUVRLJJBSA-N 466.541 4.939 50 10 JJGE O=C(NNc1ncnc(Oc2cccc3cccnc23)c1[N+](=O)[O-])c1cccc2ccccc12 40618494 NEOLTXDXVZOTTD-UHFFFAOYSA-N 452.430 4.635 50 10 JJGE Cc1c(C(=O)N2CCCCC2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816324 SDULNAWOIHISAL-YZSQISJMSA-N 478.376 4.757 50 10 JJGE Cc1c(C(=O)Nc2ccccc2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823271 DSOODNPEVJQJPG-XKJRVUDJSA-N 479.352 4.830 50 10 JJGE COc1cccc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)c1OCc1cccc(C)c1 96438626 AHYMLQSVCJIFER-XKZIYDEJSA-N 456.498 4.535 50 10 JJGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 101334666 YLBNDODPXHCNBL-YDZHTSKRSA-N 454.505 4.927 50 10 JJGE O=C(NC[C@H]1CCCC[C@@H]1Br)c1cc(Br)ccc1Br 161221313 KXNHCZGTPFXFRP-SKDRFNHKSA-N 454.000 4.895 50 10 JJGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C1=O 214255650 JWCDYPJBNJFCEO-NQRZERFFSA-N 481.512 4.838 50 10 JJGE O=C(N[C@@H]1CCCCC[C@H]1Cl)c1cc(Br)ccc1I 236043715 MZRDXGWQAQJFST-DGCLKSJQSA-N 456.549 4.724 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cccc4ccccc34)cc2)cc1 254841972 YLNQSJAXBUVKGP-UHFFFAOYSA-N 468.509 4.987 50 10 JJGE CC[C@@H](Br)[C@@H](CC)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 313115797 OEXOPEYSVBCQBD-LDYMZIIASA-N 468.038 4.986 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](c2c(F)cccc2F)[C@@H](CI)C1 382694156 SDQHZAXZQYDOSQ-GJZGRUSLSA-N 457.258 4.752 50 10 JJGE CN(C)c1cccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1 382701692 CWAJLRCIBNGFLI-ICSRJNTNSA-N 464.347 4.540 50 10 JJGE ClCc1nc2cc(I)ccc2n1C[C@H]1CN(Cc2ccccc2)CCCO1 390471322 BNVOGSMRTJRSAM-GOSISDBHSA-N 495.792 4.671 50 10 JJGE Cc1cc(Br)cc(CBr)c1OCc1cn(C)nc1Br 714080220 CPAQIIOOZKECBF-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE C[C@H](Br)C[C@H]1CCCCN1C(=O)c1cccc(F)c1I 721665454 NZPSDPLAFBNAHO-WDEREUQCSA-N 454.121 4.599 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c(-c2ccccc2)n1 727393421 AIKGRNFPAYTKPT-WKDXJHLXSA-N 489.938 4.763 50 10 JJGE COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 914472070 HCZRHYVCEADWIR-PNWWAVQQSA-N 459.937 4.910 50 10 JJGE N#Cc1ccccc1COc1ccc(C=NNC(=O)c2cccc(F)c2)cc1I 1083870639 RIBFLTLNEDDNPP-UHFFFAOYSA-N 499.283 4.645 50 10 JJGE CCOc1cc(C=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1ccccc1 1084156072 DBWYLJOYAIQJRG-UHFFFAOYSA-N 453.882 4.990 50 10 JJGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCC 1084411433 BWAVZJBGNZFWKB-QHCPKHFHSA-N 454.567 4.575 50 10 JJGE CC(=O)c1ccc(C(=O)NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1O 1463701601 TXNNQYBOXDAWMD-UHFFFAOYSA-N 454.935 4.615 50 10 JJGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680471 LVZDPMDYASTMBY-QFIPXVFZSA-N 486.915 4.831 50 10 JJGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)c1 1865693836 MDIVHCZITYMQQC-XMMPIXPASA-N 479.540 4.950 50 10 JJGE COc1cccc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1OCc1ccc(Cl)c(Cl)c1 1873794511 MKJSUQHRZPVJAI-IETDBYTCSA-N 496.391 4.944 50 10 JJGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C[C@@H](Br)C1 1877388915 OORLXSZVPDXJDQ-MFEFFIJZSA-N 485.422 4.839 50 10 JJGE CC1(C)[C@@H](Cl)CCCN1C(=O)c1ccc(I)c(Br)c1 1887637885 YUWAZNZQBNMUEA-LBPRGKRZSA-N 456.549 4.676 50 10 JJGE Cc1c(Br)sc([C@H](Br)[C@H]2CCCCS2(=O)=O)c1Br 1922898821 YGCRUSZRVSOKLW-VXNVDRBHSA-N 481.069 4.985 50 10 JJGE FC(F)(F)[C@H]1CN(Cc2ccccc2)CCN1c1nc(Cl)c(CBr)s1 2066628466 YMIQLLSXUWESEC-CYBMUJFWSA-N 454.743 4.945 50 10 JJGE CCN1CCC[C@H]([C@@H](Br)c2scc(Br)c2Br)S1(=O)=O 2089521146 ZYMYFZFHAXHYDB-PSASIEDQSA-N 496.084 4.523 50 10 JJGE C[C@H]1CN(C(=O)c2cccc(Br)c2Br)CC[C@@H]1CBr 2109036870 WDWMFCMCUVZVFO-VHSXEESVSA-N 454.000 4.705 50 10 JJGE C[C@@H]1CN(Cc2c(Br)cccc2Br)C[C@@H](CCBr)O1 2122794711 OSFCQLUKRIDYTD-GHMZBOCLSA-N 456.016 4.586 50 10 JJGE C[C@H](Br)C[C@H]1COCCN1Cc1ccc(Br)cc1Br 2128858927 NYWPPKPXVDCZCW-GWCFXTLKSA-N 456.016 4.586 50 10 JJGE Cc1nn(C)c(Br)c1C[C@H](CBr)c1cccc(Br)c1 2129307317 IFBBSELGZJUNPO-LLVKDONJSA-N 451.000 4.975 50 10 JJGE C=CCC1(CBr)CCN(C(=O)c2sccc2I)CC1 2272172787 ABAXHRDBOKMMRG-UHFFFAOYSA-N 454.171 4.546 50 10 JJGE C[C@@H](NC(=O)Cc1cc(Br)cc(Br)c1)C(C)(C)CBr 2277928142 QZLUENILSVHLEX-SECBINFHSA-N 456.016 4.680 50 10 JJGE C[C@@H](CBr)CC1CN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295316245 WDRWBQWABTXVDI-SNVBAGLBSA-N 468.027 4.634 50 10 JJGE CC(C)[C@H]1C[C@H](Br)CN1C(=O)c1scc(Br)c1Br 2321382934 YMLHKNBLCJUUKW-IONNQARKSA-N 460.029 4.907 50 10 JJGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3cc(OC)c(OCc4ccccc4)c(OC)c3)nc2c1 2331046340 HCTCGHOQYIVIEQ-UHFFFAOYSA-N 497.507 4.782 50 10 JJGE O=C(CNC(=O)c1ccccc1Br)N/N=C/c1c2ccccc2cc2ccccc12 3162617 HVRRDBAFOVTXFV-MZJWZYIUSA-N 460.331 4.636 50 10 JJGE O=C(NC(=S)NNC(=O)c1ccccc1OCc1ccccc1)c1cc(Cl)cc(Cl)c1 10506155 NJZQYKTXXTZAOV-UHFFFAOYSA-N 474.369 4.522 50 10 JJGE CC(C)(C)c1ccc(C(=O)NNC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cc1 16231634 MSOXQBVPFRAJEV-UHFFFAOYSA-N 457.983 4.677 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nnc3n2CCCCC3)cc1OC 35240491 ADBZBGBMAISRDK-HKWRFOASSA-N 466.545 4.939 50 10 JJGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813341 PKHYBDYNPLYKSF-SGWCAAJKSA-N 461.949 4.910 50 10 JJGE O=C1[C@H](Br)CCCN1c1c(Br)cc(Br)cc1Br 70494549 KGAHTDPYUAXJAI-SSDOTTSWSA-N 490.815 4.864 50 10 JJGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C1=O 101334151 JWCDYPJBNJFCEO-QIWJOQEQSA-N 481.512 4.838 50 10 JJGE N#C/C(=C/N1CCN(c2cccc(Cl)c2)CC1)C(=O)NC(c1ccccc1)c1ccccc1 216978758 MOABDXPFISVHLJ-ATJXCDBQSA-N 456.977 4.775 50 10 JJGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)cc1 254432518 OGGMRNUJIWHJAK-UHFFFAOYSA-N 487.585 4.584 50 10 JJGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C)o3)nc3sc4c(c3c2=O)CCCC4)cc1 254517674 DKSKLLVJEGYLEU-UHFFFAOYSA-N 492.626 4.778 50 10 JJGE CC(C)C(=O)[C@@H](Br)Cc1ccc(Br)c(I)c1 300923074 ZLAUDSYRJGJQIW-JTQLQIEISA-N 459.947 4.585 50 10 JJGE O=C(N[C@H]1CCC[C@H](CCl)C1)c1cc(Br)ccc1I 302622617 QKMMDMAGCCKAAJ-ONGXEEELSA-N 456.549 4.581 50 10 JJGE BrCc1ccc(N2CC[C@@H](N3CCN(Cc4ccccc4)CC3)C2)c(Br)c1 312662394 MKCGDRLREAOBLL-HXUWFJFHSA-N 493.287 4.741 50 10 JJGE C[C@@H]1CC[C@H](CBr)CN1c1ncc(C(F)(F)F)cc1I 686107515 VARFIQSSCSLPGJ-RKDXNWHRSA-N 463.079 4.705 50 10 JJGE CN(C[C@H]1CCC[C@H]1Br)C(=O)c1cc(Cl)ccc1I 689220887 ZDUXMDNPBVRUJO-BXKDBHETSA-N 456.549 4.580 50 10 JJGE Cc1ccc(COc2cccc(C=NNC(=O)C(O)(c3ccccc3)c3ccccc3)c2)cc1 1083931526 CYVXUNFWOSJART-UHFFFAOYSA-N 450.538 4.960 50 10 JJGE O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1cccc(C(F)(F)F)c1 1084031412 DKPISXFAEDHSGL-UHFFFAOYSA-N 495.910 4.704 50 10 JJGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NN=Cc1cccc2ccccc12 1084397042 GXBNXOSVFPCXFA-UHFFFAOYSA-N 464.554 4.725 50 10 JJGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC(C)C)cc1OC 1865693790 YZGJAXVWFHWIGS-IBGZPJMESA-N 489.414 4.880 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)ccc1OCCCc1ccccc1 1865697354 QJPXAYRISKKJDY-HHHXNRCGSA-N 493.567 4.814 50 10 JJGE COc1ccccc1-c1csc(/C(C#N)=C(\O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 1872747192 RFAPZUVBACMWOV-MNDPQUGUSA-N 490.497 4.596 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CC2(CC2)C[C@@H]1CBr 2037826861 FPCNXQIJMIZGRV-SSDOTTSWSA-N 458.013 4.663 50 10 JJGE CN([C@@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(CCl)sc1Br 2038806530 ILGJGOIPEWCTTF-CABCVRRESA-N 464.834 4.618 50 10 JJGE O=C(CBr)c1ccc(I)c(OC(F)(F)F)c1Br 2054836503 SRLHCMLZXUBIKG-UHFFFAOYSA-N 487.835 4.530 50 10 JJGE CCN(C[C@](C)(CI)OC[C@@H]1C[C@@H]1C1CCOCC1)C(=O)OC(C)(C)C 2135988752 FCMUNUSGXZAZPR-QKLQHJQFSA-N 481.415 4.516 50 10 JJGE CC(C)(C)OC(=O)N1CCC([S@@](C)(=O)=NC[C@@H](CBr)c2ccccc2)CC1 2163064882 WRFYRDQOUPHMOQ-XGCWNURASA-N 459.450 4.662 50 10 JJGE CC(C)(C)OC(=O)NCC1CC([S@](C)(=O)=NC[C@H](CBr)c2ccccc2)C1 2192628666 ZBRBKYQCCQHBRR-XLNVUUPNSA-N 459.450 4.566 50 10 JJGE Cc1ccc(I)c(C(=O)N2CCCC[C@H]2C[C@H](C)Br)c1 2240913814 NMNWZNIDUFPSBV-STQMWFEESA-N 450.158 4.768 50 10 JJGE N#CC(=CNc1ccccc1[N+](=O)[O-])c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2296801532 OEMLNKHLAGMNAT-UHFFFAOYSA-N 461.415 4.709 50 10 JJGE CN(Cc1ccc(I)c(Br)c1)CC1(CBr)CC1 2306224952 BQHHHFMPSOTMSY-UHFFFAOYSA-N 472.990 4.661 50 10 JJGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)C(C)=C(C#N)C1=O 2314616604 FOXSRHCAJOLTQD-IBGZPJMESA-N 490.563 4.949 50 10 JJGE Cc1cccc(N2CCN(C=C(C#N)C(=O)NC(c3ccccc3)c3ccccc3)CC2)c1C 2320906192 BLJPENPOVWCHEI-UHFFFAOYSA-N 450.586 4.739 50 10 JJGE N#CC(=CNC1CCN(Cc2ccccc2)CC1)C(=O)NC(c1ccccc1)c1ccccc1 2324837700 YFHIQJYNNJFQMO-UHFFFAOYSA-N 450.586 4.554 50 10 JJGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(C(C)(C)C)C3)n2)cc1Cl 2331378732 WDMPTNQEPBKPDD-GFCCVEGCSA-N 461.971 4.920 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1Cl 2331398110 HZXJWWSHKCEDTD-LBPRGKRZSA-N 465.918 4.949 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)ccc1OC(=O)c1ccco1 8569249 IGJFOUMGDNFNEY-JOCHJYFZSA-N 482.496 4.814 50 10 JJGE COc1cc(C=NNC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1cccc2ccccc12 12419160 UQHHWTDMGNTNQN-UHFFFAOYSA-N 468.465 4.560 50 10 JJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1 38658005 YJRLADMDKTZXCB-VWLOTQADSA-N 454.482 4.697 50 10 JJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)c1 38659896 ZMLLVGDEVDVZEO-MHZLTWQESA-N 486.524 4.523 50 10 JJGE COc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3cc(C)cc(C)c3)nc3c(C)cccn3c2=O)c1 39993054 CWUPKSVYIYQCBY-XSFVSMFZSA-N 480.524 4.966 50 10 JJGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)c(OC)c1 40870019 KFPQAUVKVQXNNG-MXHDTTNDSA-N 498.535 4.555 50 10 JJGE CCCCCOc1ccccc1C(=O)N/N=C1\C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 59151308 WQSFKOPOTNPZCK-FVDSYPCUSA-N 486.528 4.845 50 10 JJGE COc1cc(/C=C(/C#N)c2nnc3n2CCCCC3)ccc1OC(=O)c1ccc2ccccc2n1 83923525 IKQLLYJVZQOTIO-HKWRFOASSA-N 465.513 4.845 50 10 JJGE CN(Cc1cc(Br)cs1)S(=O)(=O)c1cc(CCl)sc1Br 91271762 QHUHNDNQZKICOV-UHFFFAOYSA-N 479.668 4.894 50 10 JJGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242039 JYSJFUHOHWPNPH-YMGIJWJESA-N 475.545 4.724 50 10 JJGE CCCCCCCCOc1ccc(/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 101341176 ZMPYUGUFDHGUDI-CJLVFECKSA-N 482.577 4.590 50 10 JJGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(C#N)=C\c2ccc(OCCCC)cc2)c(OC)c1 103746650 ZYPXIPOPHOMGGU-CPTCYYDTSA-N 485.540 4.596 50 10 JJGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)cc1OC 206237452 WEQRFMTXPQBPCP-ZHZULCJRSA-N 494.544 4.773 50 10 JJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OCc3ccccc3)c(OCC)c2)C1=O 214302052 JISDBVWUXYLXJL-KQWNVCNZSA-N 474.557 4.683 50 10 JJGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2CC)cc1 254443448 ZRWFSGIWCHIUJC-UHFFFAOYSA-N 465.623 4.904 50 10 JJGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 254486967 TYOLKCVUKFPQGY-UHFFFAOYSA-N 471.586 4.884 50 10 JJGE Cc1cccc(NC(=O)CN2C(=O)C(=NNC(=O)c3ccc(-c4ccccc4)cc3)c3ccccc32)c1 254737753 OHEHFWDVIRETPG-UHFFFAOYSA-N 488.547 4.781 50 10 JJGE C[C@@H]1CC[C@H](CBr)CN1C(=O)c1cc(Br)c(Br)s1 688645287 PUZCWYRWTFUWLR-HTQZYQBOSA-N 460.029 4.909 50 10 JJGE Cc1nn(C)c(COc2cccc(Br)c2CBr)c1Br 706818754 VCLZRVSYZUKCCT-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE COc1cc(C=NNC(=O)c2cc3ccccc3cc2OC)ccc1OCc1ccc(C(=O)O)cc1 1084041924 YMGPCTZERWVOBC-UHFFFAOYSA-N 484.508 4.898 50 10 JJGE Cc1ccc2nc(Sc3ccc(/C=C(\C#N)C(=O)N4CCN(c5ccccc5)CC4)o3)[nH]c2c1 1084423776 NENWESNVYWLNND-KNTRCKAVSA-N 469.570 4.871 50 10 JJGE N#CSc1ccc(NC(=O)Nc2ncccc2OCC(=O)Nc2ccc(Cl)cc2)cc1 1858824028 RFGNGYTZRZORIN-UHFFFAOYSA-N 453.911 4.970 50 10 JJGE COc1cccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)c1 1872744015 DIRYVSYXYLCSCO-PYCFMQQDSA-N 464.503 4.513 50 10 JJGE COc1cc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc(OC)c1OC 1872752946 AJLDJBNAQRKZFA-SILNSSARSA-N 490.541 4.540 50 10 JJGE Cc1ccccc1COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1 1873794875 GHSYLWNWOVBMQG-JEWPKMHUSA-N 453.583 4.964 50 10 JJGE O=C(NC[C@H]1CCCC[C@H]1Br)c1csc(Br)c1Br 2032953982 UEYZGRYDLUTIJI-VXNVDRBHSA-N 460.029 4.957 50 10 JJGE O=C(CBr)c1ccc(C(F)F)c(I)c1Br 2054780166 YOWUDDFNIJTZAT-UHFFFAOYSA-N 453.846 4.569 50 10 JJGE O=C(N[C@@H]1CC[C@H]2C[C@]21CBr)c1cc(Br)sc1Br 2068353910 GTAUMOMWUBIKSC-ZQWFHOFHSA-N 458.013 4.567 50 10 JJGE C[C@@H](Br)[C@H]1CCCCN1C(=O)c1cccc(Br)c1Br 2092332487 GDRPGBNERAAQAE-BXKDBHETSA-N 454.000 4.990 50 10 JJGE CN([C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21)S(=O)(=O)c1csc(CBr)c1 2190546124 DXUXZLLBIPPWIF-ACZWYYKOSA-N 470.454 4.647 50 10 JJGE Brc1cccc([C@H](CI)OC[C@@H]2C[C@@]23CCCOC3)c1 2198376501 HKHJKWLBMTUWBM-CWRNSKLLSA-N 451.142 4.759 50 10 JJGE FC(F)(F)[C@H]1CN(Cc2ccc(I)c(Cl)c2)C[C@H]1CBr 2208029998 OXMJWPCYEPLWJG-ZJUUUORDSA-N 482.509 4.950 50 10 JJGE C[C@]1(CNC(=O)c2cc(Br)sc2Br)CCC[C@H]1Br 2258808592 FQTHOPNPUGABKY-PRHODGIISA-N 460.029 4.957 50 10 JJGE C=CC[C@]1(CBr)CCCN1c1ncc(I)cc1Br 2259472891 NMSSRTXVSNZJPW-CYBMUJFWSA-N 485.989 4.759 50 10 JJGE CCc1nn(C)c([C@@H](Cl)c2ccc(OC)c(I)c2)c1Br 2285002498 MOULHGUHOZOGOQ-ZDUSSCGKSA-N 469.548 4.686 50 10 JJGE C=CC[C@]1(CCl)CCN(C(=O)c2cc(Br)ccc2I)C1 2287744572 GYZPQMOKFYOFJW-OAHLLOKOSA-N 468.560 4.701 50 10 JJGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccccc2)cc1 2296542806 UUJSVZSDTDNHAW-UHFFFAOYSA-N 471.538 4.696 50 10 JJGE COc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3)c(OC)c2)c([N+](=O)[O-])c1 2297558843 ZPCFINUMPUDWGE-UHFFFAOYSA-N 459.458 4.737 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@](C)(F)C(C)(C)F)C1 2307652197 LYYJYYZNIRRVLP-IRXDYDNUSA-N 461.331 4.684 50 10 JJGE CCOc1c(I)cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc1OC 2313518171 PKWGZZWAKHQERB-UHFFFAOYSA-N 476.314 4.861 50 10 JJGE CCCCCCCOc1ccc(C=C2C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1OCC 2314617823 BMEQHOLKNSUDGV-UHFFFAOYSA-N 454.567 4.673 50 10 JJGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2)cc1 2314634247 MRJWGPMESVSZMZ-SANMLTNESA-N 454.482 4.541 50 10 JJGE CCOc1cc(C=NNC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc(Cl)c1OCC 2318418215 UCQOJPRCFYNVAK-UHFFFAOYSA-N 452.942 4.576 50 10 JJGE O=C(N[C@H]1CC[C@@H]2C[C@]12CBr)c1c(Br)cccc1Br 2331771913 NGAMCAREYDJCMM-FDLBOYPASA-N 451.984 4.505 50 10 JJGE CC/C(=N/NC(=O)COc1c(C)cc(Br)cc1Br)c1ccc(O)cc1 12483436 LCKSLEWJEIJQLV-PGMHBOJBSA-N 470.161 4.535 50 10 JJGE C[C@@H](Oc1ccccc1Br)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 20311439 JNFXDWMONDNTAI-SCELWYEFSA-N 453.336 4.946 50 10 JJGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc21 38650500 DMAOAPKSLJTCBM-VWLOTQADSA-N 476.916 4.941 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)c1OC 38658934 OHKRCKZDHSTUBF-AREMUKBSSA-N 486.524 4.523 50 10 JJGE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C 39993091 RNKUACAGHSZEEH-XDJHFCHBSA-N 466.497 4.658 50 10 JJGE O=C(NNc1ncnc(Nc2cccc(Cl)c2Cl)c1[N+](=O)[O-])c1ccccc1Br 40646712 NTSYTWBMAIFEBV-UHFFFAOYSA-N 498.124 4.955 50 10 JJGE O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cc(F)c(F)cc1Cl 59167092 SCTLCYSDYOBVAX-YSURURNPSA-N 476.779 4.991 50 10 JJGE Cc1cccc(NCCCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2N2CCCCC2)c1 253574379 SNLAGONMOHTYAX-ZTKZIYFRSA-N 458.610 4.822 50 10 JJGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 254566156 FWWZXHJZDDJIOR-UHFFFAOYSA-N 481.508 4.547 50 10 JJGE O=C(N[C@H]1CCC[C@@H](CCl)C1)c1cc(Br)ccc1I 302622615 QKMMDMAGCCKAAJ-KOLCDFICSA-N 456.549 4.581 50 10 JJGE Brc1cncc(Br)c1[C@H]1CCC[C@@H](CI)O1 394578190 TYZWPYORVJTUGC-OIBJUYFYSA-N 460.935 4.652 50 10 JJGE FC(F)(F)Oc1ccc(I)c(Br)c1CBr 575695963 QARGQLUUXNCUIL-UHFFFAOYSA-N 459.825 4.847 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccccc1C(F)(F)F 1084237780 IIKFGAAHXJODQG-UHFFFAOYSA-N 462.859 4.855 50 10 JJGE CCOc1cc(C=NNC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccc(F)cc1 1084440920 MOWDDTNPSICQHB-UHFFFAOYSA-N 452.482 4.585 50 10 JJGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684507 QZJFMOZHANAALN-LJQANCHMSA-N 453.315 4.614 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)ccc1OC(C)C 1865696293 DFFWUZFFZIDQRW-KRWDZBQOSA-N 450.461 4.572 50 10 JJGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(C)cc4)cs3)cc2C1=O 1872749136 CKDSREXPAJUGGK-XDOYNYLZSA-N 459.527 4.701 50 10 JJGE N[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H]1Br 1893143717 GQJFIZVCHXDUKI-XCXIMHFFSA-N 468.834 4.819 50 10 JJGE CC[C@@H](C)[C@H](CI)NC(=O)c1cc(Br)ccc1Br 2081235157 CEOKJRCJUADGKQ-PELKAZGASA-N 488.989 4.791 50 10 JJGE CC[C@H](C)[C@H](CBr)NC(=O)c1cc(Br)ccc1I 2081239554 UGCXBNNOAOAFKQ-UFBFGSQYSA-N 488.989 4.593 50 10 JJGE C[C@@H]1CN(S(=O)(=O)c2cc(CCl)sc2Br)[C@H](C)CN1Cc1ccccc1 2095831743 RQPFZVYJALOFQD-ZIAGYGMSSA-N 477.877 4.533 50 10 JJGE Cc1ncc(COc2c(Br)cc(Br)cc2CBr)n1C 2115590036 JUJLUTGGFVPLHR-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE CN([C@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Cl 2123200294 GDDSZKXEHIMDBE-ROUUACIJSA-N 458.805 4.603 50 10 JJGE O=C(NCC[C@H]1CCCC[C@H]1Br)c1ccc(F)cc1I 2179634093 DBHDWSOTMCEDOH-ZWNOBZJWSA-N 454.121 4.504 50 10 JJGE Cc1ccc(I)c(C(=O)NC[C@@H]2CCCC[C@H]2CBr)c1 2240914628 PJRUMURKCHVASL-STQMWFEESA-N 450.158 4.531 50 10 JJGE O=C(c1csc(I)c1)N1CCC2(CC[C@@H](Br)C2)CC1 2272327191 OEDVRKJJNYBECD-LLVKDONJSA-N 454.171 4.523 50 10 JJGE CCOC(=O)c1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3)C(=O)N2c2ccccc2)cc1 2296834445 NXZRHGSSGNCXCI-DEOSSOPVSA-N 497.576 4.928 50 10 JJGE COC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)NCCc3c[nH]c4ccccc34)o2)c(C)c1 2313557047 RVBSIMYRESNOHM-UHFFFAOYSA-N 453.498 4.789 50 10 JJGE N#CC(=Cc1cc(Br)ccc1OCC(=O)O)C(=O)Nc1cccc(Cl)c1Cl 2313570631 BKCUFTKCWPQJRZ-UHFFFAOYSA-N 470.106 4.765 50 10 JJGE CNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 2314476047 HUVDSSFNHGEYDD-UHFFFAOYSA-N 452.489 4.910 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc(OC)c1OC 2314634312 BAJCWVBGVYOJAL-SANMLTNESA-N 484.508 4.549 50 10 JJGE FC(F)(F)[C@H](CCCl)NCc1ccc(I)c(Br)c1 2325218200 MFOWFFSUFZAAKY-JTQLQIEISA-N 456.471 4.703 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1OC 2331242791 LDJGQVVBXUTBRY-UHFFFAOYSA-N 494.529 4.522 50 10 JJGE COc1cc(CBr)cc(OC)c1OCc1sccc1I 2364107959 XJHBCCOGHURQOL-UHFFFAOYSA-N 469.138 4.844 50 10 JJGE O=C(N[C@@H]1C[C@H](CBr)C12CCC2)c1ccc(Cl)cc1I 2379721382 VIYRFPZKCHYNKP-NOZJJQNGSA-N 468.560 4.628 50 10 JJGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 13980329 UJKGSTBHKHSOLE-LJQANCHMSA-N 459.546 4.601 50 10 JJGE CCCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(Br)cc1C 14032694 JYLRALNUORZXMV-UHFFFAOYSA-N 463.372 4.557 50 10 JJGE O=C(NNc1ncnc(Nc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-])c1ccc(Br)cc1 40648733 UBNVVIIHZPNHQW-UHFFFAOYSA-N 497.231 4.667 50 10 JJGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccoc1C)CCC2 40823383 LLADEZVRGHZZNC-WGOQTCKBSA-N 455.898 4.874 50 10 JJGE ClCc1nc2cc(I)ccc2n1-c1ccc(I)cc1 97353808 XOOHBFWBEFTHRG-UHFFFAOYSA-N 494.501 4.974 50 10 JJGE CN(C(=O)c1cc(Br)ccc1Br)[C@H]1CCCC[C@@H]1Br 157974550 OPLPYEHKWWTDBX-STQMWFEESA-N 454.000 4.990 50 10 JJGE C[C@H](Cl)C1CCN(C(=O)c2cc(I)ccc2Br)CC1 235491933 CIKWNUXSVKDALK-VIFPVBQESA-N 456.549 4.533 50 10 JJGE COc1ccc(C(C)=NNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c(OC)c1 252584636 BUGXAPKYWYCFQH-UHFFFAOYSA-N 451.910 4.764 50 10 JJGE CCOc1cc(C=NNC(=O)COc2ccc(C(C)C)cc2)ccc1OC(=O)c1ccccc1 254441652 LKUWIWVFFYOPQJ-UHFFFAOYSA-N 460.530 4.957 50 10 JJGE COc1cc(C(=O)NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc23)cc(OC)c1OC 254821151 RTQJOCQWALYFMU-UHFFFAOYSA-N 484.508 4.849 50 10 JJGE Cc1ccc(SCCC(=O)NN=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 254833256 DPPIUSPHYGJYMV-OAQYLSRUSA-N 475.614 4.884 50 10 JJGE CC(C)[C@@H](CBr)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 394178385 ZSTFXZNFHSBHTA-QMMMGPOBSA-N 468.038 4.701 50 10 JJGE CC(C)N(CCCBr)c1ncc(C(F)(F)F)cc1I 686115669 YDSGGXQXEXDDLV-UHFFFAOYSA-N 451.068 4.705 50 10 JJGE CC(C)N(C[C@H](C)Br)C(=O)c1cc(Br)ccc1I 691345893 YIELMYCNDXQJOZ-VIFPVBQESA-N 488.989 4.688 50 10 JJGE COc1ccc(OCC(=O)NN=Cc2ccc(-c3ccccc3Cl)o2)c(Br)c1 1082990520 ZAOVHGRMWKCWNV-UHFFFAOYSA-N 463.715 4.900 50 10 JJGE C=C(C)Cn1c(SCC(=O)NNc2c(Cl)cc(F)cc2Cl)nnc1-c1ccco1 1537558872 DNGHKJZRKBSXPA-UHFFFAOYSA-N 456.330 4.796 50 10 JJGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccccc3Cl)c(C)c21 1772745513 AEXCPAYTWAPYIJ-UHFFFAOYSA-N 451.910 4.973 50 10 JJGE Cc1c(C(=O)NCCC(C)C)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772745770 GUESUTUGOKRPKP-UHFFFAOYSA-N 460.372 4.597 50 10 JJGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772748719 CTTMPBJMQMWSBE-QGZVFWFLSA-N 489.547 4.944 50 10 JJGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2O)CCC3)cc1Cl 1772752141 VRBNWABRTZXRFQ-UHFFFAOYSA-N 451.910 4.978 50 10 JJGE COc1ccc(OCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)cc1 1772754136 QJZZSJQEWUCQDZ-UHFFFAOYSA-N 469.335 4.566 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)cc1)C(C#N)=C(N)O2 1865683436 DQQXWJDYCOLINZ-IBGZPJMESA-N 451.324 4.511 50 10 JJGE Cc1ccc(O)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)c1 1865687339 PADNJEIKRWLIJQ-QGZVFWFLSA-N 460.843 4.836 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccncc2)C(C#N)=C(N)O3)cc1 1865702163 OJTCUWLCJMOODE-QFIPXVFZSA-N 469.932 4.874 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865703952 JKMZMSCVMIILMQ-HSZRJFAPSA-N 496.498 4.662 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1ccc(C(=O)O)cc1 1865709191 QSJUPQYHKKQZIV-QFIPXVFZSA-N 466.472 4.654 50 10 JJGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865712050 OQJCDOIZTPGHRF-JOCHJYFZSA-N 498.942 4.530 50 10 JJGE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714268 FSAAIYFWUUPDKZ-LJQANCHMSA-N 455.743 4.874 50 10 JJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2cccc(-n3cccc3)c2)cc1 1866614756 XYVRDPUQKSKBFG-RUZDIDTESA-N 482.565 4.736 50 10 JJGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 1872749253 IOJMSNBVIZRPKZ-MNDPQUGUSA-N 460.471 4.506 50 10 JJGE Cc1ccc(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)cc1Br 1916389689 WDYAXGFSJPOGTJ-QGZVFWFLSA-N 455.190 4.810 50 10 JJGE CCOC(=O)C12CC(CI)(C1)O[C@@H]2c1cccc(SC(F)(F)F)c1 2049395337 OJBOCKURWZNMEF-LRVUVFPRSA-N 472.266 4.887 50 10 JJGE C[C@@H]1CC[C@@](CBr)(NC(=O)c2csc(Br)c2Br)C1 2074206267 UADDPPIBRSVGDP-JMCQJSRRSA-N 460.029 4.957 50 10 JJGE Cc1cc(F)ccc1Cn1nc(CBr)c(I)c1C(F)(F)F 2079242794 FDBNORNLRUAYDP-UHFFFAOYSA-N 477.037 4.897 50 10 JJGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@@H]1C[C@H](Br)C2 2098697785 DYHRBWFSUCGUCZ-JGPRNRPPSA-N 498.984 4.584 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CC[C@@H](Br)CC12CC2 2113560913 GYXWIGIFQMYBNI-SECBINFHSA-N 498.984 4.586 50 10 JJGE Cc1sc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)CC1CCOCC1 2123232372 PQUUOLFNIXHXNB-UHFFFAOYSA-N 458.443 4.569 50 10 JJGE CC1(C)C[C@@H](CCl)CN1C(=O)c1cc(Br)ccc1I 2127827413 JEGHAXAIHKHWIS-VIFPVBQESA-N 456.549 4.533 50 10 JJGE CC1(C)CC[C@H](CBr)N1C(=O)c1cc(Cl)ccc1I 2140853187 SBKCDUAXZXDTAT-SNVBAGLBSA-N 456.549 4.723 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@H](CBr)C(F)(F)C1 2146374774 FFHBJZWMJLJJLJ-MRVPVSSYSA-N 475.953 4.704 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@@H](C(F)(F)F)[C@@H](CCl)C1 2163352737 HYTULJUHFWMQBT-NTSWFWBYSA-N 455.521 4.762 50 10 JJGE C[C@H]1C[C@H]1N(CCBr)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2167106865 NYEVLPISEROOPZ-WRWORJQWSA-N 466.022 4.550 50 10 JJGE Cn1nc(CC(CBr)(CBr)c2ccc(F)cc2)cc1Br 2168212886 UIPSAAWLPBIDQM-UHFFFAOYSA-N 468.990 4.592 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CC[C@@H](Cl)CC12CCC2 2169887378 LJMXPBZLCMYIHC-SNVBAGLBSA-N 468.560 4.820 50 10 JJGE CCCN1CCC[C@@H]([C@H](Br)c2cc(Br)c(Cl)s2)S1(=O)=O 2172562411 LHOFYCKLOGLZRY-WDEREUQCSA-N 465.660 4.804 50 10 JJGE COc1cccc(Br)c1C(=O)N[C@H](C)CCCCCI 2174529643 LOZOWOYOVHUDMA-LLVKDONJSA-N 454.146 4.571 50 10 JJGE COc1cc(-n2cc([C@H](Br)C(C)C)nn2)c(Br)cc1Br 2177556126 QRPKUGMYIRYTNI-CYBMUJFWSA-N 467.987 4.893 50 10 JJGE CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2179831627 ZHLXAVFKXKLWHU-INIZCTEOSA-N 492.266 4.783 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(CCCCCI)CC1 2214705549 UKQLEJCZRCTRQP-KRWDZBQOSA-N 450.405 4.703 50 10 JJGE COc1cc(OC)c([C@H](Br)c2cc(I)sn2)cc1Cl 2264477287 XMIDEYGRUFNRLQ-LBPRGKRZSA-N 474.545 4.903 50 10 JJGE C[C@@H](Cl)CN(C(=O)c1ccc(Br)cc1I)C(C)(C)C 2272499347 YZRTYULAKDQPLQ-SECBINFHSA-N 458.565 4.922 50 10 JJGE C[C@@]1(NC(=O)Cc2cc(Br)cc(Br)c2)CCC[C@H]1Br 2277915991 DWBMYXXZAQNZCU-TZMCWYRMSA-N 454.000 4.576 50 10 JJGE Cc1ccccc1-n1c(SCC(=O)NN=CC=Cc2ccccc2[N+](=O)[O-])nc2ccccc2c1=O 2293749538 ABUKZRRTEZITBR-UHFFFAOYSA-N 499.552 4.510 50 10 JJGE Cc1cc(C=C(C#N)C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c(C)n1-c1ccc(F)cc1 2297500418 XWXBXVCVLCDRNZ-UHFFFAOYSA-N 494.573 4.792 50 10 JJGE Brc1cc(CN2CCCC[C@H](Br)C2)ccc1I 2306214770 LSPUEDDHUDEIMJ-NSHDSACASA-N 472.990 4.803 50 10 JJGE CC(C)(CI)CN1CCCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C 2306817932 FIWBHXPNCMXCQO-JKSUJKDBSA-N 450.405 4.702 50 10 JJGE O=S(=O)(N[C@@H](CCCl)COCc1ccccc1)c1c(Cl)cccc1Br 2320664214 KDNHLFWQWCPZQD-AWEZNQCLSA-N 467.212 4.595 50 10 JJGE CCN(CC)c1ccc(C=NNC(=O)c2ccc3nc(Cc4ccc(OC)cc4)[nH]c3c2)cc1 2323720692 WYKIVNBRQLAPNE-UHFFFAOYSA-N 455.562 4.772 50 10 JJGE CC(C)(CI)CN1CC[C@H](CNC(=O)OC(C)(C)C)c2ccccc21 2326666936 GOMPQIBYCDFZDW-OAHLLOKOSA-N 458.384 4.966 50 10 JJGE COc1cccc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)c1OCc1ccccc1F 2328835301 JOFBMQBLLLGKFJ-UHFFFAOYSA-N 487.572 4.949 50 10 JJGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 2331324268 CAEVTLWGIKQDDF-UHFFFAOYSA-N 478.530 4.822 50 10 JJGE CC(C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1)N1C(=O)c2ccccc2C1=O 2331331064 RVVPAAKMRHKLMH-QFIPXVFZSA-N 487.537 4.695 50 10 JJGE O=C(NCC1CCC(Br)CC1)c1ccc(Cl)cc1I 2340053732 DSFWWZZWBVIVFD-UHFFFAOYSA-N 456.549 4.628 50 10 JJGE O=C(N[C@@H]1C[C@@H](CBr)C12CCC2)c1cc(Cl)ccc1I 2379720441 PDLJHIIBKRGKCG-TVQRCGJNSA-N 468.560 4.628 50 10 JJGE O=C(NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1)c1ccc(Cl)cc1 14669667 HSEKVNOJPZFQDF-UHFFFAOYSA-N 473.754 4.799 50 10 JJGE COc1cc2ccccc2cc1C(=O)N/N=C/c1ccccc1OS(=O)(=O)c1ccc(C)cc1 59154266 VCTGTXMNAIIWLJ-WPWMEQJKSA-N 474.538 4.688 50 10 JJGE O=S(=O)(N[C@@H](CBr)c1ccccc1)c1cc(Br)ccc1Br 136899556 SWXFXODKXCCJNL-ZDUSSCGKSA-N 498.034 4.626 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OC(=O)COc1cc(C)ccc1C(C)C 206403363 OCPCDXNBMCZWGO-NDENLUEZSA-N 450.535 4.543 50 10 JJGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCCC)c(OC)c2)c(OC)c1 206503072 RJFYZBPZZDRYEQ-DPKZSXGYSA-N 478.545 4.545 50 10 JJGE Cc1ccc(-n2c(SCC(=O)/C(C#N)=C3\Nc4ccccc4N3C)nc3ccccc3c2=O)cc1F 212096738 FUYZSDGVAMUAKZ-NCELDCMTSA-N 497.555 4.792 50 10 JJGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C1=O 214255717 JWCDYPJBNJFCEO-PGECNJAHSA-N 481.512 4.838 50 10 JJGE ClCCc1nc2cc(I)ccc2n1C[C@@H]1CCN(Cc2ccccc2)C1 311501230 LSRSCHZIVXNTMD-QGZVFWFLSA-N 479.793 4.944 50 10 JJGE CC(C)(C)[C@@H](Br)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 324310710 ZEULKHSRTYZMIP-JTQLQIEISA-N 468.038 4.844 50 10 JJGE C[C@@H]1CCN(C(=O)c2cc(Br)cc(Br)c2)C[C@@H]1CBr 700431726 JQNURXUEBXEVRT-KOLCDFICSA-N 454.000 4.705 50 10 JJGE C[C@H]1C[C@H](Br)CCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 705601383 XTVMLVVFSHYQHX-JGVFFNPUSA-N 466.022 4.692 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCOc3ccccc32)c(-c2ccc(Cl)cc2)n1 731171128 CTEYCWGXIFXNHG-XPFMCRKWSA-N 471.948 4.707 50 10 JJGE COc1cc(C=NNC(=O)c2ccccc2Br)ccc1OCc1ccc(F)cc1 916247443 CRFDSTYFOYITPM-UHFFFAOYSA-N 457.299 4.940 50 10 JJGE CC(=NNC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 1084355572 RQVXVMAAPLNDFS-UHFFFAOYSA-N 473.957 4.523 50 10 JJGE CC(=NNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 1084441022 XGHGEOKFIQGWIP-UHFFFAOYSA-N 473.957 4.523 50 10 JJGE COc1cccc(C=NNC(=O)c2ccccc2F)c1OCc1ccc(Br)cc1 1084656426 LBPJFIXFUVDZOO-UHFFFAOYSA-N 457.299 4.940 50 10 JJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(OC)c1)C(C#N)=C(N)O2 1865705800 GFLIIPZKKZSPGD-IBGZPJMESA-N 457.317 4.674 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 1865710104 OJGNYBJVHGSFRU-IBGZPJMESA-N 480.322 4.714 50 10 JJGE C[C@@H](Br)[C@@H](NC(=O)c1cc(Br)ccc1Br)C(F)(F)F 1882654018 ZNJBGSFSZHZFSL-MLUIRONXSA-N 467.905 4.656 50 10 JJGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1cccc(Cl)c1CBr 1912993261 RKXYMWUPGYWGMB-UHFFFAOYSA-N 458.743 4.649 50 10 JJGE CC(C)(C)[C@H](CCl)CNC(=O)c1cc(Br)ccc1I 2090195409 XMUOQCVLQPQXJU-SECBINFHSA-N 458.565 4.685 50 10 JJGE Cn1ncc(C[C@@H](CBr)Cc2cccc(Br)c2)c1Br 2116617055 FHXYFTLJYNKQSS-NSHDSACASA-N 451.000 4.741 50 10 JJGE CN([C@@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Cl)c1 2123270473 NGPXLAVTXSVVFQ-MOPGFXCFSA-N 458.805 4.603 50 10 JJGE CC(C)[C@@H](Br)C(=O)Nc1ccc(C(F)(F)F)cc1I 2139266315 IOGMPSPYPVPGNI-SNVBAGLBSA-N 450.036 4.668 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N(C)C[C@H](Br)C(C)C)cc1Br 2167645322 YJZGLIBSBODDCY-LBPRGKRZSA-N 492.071 4.560 50 10 JJGE CC1(C)CCCN(C(=O)c2cc(Br)ccc2I)[C@H]1CCl 2185812386 ORNQBVOSDJJODA-ZDUSSCGKSA-N 470.576 4.923 50 10 JJGE O=C(N[C@H](CCl)[C@@H]1CC=CCC1)c1cc(I)ccc1Br 2196158764 AXVKBDVPAOTAAB-QMTHXVAHSA-N 468.560 4.747 50 10 JJGE CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCCCCI)C2)CC1 2220216464 LKGPLDMSHHTWQR-SFHVURJKSA-N 464.432 4.951 50 10 JJGE Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2CCBr)cc1I 2232838937 NRARGWOCZWABNG-SWLSCSKDSA-N 450.158 4.673 50 10 JJGE Cc1ccc(I)c(C(=O)N2CCCC(C)(C)[C@H]2CBr)c1 2240901103 LYWNRFSTAYJCQW-CQSZACIVSA-N 450.158 4.625 50 10 JJGE Cc1cccc(C)c1NCC(=O)NN=Cc1cc(Br)ccc1OC(=O)C=Cc1ccco1 2295172654 SDDQKYLWJNZBCK-UHFFFAOYSA-N 496.361 4.840 50 10 JJGE C=CC[C@@H](Br)[C@@H]1CCN1C(=O)c1csc(Br)c1Br 2314236000 WMJSBVPXHCYVBL-BDAKNGLRSA-N 458.013 4.827 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccccc1 2314618293 KVBPQSRLYMAYOI-UHFFFAOYSA-N 460.493 4.925 50 10 JJGE C[C@H]1CC[C@@](CBr)(NC(=O)c2ccc(Cl)cc2I)C1 2340055033 QUEHMZJCVAENEZ-LKFCYVNXSA-N 456.549 4.628 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc(Cl)cc4Cl)c(=O)c32)cc1 2198185 UAVJBJHSHRADCP-NRFANRHFSA-N 468.340 4.739 50 10 JJGE O=C(NC1CCCC1)[C@@H](c1cccc(Br)c1)N(Cc1ccccc1)C(=O)CCl 3039630 OXJBGRIAIZYPQF-OAQYLSRUSA-N 463.803 4.817 50 10 JJGE C[C@H](Nc1ccc(Br)cc1)C(=O)NN=Cc1ccccc1OCc1ccccc1 8670903 AXAXXQZQHIVCPR-KRWDZBQOSA-N 452.352 4.979 50 10 JJGE aggregator COc1cc(-c2n[nH]c3c2[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc(OC)c1OC 9986080 PJRXNOJEHOMHKX-QGZVFWFLSA-N 473.316 4.627 50 10 JJGE COc1ccccc1[C@@H]1C(C#N)=C(N)OC2=C1S(=O)(=O)N(Cc1cccc(C)c1)c1ccccc12 20558606 LNGFJSGAWQTWNL-XMMPIXPASA-N 485.565 4.530 50 10 JJGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C1/CCCc2ccccc21 33959044 WCGRKDHTYWODHI-XLNRJJMWSA-N 466.173 4.756 50 10 JJGE CCCCCN1C(=O)/C(=N\NC(=O)CCCCCNC(=O)c2ccccc2Cl)c2cc(C)ccc21 38180245 CFSNEOFLSHXCIP-GDWJVWIDSA-N 497.039 4.996 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@H]1c1cccc(F)c1 38677801 IKAZZKHEPPDNES-HSZRJFAPSA-N 450.853 4.682 50 10 JJGE O=C(N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1ccccc1[N+](=O)[O-] 59155676 MBBPSRLCSAMUSU-XLVZBRSZSA-N 476.492 4.865 50 10 JJGE COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1OC 59447416 LJJQOSZMHDQZOO-AFUMVMLFSA-N 469.335 4.809 50 10 JJGE CCCCCCCCC(=O)N1CCC[C@@H](C(=O)N/N=C(\CNC(=O)c2ccco2)c2ccccc2)C1 102040927 RLCMIMBQWNYVEX-ZMIPVRAGSA-N 494.636 4.519 50 10 JJGE O=S(=O)(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccc(CCCCl)cc1 110529301 NPURCHFLFIZMHJ-UHFFFAOYSA-N 474.976 4.820 50 10 JJGE COC(=O)c1c(-n2c(C)cc(C=NNC(=O)Cc3cccs3)c2C)sc2c1CCCC2 254293111 LLIJSPLUHJPPKF-UHFFFAOYSA-N 455.605 4.575 50 10 JJGE COc1ccc(SCC(=O)NN=Cc2cc(C)n(-c3sc(C)c(C)c3C#N)c2C)cc1 254627867 BVIAZSXSPGPWRR-UHFFFAOYSA-N 452.605 4.895 50 10 JJGE CCn1c2ccccc2c2cc(NC(=O)CC(C)=NNC(=O)c3cc(OC)cc(OC)c3)ccc21 254850699 BUZRBCPKIZSOJO-UHFFFAOYSA-N 472.545 4.966 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1[C@H]2CC[C@H]1CC(CBr)C2 719303792 YPMDGVMACWJRMC-RYUDHWBXSA-N 466.011 4.990 50 10 JJGE Cc1ccc(NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c(C)c1 729344313 FDWPOVBOVIROCZ-AREJXAQWSA-N 467.529 4.558 50 10 JJGE Cc1cc(C)n(-c2cccc(NC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)c2)n1 918131189 IFRVGTVWWKXKJT-JCMHNJIXSA-N 461.529 4.812 50 10 JJGE C[C@@H](NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)c1cccc(OC(F)F)c1 918575688 HWBUJDDXMUXZNM-VJOZSWGJSA-N 461.472 4.850 50 10 JJGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3o2)ccc1OC(=O)c1ccccc1 1084193993 HOGJBKOCGZVTJN-UHFFFAOYSA-N 475.526 4.688 50 10 JJGE CC1=C(C(=O)NN=Cc2ccccc2Cl)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 1084430974 BKSQYLKDLAZAGQ-QGZVFWFLSA-N 453.782 4.590 50 10 JJGE C#C[C@H](NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)c1ccc(Cl)cc1F 1635191756 OSCAITAXTHTURH-HKRNCWMRSA-N 457.896 4.654 50 10 JJGE CCCCc1nc(CC(=O)NNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 1860392098 XHVHUIWUIHDENN-UHFFFAOYSA-N 453.408 4.527 50 10 JJGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865700916 HPXQQRGTGJGQQQ-FQEVSTJZSA-N 450.926 4.714 50 10 JJGE CC(C)[C@H](C(=O)N[C@H](C)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866973789 GHUCFHPSWMPWOR-KUHUBIRLSA-N 460.397 4.905 50 10 JJGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CNS(=O)(=O)c3ccc(C)cc3)n2)cc1 1872750051 UROGWKKZZDMBIU-XDOYNYLZSA-N 469.588 4.679 50 10 JJGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1ccc(CCl)cc1Br 1912993708 XGGLLKBRIBFVQW-UHFFFAOYSA-N 458.743 4.602 50 10 JJGE COc1ccc(Br)c(CN(C)C[C@H](Br)COCc2ccccc2)c1 1916366295 HWKGJJWNXDBCER-KRWDZBQOSA-N 457.206 4.870 50 10 JJGE Cn1nc([C@H](Br)Cc2ccncc2Br)c(Br)c1Cl 2048147866 MTWYVZCIRCWRMP-SSDOTTSWSA-N 458.379 4.672 50 10 JJGE CCN(C[C@@](C)(CI)OC[C@H]1CCCC(C)(C)O1)C(=O)OC(C)(C)C 2065754161 APGAMIQRBWZMOU-DNVCBOLYSA-N 469.404 4.801 50 10 JJGE C=CCC[C@H](CBr)NC(=O)c1cc(Br)ccc1I 2075328056 CWKFRYQLSLCJIB-SNVBAGLBSA-N 486.973 4.513 50 10 JJGE C[C@H]1C[C@H](CBr)CN(C(=O)c2cccc(Br)c2Br)C1 2092329777 AAWQEMFTFVHWST-VHSXEESVSA-N 454.000 4.705 50 10 JJGE C[C@H]1C[C@H](Br)CCN(C(=O)c2cccc(Br)c2Br)C1 2103290400 ASVXWMVMGMNMAT-VHSXEESVSA-N 454.000 4.847 50 10 JJGE Fc1cc(Br)cc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)c1CBr 2114266943 ZZJNVCIUZKTIES-PMACEKPBSA-N 484.207 4.573 50 10 JJGE O=S1(=O)CCC([C@@H](Br)c2scc(C(F)(F)F)c2Br)CC1 2146095305 NIAYMPJIXARYGB-MRVPVSSYSA-N 456.143 4.790 50 10 JJGE C[C@H](Br)C12CCC(CC1)N2S(=O)(=O)c1cc(Cl)c(Br)s1 2153392558 GRHYGHORQRIYSZ-ZOTTZIKWSA-N 463.644 4.633 50 10 JJGE O=C(NCC1CC2(CC[C@@H]2Cl)C1)c1cc(I)ccc1Br 2195350969 SVZKRKFKMFOIQR-MEXZMNCTSA-N 468.560 4.581 50 10 JJGE C[C@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)ccc1Cl 2197752615 AHNCPXMWOKNIOQ-HXUWFJFHSA-N 472.832 4.995 50 10 JJGE BrC[C@@H]1CC[C@H]2CN(Cc3cccc(Br)c3Br)C[C@H]2O1 2289347189 IHMGGBYPOPMISW-VHRBIJSZSA-N 468.027 4.586 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=CC=Cc3ccccc3)n2-c2ccccc2)cc1OC 2293188354 YUVXEGWWCPOHCI-UHFFFAOYSA-N 499.596 4.859 50 10 JJGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)cc1 2296542803 UGYPFVBOOMLPFB-UHFFFAOYSA-N 454.461 4.788 50 10 JJGE CCOC(=O)COc1ccc(Br)cc1C=C(C#N)c1nc2cc(C)c(C)cc2[nH]1 2297380655 OWCLKZWNDJLMIA-UHFFFAOYSA-N 454.324 4.948 50 10 JJGE CCCN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)C(C)=C(C#N)C1=O 2314611252 RPFBZVPPPMZCCK-UHFFFAOYSA-N 450.922 4.930 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)c1OC 2314634691 ZTDPGTWCARABQS-RUZDIDTESA-N 454.482 4.541 50 10 JJGE COc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(OC)cc3)N(c3ccccc3)C2=O)cc1 2360501 OHZLTEYKKDMZEZ-GUNDDFSMSA-N 485.565 4.769 50 10 JJGE Cc1nnsc1C(=O)N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl 4210202 GCMQNRPCXJIAFK-LSHDLFTRSA-N 456.936 4.698 50 10 JJGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)c1 10671062 WDBCLPXMRJTIOF-GFCCVEGCSA-N 461.996 4.681 50 10 JJGE CC(C)(C)c1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1Br 12492674 LDSCAHDFYYFKTM-UHFFFAOYSA-N 474.182 4.893 50 10 JJGE Cc1ccc(OCC(=O)NNC(=O)c2ccc(C(C)(C)C)c(Br)c2)c(Br)c1 12492735 YLQOQEZHTADVHB-UHFFFAOYSA-N 498.215 4.658 50 10 JJGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 14031701 AXZRPVSYRANAJE-GOSISDBHSA-N 469.566 4.610 50 10 JJGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccc(C)c(C)c1 14768700 NPTGVCJYKYEORN-RUZDIDTESA-N 473.573 4.694 50 10 JJGE N#C/C(=C/c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)C(=O)NCc1ccccc1 96594488 ZHXMOPWLEBBMJP-ZHZULCJRSA-N 452.489 4.642 50 10 JJGE CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1C 97657776 FSKONYOYPZTIEI-MXDDHBLUSA-N 464.591 4.662 50 10 JJGE O=C(NC[C@H]1CCC[C@@H](Cl)C1)c1cc(I)ccc1Br 227745334 JYUNURKERTZHBH-VHSXEESVSA-N 456.549 4.581 50 10 JJGE COc1ccc(C=NNC(=O)c2sc3nc(C)cc(C)c3c2NC(=O)c2ccccc2OC)cc1 254595813 OOLJJNLLVZQLNX-UHFFFAOYSA-N 488.569 4.947 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(F)c(F)c2)C1 382696101 KSLUIWWOXFNRSS-HZPDHXFCSA-N 457.258 4.752 50 10 JJGE FC(F)(F)[C@@H]1CN(Cc2cc(Cl)ccc2I)C[C@H]1CBr 709855906 SRALYUMUKLRIAW-MWLCHTKSSA-N 482.509 4.950 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)N2CCCc3ccccc32)c(-c2ccc(Cl)cc2)n1 782094169 DIFXPLJAPJXLPX-QNGOZBTKSA-N 499.958 4.547 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(CN3CCCC3=O)c2)c(C)n1-c1ccc(F)cc1 914610767 AJHDCEQMMHOFQQ-JCMHNJIXSA-N 456.521 4.901 50 10 JJGE Cc1cc(C=NNC(=O)CC(=O)NCc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 1084108650 PPMSBEKSZJVOTP-UHFFFAOYSA-N 457.361 4.558 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1cccc(C)c1 1084352379 LAHIAUXXLHCZJZ-FMCGGJTJSA-N 470.525 4.925 50 10 JJGE N#CCOc1c(Br)cc(C=NNC(=O)c2cc3ccccc3o2)cc1Br 1084629613 RRUVYBJPOMWYBC-UHFFFAOYSA-N 477.112 4.624 50 10 JJGE C#C[C@@H](NC(=O)NNc1ccc(Br)cc1Cl)c1ccc(Br)cc1 1564998842 CXWFROSSLTWPBM-CQSZACIVSA-N 457.553 4.866 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681733 VGCZJHSXGNYVPU-XMMPIXPASA-N 464.525 4.839 50 10 JJGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)c1 1865693571 KRDYAMPHBNKVIJ-LJQANCHMSA-N 454.452 4.957 50 10 JJGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696020 JUANYVLNHQCKAT-HXUWFJFHSA-N 483.341 4.709 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865711516 ALJOELIGBCYHCO-HSZRJFAPSA-N 450.498 4.775 50 10 JJGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)c1cc2ccccc2oc1=O 1865759443 ARXIHYAXXSEUBI-UHFFFAOYSA-N 468.296 4.545 50 10 JJGE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1 1866128367 NCUIZPCEZHRMJR-QGOAFFKASA-N 455.942 4.520 50 10 JJGE CCC[C@@H](NC(=O)c1c(C)cc(C)n(-c2ccccc2)c1=O)C(=O)Nc1ccc(SC#N)cc1 1867208803 ADMDCZAHSAEZLR-JOCHJYFZSA-N 474.586 4.565 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@H](Cl)CCc1ccc(Cl)cc1I 1889667043 QBTCICHMVICBEJ-CYBMUJFWSA-N 474.125 4.781 50 10 JJGE O=C(NC[C@H]1CCCC2(CCC2)[C@@H]1Br)c1csc(I)c1 1924848567 ZGGJUOKLXMFWMM-ZWNOBZJWSA-N 468.198 4.816 50 10 JJGE CC[C@@H](C)[C@H](CI)NC(=O)c1cc(Br)sc1Br 2023038201 SRELNVDKYDKDHE-SVRRBLITSA-N 495.018 4.853 50 10 JJGE CCC[C@H](CBr)CNC(=O)c1ccc(Br)cc1I 2086140283 ZYEVZNWXQJFHOL-SECBINFHSA-N 488.989 4.595 50 10 JJGE FC(F)(F)CN(CCBr)Cc1ccc(I)c(Cl)c1 2086652815 SDFUTGAXJHPFGE-UHFFFAOYSA-N 456.471 4.704 50 10 JJGE C[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)[C@H](C)C[C@@H]1Br 2093110625 DDBVGGXPSFCAJZ-KKZNHRDASA-N 456.549 4.579 50 10 JJGE C[C@H]1CC[C@@H](CBr)N(C(=O)c2cc(Br)cc(Br)c2)C1 2110616255 JXVRQXNDAHXNSD-ZANVPECISA-N 454.000 4.847 50 10 JJGE CC(C)[C@H]1[C@H](Cl)CCN1C(=O)c1cc(I)ccc1Br 2126095925 UTZGNQCVBJMKNQ-OLZOCXBDSA-N 456.549 4.532 50 10 JJGE O=S(=O)(c1ccc(CBr)c(Cl)c1)N1CCC[C@H](OCc2ccccc2)C1 2129813691 FMUNFVRXDXBJNE-KRWDZBQOSA-N 458.805 4.605 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@@H](Br)C(F)(F)F)C[C@@H]1c1ccccc1 2185529656 OVJCDFBBDHMUMU-BZUAXINKSA-N 451.327 4.553 50 10 JJGE O=C(NC[C@@]1(CCl)C[C@@H]1C(F)(F)F)c1cc(Br)sc1Br 2192571747 DXUYFONZRWUBOP-WKEGUHRASA-N 455.521 4.810 50 10 JJGE CC(C)(CCBr)CNC(=O)Cc1cc(Br)cc(Br)c1 2277934585 ASUDFJKIXYSXPU-UHFFFAOYSA-N 456.016 4.682 50 10 JJGE CS(=O)(=O)[C@H]1C[C@H]([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)C1 2285275029 QJONZHPXJXITCP-VGIXGZPDSA-N 452.542 4.640 50 10 JJGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCCc3ccccc3)N(c3ccc(F)cc3)C2=O)cc1 2296834973 IDNQIUZWKCILIZ-VWLOTQADSA-N 485.584 4.919 50 10 JJGE C[C@H]1CCN(Cc2ccc(I)c(Br)c2)[C@H]1CBr 2306219022 HPTUUHJWKVKQRE-ZANVPECISA-N 472.990 4.659 50 10 JJGE COc1cc(C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314618292 KUZMQERMICSTCV-UHFFFAOYSA-N 492.547 4.821 50 10 JJGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 10683686 JHYGJMHLHPPQMN-RDTXWAMCSA-N 497.817 5.000 50 10 JJGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)c(Oc3ccccc3)nc12 33365337 HCRWXXNMNMJBRY-ZHZULCJRSA-N 477.929 4.787 50 10 JJGE COc1c(Br)cc(Br)cc1/C=C(/C#N)c1nn(-c2ccccc2)c(N)c1C#N 33400620 HHFDHAZWQQCASV-QPEQYQDCSA-N 499.166 4.924 50 10 JJGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NC3CCCCC3)c(Oc3ccc(Cl)cc3)nc12 33648158 SFHAASCDTMGXJT-VKAVYKQESA-N 462.937 4.805 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1nccs1 35520051 MWRNECPBJXKUEH-XDHOZWIPSA-N 476.558 4.838 50 10 JJGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc1 39992930 QBWXVEOEBXERLV-HMMYKYKNSA-N 480.524 4.912 50 10 JJGE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)CCC3)c1 40812993 KGUOMPHEKMAPPV-NHFJDJAPSA-N 460.490 4.836 50 10 JJGE CCOc1ccc(NC(=O)c2cccc(I)c2)cc1CBr 124259621 BLGFCTLTTDEXNB-UHFFFAOYSA-N 460.109 4.837 50 10 JJGE CCOc1ccc(C)cc1[C@H](C)NC(=O)/C(C#N)=C\NCCc1ccccc1Br 217187650 ZKPHTIUOGJNVCW-STZPCZCHSA-N 456.384 4.573 50 10 JJGE CCCCCOc1ccc(CN2C(=O)C(=NNC(=O)c3ccc(O)cc3)c3ccccc32)cc1 245263832 BDDXZUUDSOJLGY-UHFFFAOYSA-N 457.530 4.642 50 10 JJGE CCCCCOc1ccc(CN2C(=O)C(=NNC(=O)COc3ccccc3)c3ccccc32)cc1 245267828 MOSDOBBDNCUPKU-UHFFFAOYSA-N 471.557 4.702 50 10 JJGE CC(C)(CBr)CCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 385894489 NMKZYIDXAGDHJT-UHFFFAOYSA-N 468.038 4.845 50 10 JJGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)NN=Cc1cccc(Cl)c1Cl 1083915711 HQYFUZLKNKVUGZ-UHFFFAOYSA-N 474.417 4.799 50 10 JJGE CC(=NNC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1cccc(I)c1 1084422568 DAUUYIVFUHBVQT-LBPRGKRZSA-N 458.752 4.966 50 10 JJGE O=C(CBr)Nc1ccc(Oc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)cc2)cc1 1859474810 RYZNZAFEMJKXQN-RBUKOAKNSA-N 475.339 4.642 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)ccc1O 1865681516 PODQNAIXOJHLQQ-NRFANRHFSA-N 468.916 4.609 50 10 JJGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1OC 1865711213 SIXGUPHXTGSAOA-VWLOTQADSA-N 468.513 4.578 50 10 JJGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)Cc1c(F)cccc1F 1865759239 PMFROWINLQAEFL-UHFFFAOYSA-N 450.272 4.646 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)c(OC)c1OC 1872759313 KEMMEUZYQKQXLP-VSGPLIKPSA-N 491.569 4.677 50 10 JJGE N#C/C(=C(/O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873940866 LEABCAPVMNMMLL-ZZEZOPTASA-N 460.471 4.587 50 10 JJGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(I)cc1 1914660873 FWIWHEIPZBLTCB-CYBMUJFWSA-N 458.137 4.717 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C 1985349574 BEUMLNPOLGYLQY-IAGOWNOFSA-N 463.710 4.708 50 10 JJGE Cc1c(Cl)cc(C(=O)NC(C)(CBr)CBr)cc1Br 2048498848 YFRQDBONVIMNPV-UHFFFAOYSA-N 462.407 4.689 50 10 JJGE FC(F)(F)Oc1c(CBr)ccc(I)c1Br 2054834537 NJHOYEJQYBQDNO-UHFFFAOYSA-N 459.825 4.847 50 10 JJGE CC1(C)[C@@H](Cl)CC[C@H]1NC(=O)c1cc(Br)ccc1I 2142127856 XFEODNKPSWEFGX-NWDGAFQWSA-N 456.549 4.580 50 10 JJGE O=C(N[C@@H](CBr)C1CCCCC1)c1cc(I)ccc1F 2169666730 BGMSCWQCQURDFJ-AWEZNQCLSA-N 454.121 4.504 50 10 JJGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 2209470333 SGOCIKXMYMJEJN-MWDXBVQZSA-N 461.441 4.948 50 10 JJGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)Cc1ccccc1Br 2210633104 RXIYUNMDOSAOOE-AWEZNQCLSA-N 461.219 4.565 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1CCCCCI 2214705205 ONRVDXCFNLZLNI-SJORKVTESA-N 450.405 4.846 50 10 JJGE Cc1ccc(C(=O)N[C@H](CBr)C2CCCCC2)cc1I 2232825206 DKFLCUHVULYPNL-OAHLLOKOSA-N 450.158 4.673 50 10 JJGE Cc1ccc(C(=O)N(C)C[C@@H](Br)C2CCCC2)cc1I 2232831379 RRJOFRBDBWAULP-CQSZACIVSA-N 450.158 4.625 50 10 JJGE O=C(NC[C@@H](Br)c1ccccc1)c1ccc(Cl)c(I)c1 2283651179 DGTWIUHVICMNHL-GFCCVEGCSA-N 464.528 4.811 50 10 JJGE C[C@@H](Br)CN(CC(C)(C)C)C(=O)c1c(F)cccc1I 2288054460 XVDQFSILVVEVKT-SNVBAGLBSA-N 456.137 4.702 50 10 JJGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccccc3)C2=O)cc1Cl 2296834836 LEERPPPFOUYQOH-JOCHJYFZSA-N 477.973 4.984 50 10 JJGE C[C@]1(CBr)CCN(Cc2ccc(I)c(Br)c2)C1 2306219176 JFRABCOMNSTOEV-CYBMUJFWSA-N 472.990 4.661 50 10 JJGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593987 XCLVLWVXXBWHDX-DFBJGRDBSA-N 483.593 4.999 50 10 JJGE C[C@H](Br)CN(c1ncc(I)cc1Br)C1CCCC1 2320005689 DPZIWUBSQIIJRI-VIFPVBQESA-N 488.005 4.981 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](OCc2cccc(C(F)(F)F)c2)[C@H](I)C1 2327926431 KZUZFERUJZRYEW-KGLIPLIRSA-N 471.257 4.645 50 10 JJGE Cc1ccc(S(=O)(=O)NCC(O)=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1 2331394738 RTTAQHIHKGCBJV-UHFFFAOYSA-N 453.589 4.815 50 10 JJGE CN(CC[C@H](Br)c1cccs1)C(=O)c1ccccc1I 2365983780 CLLNHYLMUMOTJQ-LBPRGKRZSA-N 464.166 4.951 50 10 JJGE CC(C)CO[C@@H]1[C@@H](Cl)C[C@@H]1OCc1ccc(I)c(Br)c1 2377595357 OOUOHBLJIQDEGD-AEGPPILISA-N 473.576 4.991 50 10 JJGE O=C(N[C@@H]1C[C@@H](CBr)C12CCC2)c1ccc(I)c(Cl)c1 2379697936 WMTKCHARRALWDP-GXFFZTMASA-N 468.560 4.628 50 10 JJGE COc1c(Br)cc(C=NNC(=O)c2ccccc2-n2cccc2)cc1Br 8396685 WLWWTEXEUKZLID-UHFFFAOYSA-N 477.156 4.775 50 10 JJGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)c1ccc(OC)c(Br)c1 10683411 UYMCUZAPBWLHAG-KBXCAEBGSA-N 463.372 4.590 50 10 JJGE COc1cc(Cl)c(Cl)c(/C=N/NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)c1O 27520227 UCEJELYSCCTRBF-KBKYJPHKSA-N 476.291 4.863 50 10 JJGE CCc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc1 40814650 INYIQACLMRGQIA-SZXQPVLSSA-N 475.501 4.677 50 10 JJGE COc1ccc(Cc2nc3cc(C(=O)N/N=C\c4ccc(C(F)(F)F)cc4)ccc3[nH]2)cc1 169925562 MVQKFFZIGZTTPD-MUXKCCDJSA-N 452.436 4.945 50 10 JJGE O=C(N[C@H]1CCCC[C@@H]1CBr)c1ccc(I)c(Cl)c1 231612735 VRAJGUTZJVRMMI-MFKMUULPSA-N 456.549 4.628 50 10 JJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OCC)cc3)cc2OC)cc1 254288229 BQESWRMHSLFBJP-UHFFFAOYSA-N 476.529 4.866 50 10 JJGE CCOC(=O)c1oc2ccc(CCC(C)=NNC(=O)c3ccc(OC)c(OC)c3)cc2c1C 254624987 VCKAKDXHEMGBDU-UHFFFAOYSA-N 452.507 4.674 50 10 JJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccccc2)cc1OC 254683069 OVMGGPBIELMNDZ-UHFFFAOYSA-N 454.482 4.840 50 10 JJGE COc1ccc(CC(=O)Nc2cccc(C(C)=NNC(=O)c3c(O)ccc4ccccc34)c2)cc1 254825386 YDQGLBLNXIYHEV-UHFFFAOYSA-N 467.525 4.889 50 10 JJGE CCCCOc1ccc(OCC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)cc1 254832960 YAFZSHUJAFETPW-UHFFFAOYSA-N 462.546 4.982 50 10 JJGE CC1(C)C[C@@H](Br)CCN(C(=O)c2cc(Cl)ccc2I)C1 395350307 RKONUDKFUYDCER-JTQLQIEISA-N 470.576 4.970 50 10 JJGE O=C(COc1ccc(C=NNC(=O)C(c2ccccc2)c2ccccc2)cc1)Nc1ccccc1 1084348376 AHWBJYAYYZWOSS-UHFFFAOYSA-N 463.537 4.986 50 10 JJGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(N(C)C)cc2)cc1 1865683526 LUGMJRLFNRQPSM-DEOSSOPVSA-N 463.541 4.832 50 10 JJGE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865697090 WVGVZDUBKSVRCI-IBGZPJMESA-N 471.742 4.580 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865706004 LOFFRKMKRVVSBU-INIZCTEOSA-N 475.814 4.730 50 10 JJGE COc1cc(/C=N\NC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)cc(Br)c1O 1865760832 QZDSUGHRQGJWTL-MRUKODCESA-N 476.277 4.576 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H](Br)C1)c1csc(Br)c1Br 2032953283 GMRFFVATXXYNBC-HTQZYQBOSA-N 460.029 4.957 50 10 JJGE Cc1cccc(-n2c(C)cc(C=C(C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)c2C)c1 2040448373 OCDQGQQGPMXLFC-UHFFFAOYSA-N 464.573 4.884 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)OCc1ccccc1)C2)c1ccc(CBr)cc1 2106202764 YXODCAJJEFWIIU-HMXCVIKNSA-N 457.368 4.501 50 10 JJGE CC[C@@H](Br)CN(C(=O)c1cc(Br)cc(Br)c1)C1CC1 2107408033 UEWRJFSRNGSGFW-SNVBAGLBSA-N 454.000 4.990 50 10 JJGE C[C@]1(CCl)CCCN(C(=O)c2ccc(Br)cc2I)C1 2142287858 GVVVMWTWHHLUJG-CQSZACIVSA-N 456.549 4.535 50 10 JJGE CN(C[C@@H](Cl)C1CCCC1)C(=O)c1ccc(I)c(Br)c1 2167653605 ZGOAGDALOMKSAB-CYBMUJFWSA-N 470.576 4.923 50 10 JJGE Cc1sc(C)c(S(=O)(=O)N[C@@H](CBr)c2cccs2)c1Br 2175670011 ARPLXDIFRDRZPE-VIFPVBQESA-N 459.250 4.603 50 10 JJGE O=S(=O)(c1cc(CBr)c(Cl)cc1Cl)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2179830683 NLMPOGHDHVQCRD-CVEARBPZSA-N 490.250 4.536 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](O[C@H]2CCCC[C@H]2C(F)(F)F)C1 2217090325 INIGMMCKXUXBLY-MROQNXINSA-N 463.278 4.547 50 10 JJGE C[C@]1(CBr)CCCCN1C(=O)c1ccc(Cl)c(I)c1 2268341748 QLORQVSCVJTUCK-CQSZACIVSA-N 456.549 4.724 50 10 JJGE O=C(NCC[C@@H]1CCC[C@@H]1Br)c1ccc(Cl)c(I)c1 2268349245 ZZXWQZCJNKHVDR-ONGXEEELSA-N 456.549 4.628 50 10 JJGE COc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)c1 2296849793 UTKJOGZWHIRNNW-UHFFFAOYSA-N 472.888 4.694 50 10 JJGE CC[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@H]1Br 2306226323 YQBVADBEGUCUBW-ZYHUDNBSSA-N 472.990 4.659 50 10 JJGE BrC[C@H]1C[C@@H]2CC[C@H]1N2Cc1ccc(I)c(Br)c1 2325225901 KBIMHLAYZBNDSE-UHIISALHSA-N 485.001 4.802 50 10 JJGE CCCCOc1ccc(C=NNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1OCC 2328827643 NROCUPVHLIFQDO-QFIPXVFZSA-N 483.609 4.850 50 10 JJGE C[C@@H]1c2ccc(CNC(=O)C(C#N)=Cc3cccc(Br)c3)n2CCN1C(=O)OC(C)(C)C 2329693184 QCAJZEGEBLEPIS-MRXNPFEDSA-N 499.409 4.786 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2CC[C@H]1C[C@@H]2Br 2362205629 BUHSHPUORDZSKN-SWHYSGLUSA-N 466.011 4.529 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H]2CC(Br)C[C@@H](C2)C1 2364148171 GJKMALQZJVSPAV-NXEZZACHSA-N 468.560 4.580 50 10 JJGE Cc1ccc([C@@H](C(=O)NC2CCCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)CCl)cc1 3038866 FXKKDSQMOZENJZ-VWLOTQADSA-N 470.997 4.871 50 10 JJGE COc1ccc(N(C(=O)CCl)[C@@](C)(C(=O)Nc2c(C)cccc2C)c2ccccn2)cc1 4789158 VVMQRJVZHNVBRO-RUZDIDTESA-N 451.954 4.833 50 10 JJGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1 14030577 GKELPDLILIUCQJ-UHFFFAOYSA-N 461.996 4.539 50 10 JJGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 14038789 HCTJWYFHXXHUKC-IBGZPJMESA-N 459.546 4.711 50 10 JJGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc2ccccc2c1 14668164 VKTPWSNLHQXKNX-UHFFFAOYSA-N 485.378 4.505 50 10 JJGE COc1cc(/C=C(/C#N)c2ccccc2)ccc1OC(=O)CCCN1C(=O)c2ccccc2C1=O 31901884 SOPXMOKSFLEYFQ-PGMHBOJBSA-N 466.493 4.741 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Cl)cc2Br)cc1 40993179 PIQPPNAFLQVLEQ-LFIBNONCSA-N 491.769 4.910 50 10 JJGE O=S(=O)(Nc1ccc(CBr)cc1)c1cc(Br)ccc1Br 136885089 GIKZOVYCNSOWIJ-UHFFFAOYSA-N 484.007 4.907 50 10 JJGE CC(=NNC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2C)c1cc(Br)cs1 254737737 ZMWUCWAUXCXYLC-UHFFFAOYSA-N 458.385 4.701 50 10 JJGE CCN(N=Cc1ccc2c(c1)OCO2)C(=O)c1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 254799018 RLELBJHECXCWLD-UHFFFAOYSA-N 478.417 4.520 50 10 JJGE COc1ccc(F)cc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382694374 WXUQNDRBAMXXAT-QAPCUYQASA-N 469.294 4.622 50 10 JJGE ClCc1nc2cc(I)ccc2n1C1[C@H]2CN(Cc3ccccc3)C[C@H]12 398344479 LYBWGUJZAZPRJN-HOTGVXAUSA-N 463.750 4.683 50 10 JJGE C[C@H]1C[C@H](CBr)CN(c2ncc(C(F)(F)F)cc2I)C1 686109245 RMRAODOFUHBWIW-DTWKUNHWSA-N 463.079 4.562 50 10 JJGE CN(C[C@@H]1CCC[C@H]1Br)C(=O)c1cc(Br)ccc1Br 689220307 VVIAIUJPXKPHBM-JOYOIKCWSA-N 454.000 4.847 50 10 JJGE Cc1cc(C=NNC(=O)CC(=O)NCc2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 725400669 HJWJFTFVZVYWNC-UHFFFAOYSA-N 457.361 4.558 50 10 JJGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2c(Cl)cccc2Cl)cc1)c1ccccc1 1083898748 MWGBRXDTZPUBCG-UHFFFAOYSA-N 476.385 4.724 50 10 JJGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1ccccc1O 1084485230 CWHLMYQGIFWZQC-UHFFFAOYSA-N 485.613 4.781 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865700688 BFNJONZUXORTGJ-NRFANRHFSA-N 482.943 4.912 50 10 JJGE CCCC[C@H](NC(=O)[C@H]1CCCN1Cc1ccccc1F)C(=O)Nc1ccc(SC#N)cc1 1866918810 MZZIBZBEDKLDMS-XZOQPEGZSA-N 468.598 4.677 50 10 JJGE CN(C)c1ccc(/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1[N+](=O)[O-] 1872751265 ZHFKSLXWJQQVCQ-QNGOZBTKSA-N 450.476 4.505 50 10 JJGE Cc1c(/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1872752582 KFYCLNAIXBVCDZ-RGEXLXHISA-N 452.404 4.614 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNS(=O)(=O)c3ccc(C)cc3)n2)cc1Cl 1872757842 YKFILPJJHPZITK-MNDPQUGUSA-N 475.979 4.552 50 10 JJGE C[C@H](c1ccc(I)cc1)[C@@H](CBr)NC(=O)OC(C)(C)C 1882088186 PEHPUBDIOSRWGR-ZWNOBZJWSA-N 454.146 4.683 50 10 JJGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br 2059264417 FRHLVAAPAXMKEA-UHFFFAOYSA-N 495.233 4.555 50 10 JJGE CC1(C)CC[C@@H](Br)CN1C(=O)c1cccc(Br)c1Br 2099873967 IVIKVQKFIFANRK-SECBINFHSA-N 454.000 4.990 50 10 JJGE C[C@H](Br)CCc1cn(Cc2cccc(Br)c2Br)nn1 2132761476 OSGUSILFWPMHIM-VIFPVBQESA-N 451.988 4.567 50 10 JJGE FC1(F)CCN(Cc2ccc(I)c(Cl)c2)CC[C@H]1Br 2142949642 LKSJLUXWDZJKSH-GFCCVEGCSA-N 464.519 4.939 50 10 JJGE CCC[C@H](Br)c1cn(Cc2ccc(I)c(Cl)c2)nn1 2142959133 UBHAWBLACBCJAN-JTQLQIEISA-N 454.537 4.821 50 10 JJGE O=C(N[C@@H]1CCCC[C@@H]1CCBr)c1ccc(F)cc1I 2146720607 UVJUXHHJTLOXTE-QMTHXVAHSA-N 454.121 4.504 50 10 JJGE O=C(c1csc(Br)c1Br)N1[C@H]2CC[C@H](Br)[C@H]1CC2 2222292805 BOXQZUBKIHSBFO-CNUIFLNQSA-N 458.013 4.804 50 10 JJGE C[C@H](Cl)c1nc2cc(I)ccc2n1Cc1conc1Br 2239107664 BSEWOWOXZFTAAD-ZETCQYMHSA-N 466.504 4.740 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(Br)c(F)cc1Cl 2270418579 QKOCQOLDHQORET-UHFFFAOYSA-N 487.844 4.878 50 10 JJGE C[C@@H](Br)CN(C(=O)c1c(Br)cccc1Br)C1CCC1 2272440787 DEYKLNFXEXAVDW-SECBINFHSA-N 454.000 4.990 50 10 JJGE Cc1ccc(C(=O)N[C@H](CCCl)COCc2ccccc2)cc1I 2303700095 GDIYXBAMLHOFBY-QGZVFWFLSA-N 457.739 4.544 50 10 JJGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 2314617773 AKVQRXSSYPWHBG-DEOSSOPVSA-N 492.579 4.927 50 10 JJGE BrC[C@]12C[C@H](CCN1Cc1ccc(I)c(Br)c1)C2 2325227657 BWPMUUFBNWIBLE-VDISTLRHSA-N 485.001 4.803 50 10 JJGE Cl[C@@H]1CCC[C@@H]2CN(Cc3ccc(I)c(Br)c3)C[C@@H]21 2349855824 REIOTLLUVFSUTN-MBNYWOFBSA-N 454.577 4.893 50 10 JJGE O=C(NC[C@@]12CCC[C@]1(CBr)C2)c1ccc(Cl)cc1I 2365585721 DSNMLUDLZKTDDW-CABCVRRESA-N 468.560 4.630 50 10 JJGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1 14022099 SXKKIZDDUOTMQE-UHFFFAOYSA-N 475.614 4.579 50 10 JJGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NCc4ccccc4Cl)c(C)c32)cc1 40813783 WMCRNPPPOVWCST-VFCFBJKWSA-N 465.937 4.650 50 10 JJGE Cc1cccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)c1 40912312 GTMYYMGGRLSZSH-AFUMVMLFSA-N 453.336 4.866 50 10 JJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccc(Cl)cc3Cl)C2=O)cc1OC 101232942 BPKZAYXJGDHUFC-QGOAFFKASA-N 486.355 4.758 50 10 JJGE O=S(=O)(NC[C@@H](Br)c1ccccc1)c1ccc(Br)cc1Cl 136755590 BTHBVCIBXXQIET-GFCCVEGCSA-N 453.583 4.517 50 10 JJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2cccc(C)c2)cc1OC 254554993 NWTJGTZEFRSNEU-UHFFFAOYSA-N 498.535 4.914 50 10 JJGE Cc1cc(C)cc(CSCC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c1 254702752 FGMPGLRZTSSMPD-UHFFFAOYSA-N 479.577 4.844 50 10 JJGE O=C(CNC(=O)c1cccc(F)c1)NN=C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1 254770830 RFNFCZNOVSUKQC-UHFFFAOYSA-N 465.528 4.986 50 10 JJGE O=C(CCCc1ccccc1)NNC(=O)c1cccnc1Oc1ccc(F)cc1Br 727716183 DRHXZDCQUSVPNI-UHFFFAOYSA-N 472.314 4.559 50 10 JJGE CCN(CC)c1c(C=NNC(=O)c2ccccc2Br)c(C)nn1-c1ccccc1 1083927179 IRPMKMVCEHJYPU-UHFFFAOYSA-N 454.372 4.553 50 10 JJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(CCOc2ccccc2)c2ccccc21 1084151361 QQLBIHIUCOBTBP-INIZCTEOSA-N 498.366 4.707 50 10 JJGE COc1cc(C=NNC(=O)COc2ccccc2)cc(Br)c1OCc1ccccc1 1084207860 LOMVXHPDOIAHFX-UHFFFAOYSA-N 469.335 4.566 50 10 JJGE Cc1c(C(=O)N2CCCC[C@@H]2C)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772746780 GYGBVWPZVASEEE-JTQLQIEISA-N 485.400 4.592 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OC(=O)c1ccccc1 1865705044 KQBOFXVZQGRCEG-RUZDIDTESA-N 478.508 4.627 50 10 JJGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865706777 FIMRGQTXGFAERY-HXUWFJFHSA-N 468.916 4.609 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)c(OC)c1 1865707974 KWRTXQFTYAJAFZ-GOSISDBHSA-N 490.869 4.839 50 10 JJGE CCc1nn(C)c([C@H](Br)Cc2ncccc2Br)c1Br 1877175067 KRXCCKRIUKEENZ-SECBINFHSA-N 451.988 4.581 50 10 JJGE Brc1cc(Br)c(OC[C@H]2C[C@@H]2Br)c(CNC2CC2)c1 1887832694 ITIRAKSRIASGDK-SKDRFNHKSA-N 454.000 4.626 50 10 JJGE O=S(=O)([C@H]1C[C@H](OCc2ccccc2)C1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1958928335 MWGGVLSYDBQJNO-DNVJHFABSA-N 478.452 4.740 50 10 JJGE CC(C)(C)[C@@H](CBr)NC(=O)c1ccc(Br)cc1I 2086148561 CICPCCYTEJUNST-LLVKDONJSA-N 488.989 4.593 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 2094581157 NHUQMYDPAWINBJ-OYNCUSHFSA-N 472.040 4.909 50 10 JJGE CO[C@@]1(CBr)CCCN(Cc2cc(Br)ccc2Br)C1 2118519852 OJTPEQUFFATTRH-CQSZACIVSA-N 456.016 4.588 50 10 JJGE CC(C)C[C@H](CBr)CNC(=O)c1ccc(Br)cc1Br 2120743793 ZISBDBLPUVAFKF-SNVBAGLBSA-N 456.016 4.999 50 10 JJGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)N1CCC(CBr)CC1 2123242247 UEPHMFHVWWYGDM-MRXNPFEDSA-N 457.459 4.663 50 10 JJGE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(CCCCCCCCCBr)C2)C1 2126372537 UBORXXLBGLWZLF-UHFFFAOYSA-N 451.471 4.831 50 10 JJGE C[C@@H](Br)CCCc1cn(-c2ccc(Br)c(Br)c2)nn1 2132759752 RTGROCBBFGNHHS-SECBINFHSA-N 451.988 4.898 50 10 JJGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC[C@H](Br)CC12CCC2 2169880090 CAVQZASETKRFDQ-QMMMGPOBSA-N 463.644 4.635 50 10 JJGE CC[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)c(OC)c(OC)c1 2179826977 ZLFTWCVTLXGYBR-HNNXBMFYSA-N 456.402 4.588 50 10 JJGE CC[C@H](C)[C@@H](CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2201194948 GZXDIBPJNJMAIM-WRWORJQWSA-N 468.038 4.844 50 10 JJGE O=C(NC[C@]12CCC[C@]1(CBr)C2)c1cccc(Br)c1Br 2208032147 GMUDYCODWZXHLB-HUUCEWRRSA-N 466.011 4.897 50 10 JJGE Cc1ccc(C(=O)N2CCC[C@@H]2C(C)(C)CBr)cc1I 2232825256 FQRHQCWBXVZLMS-CQSZACIVSA-N 450.158 4.625 50 10 JJGE Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H](CBr)C2)cc1I 2232828761 STFSIBWZVITQRB-CHWSQXEVSA-N 450.158 4.531 50 10 JJGE C=CC[C@]1(CBr)CCN(C(=O)c2cc(Cl)ccc2I)C1 2287748830 VGLCIIROKHATKF-OAHLLOKOSA-N 468.560 4.748 50 10 JJGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)NCCc2ccccc2)cc1 2293039152 JCLWGOJGSISLEN-VWLOTQADSA-N 485.584 4.919 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc([N+](=O)[O-])c2)sc2c1CC[C@@H](CC)C2 2314571838 MZTXCUQDOGTJBY-CQSZACIVSA-N 453.520 4.894 50 10 JJGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=CNc1ccccc1C(=O)c1ccccc1 2314585783 TYGZDJXHOJXCNR-UHFFFAOYSA-N 461.521 4.665 50 10 JJGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(CC)cc1 2314594081 YVPBQKBDBXYGBF-NRFANRHFSA-N 451.979 4.631 50 10 JJGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1cccc2cccnc12 2325408058 BFBIQAAXQGASRF-UHFFFAOYSA-N 454.271 4.606 50 10 JJGE N#CC(=CN1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)NC1CCCCCCCCCCC1 2325485750 JFIINXLJFWSHGS-UHFFFAOYSA-N 480.653 4.730 50 10 JJGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccccc1OCc1ccccc1C 2328826188 SMRZWJKGXNTWCK-NRFANRHFSA-N 471.623 4.671 50 10 JJGE F[C@@]12CCC[C@@]1(CCl)CN(Cc1ccc(I)c(Br)c1)C2 2377313442 ITRMFXGXHOZYAI-HUUCEWRRSA-N 472.567 4.987 50 10 JJGE CCOC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1 20175693 SNHAENFVSLVGCJ-CXUHLZMHSA-N 475.295 4.805 50 10 JJGE Cc1cccc(Nc2nnc(SCC(=O)C(C#N)=C3N(C)c4ccccc4N3C)s2)c1C 22975543 AWGFVWDCQPLNOQ-UHFFFAOYSA-N 462.604 4.881 50 10 JJGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NCc2ccco2)c1 35549788 IRXMOJNXQUJEGW-RGEXLXHISA-N 468.513 4.735 50 10 JJGE Cc1cccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])c1 40648519 AHIDHCJQXRVIBL-UHFFFAOYSA-N 454.490 4.712 50 10 JJGE N#CCOc1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1Br 59304243 CVYOJXSYKYEPEW-LSHDLFTRSA-N 477.112 4.624 50 10 JJGE O=C(N/N=C/c1ccc(Cl)cc1Cl)[C@H]1C[C@@H]1C(=O)N/N=C/c1ccc(Cl)cc1Cl 59502139 YZFSNXMNEFOEED-QFUWXDGISA-N 472.159 4.537 50 10 JJGE COc1ccc2ccccc2c1/C=N/NC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 59506419 WAIRQGUUHNFMLQ-SSDVNMTOSA-N 452.517 4.609 50 10 JJGE COc1ccc(OC)c(-c2cn3c(CC(=O)Nc4ccc(SC#N)cc4)csc3n2)c1 71416498 FBSJRPQKBPTADZ-UHFFFAOYSA-N 450.545 4.834 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N[C@@H](CBr)CC(C)C)cc1Br 136932746 KMBJFNDWWZADJZ-SNVBAGLBSA-N 492.071 4.608 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C=C/c1ccc(F)cc1 206396517 DZHKBXNQLKNAHZ-YNLGFCNJSA-N 456.473 4.676 50 10 JJGE COc1ccc(-c2cc(C(=O)NN=Cc3ccc([N+](=O)[O-])cc3)c3ccc(C)cc3n2)cc1OC 254290641 MQZAGTSPUVMGBW-UHFFFAOYSA-N 470.485 4.900 50 10 JJGE O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1cc(Br)ccc1OCc1ccccc1 254487996 XTWXSTLGXKHIRO-UHFFFAOYSA-N 454.280 4.700 50 10 JJGE O=C(Nc1ccc(I)c(Br)c1)[C@H](Cl)c1ccccc1 311685896 DMKMNVNFRFPQFN-CYBMUJFWSA-N 450.501 4.972 50 10 JJGE CC[C@H]1[C@H](CCl)CCN1C(=O)c1cc(I)ccc1Br 385636149 JHQMPBYTSYXICQ-ZANVPECISA-N 456.549 4.533 50 10 JJGE BrCc1cc(Br)cc(Br)c1OCOC1CCOCC1 388492245 DXBBMYCDMFGKSL-UHFFFAOYSA-N 458.972 4.638 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@@H]2CC[C@H](Br)C[C@H]2C1 398751983 WJPHVCMWKZQOQI-DCAQKATOSA-N 466.011 4.847 50 10 JJGE Cc1ccc(N(CC(=O)NN=Cc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)cc1Cl 1084397100 HDQGLMGQVFURAY-UHFFFAOYSA-N 494.375 4.787 50 10 JJGE C=CCC[C@H](NC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F)c1ccc(C(F)(F)F)cc1 1478272656 OFSSLXFJCTXTGU-KDOFPFPSSA-N 453.436 4.650 50 10 JJGE CCN1C(=O)C(=NNC(=O)c2cc3c(ccc4ccccc43)o2)c2cc(Br)ccc21 1565518928 RKVIDBULSTXVAS-UHFFFAOYSA-N 462.303 4.849 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CCl)[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)C1 1614620876 FHNNJNNYPWOVRI-HZPDHXFCSA-N 453.720 4.948 50 10 JJGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865689315 PGJAUXDLPRKXJS-XMMPIXPASA-N 474.561 4.849 50 10 JJGE CN(C)c1ccc([C@H](CNC(=O)/C(C#N)=C/c2ccc(Br)cc2)N2CCCCC2)cc1 1866128630 CHGUYWONEQSDIU-VGBYGFDOSA-N 481.438 4.765 50 10 JJGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc(OC)c(OC)cc32)n1 1868253610 NLPIYFXYVIFAEX-UHFFFAOYSA-N 463.563 4.694 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@H]1[C@@H](CBr)NC(=O)OC(C)(C)C 1885098471 YZLKXTMTJDCTMD-ARFHVFGLSA-N 461.441 4.996 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@H](Br)Cc1c(Cl)ccc(Br)c1F 1905315128 VOULBJFMTCARMR-SECBINFHSA-N 475.539 4.844 50 10 JJGE Cc1cc(Br)ccc1C(=O)N(C)C[C@@H](Br)COCc1ccccc1 1916389653 VTXZPAVQGKPCNP-QGZVFWFLSA-N 455.190 4.810 50 10 JJGE Cc1cnc(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)c(Br)c1 2022057785 FPIOFUGSQZNOAY-QGZVFWFLSA-N 452.190 4.968 50 10 JJGE O=C(c1csc(Br)c1Br)N1[C@H]2CC[C@H]1CC(Br)C2 2032953411 ISZSXHIMDNNJDF-YUMQZZPRSA-N 458.013 4.804 50 10 JJGE CC(C)[C@H](Br)[C@@H](C)NC(=O)c1ccc(I)c(Br)c1 2041298721 DAZPTOCWNMTBSH-PELKAZGASA-N 488.989 4.592 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CCC(CCBr)CC1 2092330658 LQSLKTKPJASOMH-UHFFFAOYSA-N 454.000 4.849 50 10 JJGE CC(C)(C)OC(=O)NCC1CCS(=O)(=NCC2(CBr)CCCCC2)CC1 2106786988 WYLSKDQPQFZZRJ-UHFFFAOYSA-N 451.471 4.735 50 10 JJGE CC(F)(F)C[C@@H](CBr)NC(=O)c1ccc(Br)cc1Br 2113235996 PSWYXAAQUADQBD-QMMMGPOBSA-N 463.942 4.750 50 10 JJGE CC(C)[C@H]1[C@@H](Br)CCN1C(=O)c1cc(Br)cc(Br)c1 2126103340 WMUCFXRYDNRHQO-STQMWFEESA-N 454.000 4.846 50 10 JJGE Brc1ccc([C@H](CI)OC[C@H]2CC23CCOCC3)cc1 2198367155 RBDIHLCEXAVZFJ-HIFRSBDPSA-N 451.142 4.759 50 10 JJGE CCC[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H]1CCl 2205704579 RLWKTFCHTHCPNU-RYUDHWBXSA-N 470.576 4.781 50 10 JJGE CCN(CCCCCI)[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2214705016 MDPRMPDTUGYHQS-IRXDYDNUSA-N 452.421 4.997 50 10 JJGE C[C@@H](Br)[C@H]1CCCN(C(=O)c2ccc(Cl)c(I)c2)C1 2268346712 RBAOFOCRCVOTNL-KOLCDFICSA-N 456.549 4.580 50 10 JJGE COCc1cc(C=C(C#N)C(=O)Nc2sc(-c3ccccc3)cc2C(=O)OC)ccc1OC 2295650093 ZMENYHWVEYTCDN-UHFFFAOYSA-N 462.527 4.902 50 10 JJGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NC3CCCCC3)c(Oc3ccc(Cl)cc3)nc12 2296719440 SFHAASCDTMGXJT-UHFFFAOYSA-N 462.937 4.805 50 10 JJGE C[C@@H](SCc1ccccc1)C(=O)NN=C1C(=O)N(CC=Cc2ccccc2)c2ccccc21 2313648645 SUCVEKIDCWIGKB-HXUWFJFHSA-N 455.583 4.889 50 10 JJGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCCCn3ccnc3)oc12 2314450598 GUYCDEBSDGGXSM-UHFFFAOYSA-N 492.539 4.604 50 10 JJGE CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)C(C)=C(C#N)C1=O 2314610596 JTLCWMMFEIVKLF-UHFFFAOYSA-N 466.541 4.859 50 10 JJGE CCOc1ccc([C@H](Br)c2c(Br)c(Br)nn2C)s1 2316837888 NTTYINDNCKMPRN-QMMMGPOBSA-N 459.001 4.890 50 10 JJGE COc1ccccc1N1CCN(C=C(C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 2325141359 CJXSKVBPQSFDNT-UHFFFAOYSA-N 454.530 4.656 50 10 JJGE C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@]1(OC(=O)c1ccco1)C(=O)CCl 2333172513 UDJQOKVZFMMKGS-GJJZLVQFSA-N 484.976 4.716 50 10 JJGE CC(C)(C)OC(=O)NCc1nc2c(s1)CCN(C[C@](C)(CBr)C(C)(C)C)C2 2380165947 WDFNCJWEOAWEMO-FQEVSTJZSA-N 460.482 4.973 50 10 JJGE O=C/C(=C/Nc1cccc(N/C=C(/C=O)c2nc3ccccc3o2)n1)c1nc2ccccc2o1 6475447 PSAIYKPOYOGPKD-MCOFMCJXSA-N 451.442 4.668 50 10 JJGE C[C@H](Oc1ccccc1Br)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 20311445 JNFXDWMONDNTAI-STPJHCLOSA-N 453.336 4.946 50 10 JJGE O=C(NC1CCCCC1)[C@H](c1ccc(Cl)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)CCl 34876102 ODVZOGNJGHFSOK-QHCPKHFHSA-N 477.388 4.826 50 10 JJGE Cc1ccc(Oc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1 40659355 VHCWTAJLDCJHID-UHFFFAOYSA-N 455.474 4.761 50 10 JJGE O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 48573091 BOIPXXKVAFXRGS-IPPBACCNSA-N 492.366 4.726 50 10 JJGE Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c3ccccc32)cc1 59165916 KNZHEYXCMHZSMD-AOQBAHIQSA-N 496.611 4.803 50 10 JJGE N#Cc1c(NC(=O)C(=O)NN=Cc2c3ccccc3cc3ccccc23)sc2c1CCCC2 254554791 COWVTEKEEUOZQZ-UHFFFAOYSA-N 452.539 4.894 50 10 JJGE NNC(=O)c1ccc2nc(-c3cc(Br)ccc3OCc3ccccc3Cl)[nH]c2c1 256046890 IRKHBOZSYMYIMR-UHFFFAOYSA-N 471.742 4.828 50 10 JJGE O=C(CBr)c1c(Br)cc(C(F)(F)F)cc1I 575694586 IUSYVQRMQSCWMN-UHFFFAOYSA-N 471.836 4.650 50 10 JJGE CCOc1ccc([C@H](Br)c2nn(C)cc2Br)cc1Br 693122485 OFWTXQHEWBQKKD-LBPRGKRZSA-N 452.972 4.828 50 10 JJGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc2c(c1)OCO2 1084083919 YKXWYBIEMUHKHH-XMMPIXPASA-N 472.541 4.687 50 10 JJGE Cc1ccc(NC(=O)C(=O)NN=Cc2cccc(OCc3ccccc3Cl)c2)cc1Cl 1084214739 OLSPQFHBAXMAGS-UHFFFAOYSA-N 456.329 4.970 50 10 JJGE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C 1540394829 WXCUZQPYTUHUQU-UHFFFAOYSA-N 457.452 4.753 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)c1OCc1cccc(C)c1 1865706092 NNDGFHUAGRBEMJ-GOSISDBHSA-N 470.451 4.553 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1ccccc1[N+](=O)[O-] 1865710221 RBGKEKMLBQFWAJ-MRXNPFEDSA-N 475.814 4.730 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@H](Cl)CCc1cc(I)ccc1Cl 1893662117 YLGLHIJWECIJBV-GFCCVEGCSA-N 474.125 4.781 50 10 JJGE CCN(CCCBr)Cc1ccc(I)c(Br)c1 1904346404 QVBSAFLJWBVFAB-UHFFFAOYSA-N 460.979 4.661 50 10 JJGE O=C(NCC[C@@H]1CCC[C@@H]1Cl)c1cc(Br)ccc1I 1913715203 QZECUPJXYOFALG-CABZTGNLSA-N 456.549 4.581 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 2010828905 NRFCLRKZMCHJDU-JTSKRJEESA-N 475.721 4.662 50 10 JJGE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)NC[C@H]2C[C@@H](Br)C2)c1 2020190420 JSDVYJGRCDYNQZ-PHIMTYICSA-N 462.182 4.699 50 10 JJGE C[C@@H](Cl)Cc1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2034338195 DKUSNKAGPGKIHP-ZCFIWIBFSA-N 458.379 4.725 50 10 JJGE COc1cc(C=C(C#N)S(=O)(=O)c2cc(Br)ccc2Br)cc(OC)c1 2040461378 NBFDJJLRJAKANM-UHFFFAOYSA-N 487.169 4.567 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Br)c(Br)s2)CC[C@H]1CBr 2046678385 GKVWUEVJAFIYGI-SFYZADRCSA-N 460.029 4.766 50 10 JJGE O=C(CBr)c1cc(I)c(C(F)F)c(OC(F)(F)F)c1 2060389158 HSIBMOSMEQRODW-UHFFFAOYSA-N 458.946 4.705 50 10 JJGE C[C@H]1C[C@@H](CBr)CN(C(=O)c2cccc(Br)c2Br)C1 2092329776 AAWQEMFTFVHWST-UWVGGRQHSA-N 454.000 4.705 50 10 JJGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1[C@H]2CCOC[C@@H]21 2093708469 AGJHQRRQOJEPJQ-SDDRHHMPSA-N 454.984 4.768 50 10 JJGE C[C@@H]1CC[C@H](CBr)N(C(=O)c2cc(Br)cc(Br)c2)C1 2110616252 JXVRQXNDAHXNSD-NOZJJQNGSA-N 454.000 4.847 50 10 JJGE CC(C)(C)OC(=O)N[C@@H]1CN(CCCCCI)C[C@H]1c1ccccc1 2220217225 VNRLSOXXVVXILX-ZWKOTPCHSA-N 458.384 4.584 50 10 JJGE CCn1ncc(Br)c1[C@@H](Br)c1ccc(OC)c(I)c1 2269556043 KZQOGGYRBJMSRI-LBPRGKRZSA-N 499.972 4.763 50 10 JJGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Br)c1OC 2297551457 LNNWMDKLQZSALV-UHFFFAOYSA-N 466.675 4.574 50 10 JJGE COc1cccc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c1OCc1cccc(C)c1 2328824668 OMWSZCCKDVVMGA-QFIPXVFZSA-N 483.609 4.972 50 10 JJGE N#CC(=C(O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2cccs2)cs1 2331327520 OSVLLOHOASSVOP-UHFFFAOYSA-N 466.500 4.649 50 10 JJGE COC(=O)c1c(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)sc(C(C)=CC#N)c1C 2331560221 IEBWHPKCNBKNFV-UHFFFAOYSA-N 499.548 4.819 50 10 JJGE C[C@H](Br)CCCN(C)C(=O)Cc1cc(Br)cc(Br)c1 2336059191 IQEHOUNIYKYWFL-JTQLQIEISA-N 456.016 4.776 50 10 JJGE Clc1ccc(CN2C[C@@H]3CCC[C@]3(CBr)C2)cc1I 2337225462 MBUZPHJEXAWVIJ-WFASDCNBSA-N 454.577 4.942 50 10 JJGE Cn1cnc(Br)c1[C@H](Br)c1c(Br)cc(F)c(F)c1F 2337330957 VSMRGGLNIPHQLY-SSDOTTSWSA-N 462.889 4.847 50 10 JJGE O=C(N[C@H]1C[C@@H](CBr)C12CCC2)c1cc(Br)c(Br)s1 2351630721 PPLBWVRDONIVRT-XVKPBYJWSA-N 472.040 4.957 50 10 JJGE CC1(C)C[C@@](C)(CBr)CN1C(=O)c1ccc(Cl)cc1I 2365585974 HAZLRHXSPYYFQA-HNNXBMFYSA-N 470.576 4.970 50 10 JJGE CC[C@@H](C)Oc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 10291612 WCNMPIXHNQKQEC-OAHLLOKOSA-N 471.351 4.620 50 10 JJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)cc1 10401681 BDLSDCUHUUQPIC-FRKPEAEDSA-N 486.528 4.619 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1OC 33371396 XVNUFUNJNVAHRR-HAHDFKILSA-N 471.538 4.895 50 10 JJGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2F)ccc1Cl 38652130 RFMZAESUSUIONB-XMMPIXPASA-N 464.880 4.990 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@H]1c1c(Cl)cccc1Cl 38700543 NOXRXFBFEYPKGG-FGZHOGPDSA-N 495.318 4.957 50 10 JJGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc2c(c1)OCO2 58889909 FQIZDSJAMWAHFG-YOCJXBLGSA-N 496.947 4.620 50 10 JJGE CN(C)c1ccc2ccc([P+](C)(c3ccc4ccc(N(C)C)cc4c3)N3CCOCC3)cc2c1 104983619 MDNNCFJORMSJAY-UHFFFAOYSA-N 472.593 4.970 50 10 JJGE O=S(=O)(N[C@@H]1c2ccccc2C[C@@H]1Br)c1cc(Cl)c(Br)s1 137000262 TVZPATAXSLPLQX-JOYOIKCWSA-N 471.623 4.503 50 10 JJGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)cc1 214204542 RTJWZPIRJRBUFR-JLPGSUDCSA-N 466.541 4.940 50 10 JJGE CC(C)[C@@H](CCBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 231175982 ZSVLBIGVQZOALO-LLVKDONJSA-N 468.038 4.844 50 10 JJGE C[C@]1(CI)CC[C@@H](c2ncc(Br)cc2Br)O1 309443186 ONXLMPOWJSOIJV-GXSJLCMTSA-N 460.935 4.652 50 10 JJGE O=C1CCc2cc([C@H](Br)c3sccc3I)c(F)cc2N1 380983790 DJHFDOQRSFQFOY-ZDUSSCGKSA-N 466.113 4.861 50 10 JJGE Cc1cccc(C(=O)N2CC[C@@H](Br)CC(C)(C)C2)c1I 395333626 HZKYKXWVAMLGIO-GFCCVEGCSA-N 450.158 4.625 50 10 JJGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1 616604597 XALWYJZJSCVPBJ-QHCPKHFHSA-N 460.716 4.586 50 10 JJGE C[C@H](Br)[C@@H]1CCCN(c2ncc(C(F)(F)F)cc2I)C1 686112922 PFLMDLCLHPNCDM-DTWKUNHWSA-N 463.079 4.705 50 10 JJGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3c(Br)cnn3C)c2O1 720045513 URQXOCRKNGBCFO-KRTXAFLBSA-N 464.983 4.753 50 10 JJGE Cc1nccn1-c1ccccc1CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 748720497 HGBICZNFKXGTBB-PXLXIMEGSA-N 495.974 4.835 50 10 JJGE N#C/C(=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 1084293960 RGWHOZLOERDQRI-FCDQGJHFSA-N 489.579 4.536 50 10 JJGE CC(=O)N1CCN(c2cccc(NC(=O)NNc3ccccc3Oc3ccccc3)c2C)C1=O 1206104925 OHNWZQXFSLZVTN-UHFFFAOYSA-N 459.506 4.724 50 10 JJGE C/C(=C/C(=O)NNC(=O)COc1ccccc1-c1ccccc1)c1ccccc1OC(F)F 1618606337 FXLJDUVZXFKAPQ-ICFOKQHNSA-N 452.457 4.585 50 10 JJGE C#CCN1CCC[C@H](NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C1 1634554954 MXFKEZQYSBRSAM-DTBYZMGXSA-N 455.389 4.522 50 10 JJGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(=O)Nc1ccc(SC#N)cc1 1860740752 CIHKMIDHNDTSQP-UHFFFAOYSA-N 451.529 4.742 50 10 JJGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865696056 WSIXEEFIOYGLEA-XMMPIXPASA-N 458.562 4.818 50 10 JJGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)cc1OC 1865697291 PTTYGFNWCQDJAQ-XMMPIXPASA-N 474.561 4.849 50 10 JJGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccccc4C3=O)n2)cc1Cl 1872756691 VXDPPZWZAMJYEA-SDXDJHTJSA-N 481.917 4.570 50 10 JJGE CC(C)[C@@H]1C[C@H]([C@H](CBr)NC(=O)OC(C)(C)C)CN1C(=O)OCc1ccccc1 1892831324 CIYFTWSIPGNQDN-FHWLQOOXSA-N 469.420 4.958 50 10 JJGE CC[C@]1(NC(=O)[C@@H](Br)C2CCCC2)CCCN(C(=O)OCc2ccccc2)C1 2048155276 SAQCTYOBICEEGU-UGKGYDQZSA-N 451.405 4.638 50 10 JJGE CSCC[C@H](Br)CCNC(=O)c1ccc(I)c(Cl)c1 2090385642 SCXOVLHNRFRELC-SNVBAGLBSA-N 476.605 4.581 50 10 JJGE CN(C(=O)c1cc(Br)ccc1I)C1CCC(Cl)CC1 2103896294 JHQAMSIJMJMEPO-UHFFFAOYSA-N 456.549 4.676 50 10 JJGE O=C(c1cc(Br)sc1Br)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Br)C2 2134115568 YFUZJIVNRTUFHD-BNJNZJEJSA-N 476.003 4.752 50 10 JJGE C[C@]1(CBr)CC(F)(F)CN1C(=O)c1c(Br)cccc1Br 2159047453 UQRGXMSUMSDBLP-GFCCVEGCSA-N 475.953 4.846 50 10 JJGE CN(CC[C@H](Br)c1ccccc1)C(=O)c1csc(I)c1 2168123714 CYEQDOURTDNPTH-ZDUSSCGKSA-N 464.166 4.951 50 10 JJGE C[C@H](Br)CN(C(=O)Cc1cc(Br)cc(Br)c1)C1CCC1 2295313471 KIBKIWPAVBDCMO-JTQLQIEISA-N 468.027 4.919 50 10 JJGE CC(=O)OCCCN1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(C)=C(C#N)C1=O 2296854994 QSTOADXMXUKEDW-UHFFFAOYSA-N 473.312 4.799 50 10 JJGE CNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C)c(C)c1 2314593216 JSZAXAUDEBWDPQ-IBGZPJMESA-N 460.386 4.783 50 10 JJGE CS(=O)(=O)c1sccc1[C@@H](Cl)c1sc(Cl)cc1I 2316605788 JXBMRUOXSRHGIQ-MRVPVSSYSA-N 453.175 4.799 50 10 JJGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)C(=O)Nc2ccccc2Sc2ccccc2)c1 2325339345 ZTBYJVRHUBCZQC-UHFFFAOYSA-N 487.537 4.869 50 10 JJGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1cc(Br)cc(Br)c1 2330899000 CUMUDWVITAMGTC-QQXRRDQMSA-N 451.984 4.503 50 10 JJGE BrCCN(Cc1ccc(Br)cc1Br)C1CCOCC1 2353644884 IYUJBWHPFTWOCO-UHFFFAOYSA-N 456.016 4.588 50 10 JJGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 10683662 DYRYRBISEJKSRM-GCJKJVERSA-N 453.583 4.803 50 10 JJGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)C(=O)Nc1ccc2ccccc2c1 35519530 PTGYOAYIWXXBLO-YBFXNURJSA-N 499.508 4.768 50 10 JJGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)c1 38651453 MRFUDRHBQMVMQM-JOCHJYFZSA-N 477.314 4.895 50 10 JJGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1 38677276 TWQOXEQJNOVJCU-PUAOIOHZSA-N 458.489 4.979 50 10 JJGE CCCCNC(=O)c1cc2ccc(OC(=O)/C(C#N)=C/c3ccc(OCCC)cc3)cc2oc1=O 40884185 DWAHOVFUFCKMEH-XSFVSMFZSA-N 474.513 4.624 50 10 JJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 101340282 ZVLUKKMSOIMNSB-HZHRSRAPSA-N 483.480 4.698 50 10 JJGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)C1=O 214218269 JTLCWMMFEIVKLF-IWIPYMOSSA-N 466.541 4.859 50 10 JJGE CC(C)C[C@H](Br)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 226269438 WUFQNSZHWJPXHQ-VIFPVBQESA-N 468.038 4.844 50 10 JJGE O=C(NC[C@H]1CCC[C@@H](Br)C1)c1cc(Br)cc(Br)c1 227761074 JDDXMKNZBJBJOJ-GXSJLCMTSA-N 454.000 4.895 50 10 JJGE Cc1nn(-c2ccccn2)c2nc(-c3ccncc3)cc(C(=O)NN=Cc3cccc(Cl)c3)c12 254382656 SLLJHRWPVODFIF-UHFFFAOYSA-N 467.920 4.603 50 10 JJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3[N+](=O)[O-])cc2)cc1 254612222 NJWDOPOBGWQMAC-UHFFFAOYSA-N 491.500 4.522 50 10 JJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)cc1 254752497 VRLRCYWXDUGSFH-UHFFFAOYSA-N 491.500 4.522 50 10 JJGE C[C@@H]1C[C@H](I)[C@H](CI)[C@@H](C)N1Cc1ccccc1 306978318 BXBKPOFWLMUDRN-GBOPCIDUSA-N 469.148 4.524 50 10 JJGE Cc1cn(C)nc1CC(CBr)(CBr)c1ccccc1Br 723935482 QWJHVBGEJOCVBS-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)NNc1ccc(F)c(F)c1F 728718251 CFGHDMNQWWPPNT-UHFFFAOYSA-N 473.455 4.726 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 1084481324 NFJNOXWWBXDJHL-AREMUKBSSA-N 462.594 4.523 50 10 JJGE C/C(=C\C(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1)c1cccc(Cl)c1 1136464073 GXIPYEABUIDGHN-KOFSXRQESA-N 459.977 4.518 50 10 JJGE CC(=O)N1CCC[C@@H](CNC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc4ccccc34)c2C)C1 1586568996 UEMGHMIFKCRDBL-IBUSPFOHSA-N 454.574 4.529 50 10 JJGE Cc1cc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)ccc1[N+](=O)[O-] 1614641313 KCKRZCRGQKDDCG-QZTJIDSGSA-N 480.302 4.690 50 10 JJGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)cc1OCC 1865687028 HTORGIGJBLVODV-RUZDIDTESA-N 474.561 4.985 50 10 JJGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1OC 1865696354 DUOKUCPQDDIQPD-OAQYLSRUSA-N 495.377 4.877 50 10 JJGE CCc1cccc(CC)c1N1C[C@H](C(=O)NNC(=O)c2ccc(-c3ccc(C)c(C)c3)nc2C)CC1=O 1865756323 RTAWTENDYBMDPG-XMMPIXPASA-N 498.627 4.613 50 10 JJGE COc1ccc(/C=C(\C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC 1866366863 VFHKYIBRGBAERV-NCELDCMTSA-N 467.569 4.545 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CCC[C@H]1CC(Cl)C2 1922745973 NYCRCZNBEAXETJ-RYUDHWBXSA-N 468.560 4.818 50 10 JJGE CC[C@H]1CC[C@H](NCCSSCCNC(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C 1985346921 KBBZJBMZLKYEGQ-IRXDYDNUSA-N 463.710 4.660 50 10 JJGE O=S(=O)(c1ccc(Br)c(CCl)c1)N(Cc1ccccc1)CC(F)(F)F 2034734821 MJOGJHNOQDQOBS-UHFFFAOYSA-N 456.711 4.941 50 10 JJGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@H](Br)c1c(Cl)sc(Br)c1Cl 2054228756 ZLAXYJMGNGEUPT-OHKRPGQBSA-N 455.020 4.544 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H]2C[C@@H](Br)C[C@H]2C1 2065400866 BSVRPYRXNOFWKU-RNLVFQAGSA-N 458.013 4.519 50 10 JJGE COc1cc(Br)c(C(=O)N(CCCBr)Cc2ccccc2)cc1OC 2068785554 XAKLUVIMBKSPAB-UHFFFAOYSA-N 471.189 4.894 50 10 JJGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc(CCl)ccc1Br 2095873533 HDWJYUQEBGRUCZ-UHFFFAOYSA-N 460.821 4.805 50 10 JJGE CN(C1CC(OCc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cc1Cl 2123201373 WBSNQOJFVFZOFA-UHFFFAOYSA-N 458.805 4.603 50 10 JJGE CC1(C)[C@H](Cl)CC[C@H]1NC(=O)c1ccc(Br)cc1I 2142280467 DSCMVSXVCKFMFB-VXGBXAGGSA-N 456.549 4.580 50 10 JJGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@@H](CBr)CC2CC2)CC[C@@H]1C(F)(F)F 2169163416 SHCUSIBAZJASPV-OAGGEKHMSA-N 457.375 4.823 50 10 JJGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N(C)[C@@H]1CC[C@H]1OCc1ccccc1 2179859539 FRXDEZCZLDBSGU-RTBURBONSA-N 472.832 4.912 50 10 JJGE I[C@H]1CCCCCC[C@@H]1OCCOCCOCCOCc1ccccc1 2227775523 ATDXIMIMCLYOQA-SFTDATJTSA-N 476.395 4.779 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H](CBr)C2(CCC2)C1 2283652103 PUEDFWWJAGRJLI-LLVKDONJSA-N 468.560 4.582 50 10 JJGE Brc1cc(C[C@@H]2CCOCC[C@H]2Br)ccc1I 2306210391 ILCWUATVZKBJTR-WDEREUQCSA-N 473.974 4.786 50 10 JJGE COc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccccc2Cl)nc2ccccn2c1=O 2314533615 SFIFXOLSXUIOQR-UHFFFAOYSA-N 472.888 4.694 50 10 JJGE CCOc1cc(C=NNC(=O)COc2ccccc2OC)ccc1OCc1cccc(Cl)c1 2321706289 PQBWHMYJYFBZPH-UHFFFAOYSA-N 468.937 4.855 50 10 JJGE C[C@H]1c2ccc(CNC(=O)C(C#N)=Cc3ccc(Cl)cc3)n2CCN1C(=O)OC(C)(C)C 2329644858 OPYXDYALSGYBDD-INIZCTEOSA-N 454.958 4.677 50 10 JJGE CC[C@@]1(C)[C@@H](Br)CCN1C(=O)c1c(Br)cccc1Br 2336767457 UPJPTVCJAOSKKM-FZMZJTMJSA-N 454.000 4.990 50 10 JJGE COC(C)(C)C1([C@H](Br)c2cc(I)cc3c2OCC3)CC1 2369555963 QKDZSTJFRKQKLS-CQSZACIVSA-N 451.142 4.867 50 10 JJGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc2ccccc2c1 14650697 HILHRHNSGXODEU-UHFFFAOYSA-N 485.378 4.867 50 10 JJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1 38658289 AJKQOLUUBXPHNT-XMMPIXPASA-N 469.453 4.597 50 10 JJGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)c1 38684510 XDTVEVZRAUIVCI-VWLOTQADSA-N 454.482 4.697 50 10 JJGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3OC)ccc21 40529688 SRRCBTUCKMKIQP-VWLOTQADSA-N 456.498 4.921 50 10 JJGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)c1 40529863 SRRJQSRGPUVSJJ-WGDIFIGCSA-N 486.499 4.982 50 10 JJGE O=C(NNc1ncnc(Nc2cccc3ccccc23)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40627218 IMHXTNKDEOJCGI-UHFFFAOYSA-N 479.840 4.600 50 10 JJGE Cc1c(C(=O)Nc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813464 AMVWOESEHIHMOR-YZSQISJMSA-N 466.881 4.872 50 10 JJGE CN(Cc1ccccc1Br)S(=O)(=O)c1cc(CCl)sc1Br 91271885 SCFLYEFOHHUAQN-UHFFFAOYSA-N 473.639 4.833 50 10 JJGE COc1ccccc1/C=N\NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103723372 FALLKMOCCPVALT-FFHYSNTJSA-N 496.223 4.884 50 10 JJGE COc1cc(F)c([C@H](Br)c2csc(I)c2)cc1OC 124435410 KQEUVUIEYRHALR-CYBMUJFWSA-N 457.102 4.993 50 10 JJGE O=S(=O)(c1cc(Br)ccc1Br)N1CCCC[C@@H]1CCBr 160429838 GIMZURYMAWMRSU-LLVKDONJSA-N 490.055 4.540 50 10 JJGE C[C@@H]1CCC[C@@](CCl)(NC(=O)c2cc(I)ccc2Br)C1 235297459 SGGVRKWYJHCTJR-MEBBXXQBSA-N 470.576 4.971 50 10 JJGE COc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c(F)c1 382702905 PWFUATKFUSOUHZ-MAUKXSAKSA-N 469.294 4.622 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccc(Br)c(F)c2)C1 382711954 ZIRHDQYQKOLICR-VXGBXAGGSA-N 484.147 4.974 50 10 JJGE Oc1nc2cc([C@@H](Br)c3nscc3Br)c(Br)cc2[nH]1 404793285 GJKQBPRHYWLBTL-SECBINFHSA-N 467.968 4.734 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 1084102535 SUMWBGLGOUWAQD-OAQYLSRUSA-N 471.897 4.871 50 10 JJGE CCOc1ccc(C(=O)NN=Cc2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)cc1 1084438440 ZIJYWVZOJWOALP-UHFFFAOYSA-N 458.268 4.780 50 10 JJGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Oc3cccc4cccnc34)c(C)c21 1772746261 TVMGXBGCASUUSJ-UHFFFAOYSA-N 469.497 4.834 50 10 JJGE O=C(ON=C1C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc21)C(Cl)Cl 1848352948 RFTBOVZCGMTCHQ-UHFFFAOYSA-N 465.642 4.957 50 10 JJGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)c(O)c(OC)c1 1865689578 SWMROPRJGISNRH-GOSISDBHSA-N 481.350 4.655 50 10 JJGE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2O)c1 1865696520 OQCWTVHPFDHUJI-NRFANRHFSA-N 465.351 4.543 50 10 JJGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)c1O 1865696838 RKSPWVOIZRSFLV-NRFANRHFSA-N 495.377 4.552 50 10 JJGE CC(C)c1ccc([C@H](CC(=O)N[C@H](CO)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866741437 MPOBWGFAXRWUQA-DHIUTWEWSA-N 453.608 4.629 50 10 JJGE CN(CCCCBr)Cc1ccc(I)c(Br)c1 1904337582 GCGRJGVIKDUCSK-UHFFFAOYSA-N 460.979 4.661 50 10 JJGE C[C@@H](Br)CCN(C)Cc1ccc(I)c(Br)c1 1904345833 KRJKDOVCDYLCQZ-SECBINFHSA-N 460.979 4.659 50 10 JJGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1sccc1Br 1915086039 CMTHBAYEZNQXLX-GFCCVEGCSA-N 467.248 4.875 50 10 JJGE CCC(CC)(CBr)CN1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1959574567 FYDKFDOPGKHRTE-UHFFFAOYSA-N 478.472 4.893 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CCC[C@H](CBr)CC1 2094091674 WOSSAVGTMUPWCM-JTQLQIEISA-N 454.000 4.849 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1cc(Br)c(Br)s1 2139708996 SCPCAHLBBMVVHE-OORONAJNSA-N 472.040 4.955 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@@H](CBr)C(F)(F)C1 2150503410 LUWVHUMBZWSYPQ-QMMMGPOBSA-N 475.953 4.704 50 10 JJGE O=S(=O)(c1ccc(OCCBr)cc1)N(Cc1ccccc1)CC1CCCC1 2179860410 RCBBMAQSANEYDJ-UHFFFAOYSA-N 452.414 4.841 50 10 JJGE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(CCCCCI)CC2 2220212998 BDRUXLUQZOMSJS-QGZVFWFLSA-N 464.432 4.949 50 10 JJGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@@H](Br)[C@H]1CC2 2229865069 JTGHEPAUVONKJH-UFGOTCBOSA-N 498.984 4.584 50 10 JJGE Cc1ccc(I)c(C(=O)N2CC[C@@H](Br)CC(C)(C)C2)c1 2240915514 RUMSOELZGLVKDM-GFCCVEGCSA-N 450.158 4.625 50 10 JJGE CC(C)[C@H](Br)[C@H](C)NC(=O)Cc1cc(Br)cc(Br)c1 2277923353 FICZGYCJMHBNCA-XPTSAGLGSA-N 456.016 4.678 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CC2(CC[C@H]1CBr)CC2 2283651502 IATWVAVFOUASNY-NSHDSACASA-N 468.560 4.724 50 10 JJGE N#CC(C(=O)NCc1ccco1)=C1S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 2293039172 KZYMSZMGRYUBBL-NRFANRHFSA-N 481.936 4.815 50 10 JJGE COc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(F)cc3)N(c3ccccc3)C2=O)cc1 2295982107 CTCHJZVHMVQGIX-QHCPKHFHSA-N 473.529 4.899 50 10 JJGE BrC[C@H]1C[C@@H]2C[C@H](C1)CN(c1ncc(Br)cc1Br)C2 2343302083 JPPRLCGXACYBHM-JGPRNRPPSA-N 453.016 4.854 50 10 JJGE CCCn1nc(Br)nc1C[C@@H](Br)c1ccc(Br)cc1 2353739263 HAXHENUPRKZPNH-LLVKDONJSA-N 451.988 4.892 50 10 JJGE Cn1nc([C@@H](Br)c2cc3c(cc2Br)OCCC3)cc1Br 2369619674 WGHIXSXURGTXJG-AWEZNQCLSA-N 464.983 4.754 50 10 JJGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](CC)Oc2ccccc2[C@@H](C)CC)cc1 10683778 WCHYGDUSVCRIJQ-AVRDEDQJSA-N 453.583 4.947 50 10 JJGE CCCCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(C[C@@H](C)O)C(=O)C(C#N)=C3C)o2)ccc1Cl 33155141 VFSPCTRXNQHHFD-IYSPOMMRSA-N 496.947 4.530 50 10 JJGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12)NNC(=O)c1ccco1 39867636 ZOZKYPZRFACJFE-UHFFFAOYSA-N 456.477 4.899 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)cc2)cc1 58893143 NBZPXTDRCZRQQY-PFQJNYNCSA-N 450.510 4.767 50 10 JJGE CCCN(CCC)c1ccc(C(=O)N/N=C/c2c(C)nn(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 59165409 VFADVTGYORLGKY-WPWMEQJKSA-N 492.580 4.796 50 10 JJGE COc1cccc(C(=O)N/N=C/c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)c1 59392320 ARORHMQXFUUYAK-SRZZPIQSSA-N 454.489 4.721 50 10 JJGE Cc1ccc(-c2cc(C(=O)NNC(=O)CCCc3nc(C(C)C)no3)c3ccccc3n2)cc1 107768960 BYTUMIVAHOYSBO-UHFFFAOYSA-N 457.534 4.501 50 10 JJGE C[C@H](CCl)CS(=O)(=O)Nc1c(Br)cc(Br)cc1Br 126972572 KJLSSMSCSYDIDL-ZCFIWIBFSA-N 484.435 4.591 50 10 JJGE O=S(=O)(Nc1ccc(CCBr)cc1)c1cc(Cl)c(Br)s1 136846647 SCFMGOHVNVPYOB-UHFFFAOYSA-N 459.612 4.902 50 10 JJGE CC(C)(C)Oc1ccc(/C=N\NC(=O)c2ccc(Nc3nc4ccccc4c(=O)[nH]3)cc2)cc1 169927902 OUWCZMCXLYRQRT-YUMHPJSZSA-N 455.518 4.608 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CCC[C@@H]1CCCBr 232485141 YULIUGQIWICEIU-ZDUSSCGKSA-N 454.000 4.991 50 10 JJGE O=C(N[C@@H]1CCCCC[C@@H]1Cl)c1cc(I)ccc1Br 236025303 OMBGSVAJVCMVAD-QWHCGFSZSA-N 456.549 4.724 50 10 JJGE C[C@H](C=NNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)Cc1ccc2c(c1)OCO2 254845715 LDOJPQAVPOLDLX-FQEVSTJZSA-N 457.530 4.841 50 10 JJGE O=C(NC1CCC(CCl)CC1)c1cc(I)ccc1Br 387964678 SKTHHCOPCIFVFY-UHFFFAOYSA-N 456.549 4.581 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H](C)C[C@@H](C)Br)cc1Br 398609041 XXMADSWKNMXYBQ-WCBMZHEXSA-N 492.071 4.608 50 10 JJGE FC(F)(F)Oc1ccc(Br)c(I)c1CBr 575695391 MRMNGCNTCCLDEK-UHFFFAOYSA-N 459.825 4.847 50 10 JJGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CNCCN2S(=O)(=O)c2ccccc2)c1 616604844 QAHUKIRBUCBJER-QHCPKHFHSA-N 460.716 4.586 50 10 JJGE CCn1cc([C@H](Br)c2ccc(OC)c(Br)c2)nc1Br 700616519 QDHZGVPEKWZZPS-GFCCVEGCSA-N 452.972 4.921 50 10 JJGE O=C(NCc1cccc(COc2ccccc2)c1)NNC(=O)c1ccc(COc2ccccc2)o1 918018761 GZJKGEQDCQCWJS-UHFFFAOYSA-N 471.513 4.582 50 10 JJGE CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1 1618618668 CVVBOERVVLMKBP-UHFFFAOYSA-N 450.491 4.815 50 10 JJGE C=C(CBr)CN1CCC2(CC1)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1655165938 SRQWYHSVVLLLKB-SFHVURJKSA-N 451.405 4.821 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1 1865712769 HIBKUFBDHNSUOX-QGZVFWFLSA-N 460.843 4.830 50 10 JJGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)COc1ccc(Cl)cc1 1865759094 HXGOEUNJFGLQAB-UHFFFAOYSA-N 464.736 4.857 50 10 JJGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1 1866215154 DWPORRJRIQCWON-VJSYINPZSA-N 481.618 4.569 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H]2C[C@H]2c2ccccc2)cc1 1867049990 HRPQMMYVVRNPET-HJOGWXRNSA-N 459.546 4.869 50 10 JJGE C[C@@H]([C@@H](Br)c1c(Br)sc(Br)c1Cl)S(C)(=O)=O 1923070564 CGUHTTIYOCQSSZ-WVZVXSGGSA-N 475.449 4.796 50 10 JJGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1cccc(CBr)c1)Cc1ccccc1 1984644238 GORDGWYZONVTAZ-UHFFFAOYSA-N 487.463 4.904 50 10 JJGE O=C(NC[C@@]1(CBr)CC12CCC2)c1cc(Br)sc1Br 2097904155 MWESOHODZGUQJI-ZDUSSCGKSA-N 472.040 4.958 50 10 JJGE CC[C@H](Cl)CN(C(=O)c1cc(I)ccc1Br)C1CC1 2107414938 PIOXJIPGQMSYGK-VIFPVBQESA-N 456.549 4.676 50 10 JJGE C[C@]1(CCCl)CCN(C(=O)c2ccc(I)c(Br)c2)C1 2131901832 MMUCGIRPRGFFPW-AWEZNQCLSA-N 456.549 4.535 50 10 JJGE Cc1c(Br)ccc([C@H](Br)[C@H]2CCCCS2(=O)=O)c1Br 2138853785 REZQMEGFBMOZGK-YPMHNXCESA-N 475.040 4.923 50 10 JJGE Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCCCN2Cc2ccccc2)sc1CBr 2179824909 AOPLJYRAYHCQRF-SFHVURJKSA-N 471.486 4.627 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CC[C@@H]2C[C@@H](Cl)CC[C@@H]21 2207260874 IPNFHXDXIRZKIJ-PUYPPJJSSA-N 468.560 4.676 50 10 JJGE O=C(N[C@H]1CCCC[C@H]1CCCl)c1ccc(Br)cc1I 2207262292 QAKNPXOGAOSTGM-HZMBPMFUSA-N 470.576 4.971 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2CCCC(F)(F)C2)C1 2216581634 JEXSOTYCDKEFMK-XJKSGUPXSA-N 459.315 4.786 50 10 JJGE Cc1ccc(I)c(C(=O)N2CCCC(C)(C)[C@@H]2CBr)c1 2240901102 LYWNRFSTAYJCQW-AWEZNQCLSA-N 450.158 4.625 50 10 JJGE CC[C@H]1CN(Cc2ccc(I)c(Br)c2)C[C@H]1Br 2306226316 YQBVADBEGUCUBW-CMPLNLGQSA-N 472.990 4.659 50 10 JJGE COc1ccccc1NC(=O)C(C#N)=C1C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 2313637814 CEFXLVCLEUVRGE-UHFFFAOYSA-N 488.341 4.920 50 10 JJGE N#CC(=Cc1cn(Cc2ccccc2F)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 2313738851 TXSSYBXEQZKZNF-UHFFFAOYSA-N 453.473 4.781 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@]1(C)COCCO1 2339657687 AJJWGGCITCJKRD-OLZOCXBDSA-N 460.963 4.901 50 10 JJGE O=C(N[C@@H]1CCC[C@H](CBr)C1)c1ccc(Cl)cc1I 2340057292 LKKRSAJWENUBLK-GXSJLCMTSA-N 456.549 4.628 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)ccc1OC(=O)c1cccs1 3014115 JSMHPUXGKHOZIB-OAQYLSRUSA-N 486.505 4.691 50 10 JJGE aggregator CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCCOC)c(Br)c2)cc1 14661579 NNEAAOXSQSJWKF-UHFFFAOYSA-N 493.398 4.508 50 10 JJGE CCOC(=O)C1=C(C)N=C2SCCCN2[C@H]1c1ccc(NC(=O)C(C)(C)CCl)cc1 16613692 LGMXTKKDKLGZJR-SFHVURJKSA-N 450.004 4.577 50 10 JJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3)nc3c(C)cccn3c2=O)cc1 39992805 MZUPNVNLVCJOAW-CAPFRKAQSA-N 494.507 4.518 50 10 JJGE COc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1OCc1cccc(C(=O)O)c1 59247770 YHLYKQHTNGVICW-IPPBACCNSA-N 486.446 4.684 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C\c1ccc(OC)cc1 206678890 CMQUNIZAVWCVGS-QNUPSSFOSA-N 472.497 4.529 50 10 JJGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1OC 206684100 GBVWKYQAZZDTAY-BUSHWYCFSA-N 486.524 4.919 50 10 JJGE O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)NN=Cc1c2ccccc2cc2ccccc12 254513179 IJMVQVZZXNBRAN-UHFFFAOYSA-N 494.576 4.734 50 10 JJGE O=C(NN=Cc1ccccc1C(F)(F)F)c1ccc(C(=O)NN=Cc2ccccc2C(F)(F)F)o1 254628254 NRTZEBCDPNOXCX-UHFFFAOYSA-N 496.367 4.845 50 10 JJGE BrCC(CBr)(Cc1csnn1)c1ccccc1Br 310934776 MKDKUYOFRDABDU-UHFFFAOYSA-N 455.013 4.571 50 10 JJGE C[C@@H](Br)C[C@@H]1CCCN1C(=O)c1cc(Br)ccc1Br 382121447 UXEOURHOBSKQIC-KOLCDFICSA-N 454.000 4.990 50 10 JJGE Nc1ccc(Br)cc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CBr 394700064 XUYPINFBLIYBIJ-YOEHRIQHSA-N 468.189 4.778 50 10 JJGE Fc1cc2c(cc1I)nc(CCl)n2C1[C@H]2CN(Cc3ccccc3)C[C@H]12 398458953 RDXGKFANOFEETR-KBPBESRZSA-N 481.740 4.822 50 10 JJGE O=C(CBr)c1cc(Br)c(C(F)F)cc1I 575687145 UEBISPFLGQXYCY-UHFFFAOYSA-N 453.846 4.569 50 10 JJGE C[C@H]1CCCN(c2ncc(C(F)(F)F)cc2I)[C@H]1CBr 686115641 VQYBLWNIZFNUPK-KWQFWETISA-N 463.079 4.705 50 10 JJGE Cc1nn(C)c(COc2cc(Br)ccc2CBr)c1Br 691443628 JXEHBSJIASNSPY-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE ClCc1nc2cc(I)ccc2n1Cc1ncc(Br)s1 714913241 RYUFJDDCLKLERF-UHFFFAOYSA-N 468.545 4.647 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H](CCl)C1)c1ccc(I)c(Br)c1 721571160 CUCKMYNSPMWCJK-GHMZBOCLSA-N 470.576 4.829 50 10 JJGE O=C(N[C@@H](CCCl)C1CCCC1)c1ccc(I)c(Br)c1 725043777 SNWXIGZIVYIIAR-AWEZNQCLSA-N 470.576 4.971 50 10 JJGE C#CCOc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1CC=C 1084613201 ILOAXRDJOMLBLN-HSZRJFAPSA-N 499.405 4.552 50 10 JJGE O=C(NN=C(c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2)Nc1ccc([N+](=O)[O-])cc1 1088674284 YRAXXJLFUOUIMV-UHFFFAOYSA-N 452.854 4.594 50 10 JJGE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 1641074412 JFFGODUJNYFLDR-OAHLLOKOSA-N 458.436 4.652 50 10 JJGE COc1ccccc1CCC(=O)NNC(=O)c1ccc(-c2ccc(Cl)cc2Cl)nc1C 1865759795 SMASOZKPJIQOSW-UHFFFAOYSA-N 458.345 4.766 50 10 JJGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(C(=O)C4CC4)CC3)n2)cc1 1868320759 NHFRGGJWJJIPND-UHFFFAOYSA-N 470.602 4.827 50 10 JJGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)CCCN2C(=O)c3ccccc3C2=O)n1 1873921132 WOQSKIKDICZUGY-VZCXRCSSSA-N 459.527 4.996 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1CC12CCC([C@@H](CBr)NC(=O)OC(C)(C)C)CC2 1885093727 PLOUUPIWMMGXAJ-FMPZLKCCSA-N 461.441 4.996 50 10 JJGE CC1(C)C[C@H](Br)CN(C(=O)c2cc(Cl)ccc2I)C1 1923163396 GAGARVOINTUHTL-VIFPVBQESA-N 456.549 4.580 50 10 JJGE COc1cc(Br)c(C(=O)N(CCBr)Cc2ccccc2)cc1OC 2015234591 BHIZWBURBOOBSW-UHFFFAOYSA-N 457.162 4.504 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@@H]2CCC[C@]2(CBr)C1 2159407676 GFFKZGYKXSHIPE-BONVTDFDSA-N 466.011 4.849 50 10 JJGE O=C(NC[C@@H]1CCCC[C@@H](Cl)C1)c1cc(Br)ccc1I 2163754194 QEEDWWRQSHCLCV-ZYHUDNBSSA-N 470.576 4.971 50 10 JJGE CCc1ccc(S(=O)(=O)N(C)[C@H]2CC[C@@H]2OCc2ccccc2)cc1CBr 2179862582 YJGCYUHXYJJCTF-SFTDATJTSA-N 452.414 4.512 50 10 JJGE O=C(c1csc(I)c1)N1[C@H](CBr)C[C@@H]2CCCC[C@H]21 2232023743 BSMSMIMXBQTYTI-ZMLRMANQSA-N 454.171 4.521 50 10 JJGE C[C@@H](Br)[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(I)c1 2268352264 ZGCHUVFXEYTTRP-RNCFNFMXSA-N 456.549 4.723 50 10 JJGE COCc1csc([C@@H](Br)c2ccc(OC)c(I)c2)c1 2269538625 BPAAYKYBZGXDSS-AWEZNQCLSA-N 453.139 4.992 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1CCCC[C@H]1Br 2277961461 UMNZHSFHFYZFNT-CHWSQXEVSA-N 454.000 4.576 50 10 JJGE CC(C)CN(C[C@H](C)Br)S(=O)(=O)c1cc(Br)ccc1Br 2288023369 OEHRLSZINOLZTE-JTQLQIEISA-N 492.071 4.642 50 10 JJGE CCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1OC 2296500382 NDSQPQNNJWUQSI-UHFFFAOYSA-N 467.591 4.849 50 10 JJGE N#CC(=Cc1cn(CC(=O)NCc2ccco2)c2ccccc12)C(=O)Nc1ccc(Cl)cc1 2297456518 NGIFMDMRGVVPLH-UHFFFAOYSA-N 458.905 4.750 50 10 JJGE CO[C@@H]1C[C@@H](Br)C[C@H]1Cc1ccc(I)c(Br)c1 2306211511 RRVCVXYCBMMVNV-GBIKHYSHSA-N 473.974 4.785 50 10 JJGE Cc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)c1 2314533464 RFVJDIJJYHSLDA-UHFFFAOYSA-N 454.461 4.788 50 10 JJGE CCCCCOc1ccc(C=C2C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1OCC 2314617793 AVGGDDCNMKQODI-UHFFFAOYSA-N 454.567 4.673 50 10 JJGE N#CC(=C(O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331281254 ZXCZSXIIMXVBHR-UHFFFAOYSA-N 460.471 4.587 50 10 JJGE COc1cccc(-c2csc(C(C#N)=Cc3ccc(OCCN4CCOCC4)c(OC)c3)n2)c1 2331418251 KAELUYGXMYTJNW-UHFFFAOYSA-N 477.586 4.602 50 10 JJGE O=C(N[C@H]1C[C@H](CBr)C12CCC2)c1scc(Br)c1Br 2351635886 UNDSZJJFUNREHL-APPZFPTMSA-N 472.040 4.957 50 10 JJGE Cc1cc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc(C)c1Cl 14038531 ACCXPUBYSYQYJA-GOSISDBHSA-N 452.938 4.618 50 10 JJGE C/C(=N\NC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1 20159271 PDCAQJRGORAVHI-LGJNPRDNSA-N 454.845 4.794 50 10 JJGE CCOc1cc(/C=C(/C#N)S(=O)(=O)c2ccc(Br)cc2)cc(Br)c1O 33575884 SEWRYUNVNHRCAU-AUWJEWJLSA-N 487.169 4.654 50 10 JJGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccs2)ccc1Cl 38656494 JICLSOJQCPGTMN-JOCHJYFZSA-N 452.919 4.913 50 10 JJGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OC)cc3)ccc21 40529679 BWKCCOUZSAJXRM-RUZDIDTESA-N 456.498 4.921 50 10 JJGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/NC(=O)c1ccccn1)CCC2 40814307 HUUZIMDJWQYYEP-JBASAIQMSA-N 479.540 4.937 50 10 JJGE N#C/C(=C/c1ccc(COc2ccc(Br)cc2)o1)C(=O)NCc1ccc2c(c1)OCO2 96438822 GOEPJWFOSGZVLW-YBEGLDIGSA-N 481.302 4.573 50 10 JJGE C[C@@H](CBr)CCCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 228311906 CAGNQBRQCMTCDO-MRVPVSSYSA-N 468.038 4.845 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CCCCC[C@@H]1CBr 232458569 XEIXLDSYYLLPMK-LLVKDONJSA-N 454.000 4.991 50 10 JJGE O=C(CSc1nc2ccccc2s1)NN=Cc1cccc(OC(=O)c2cccc(F)c2)c1 252590379 ASEGMLHEBAQXDB-UHFFFAOYSA-N 465.531 4.897 50 10 JJGE CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)NN=Cc1cccc(OC)c1OC 252607863 HFTQEXAEZQNTLI-GOSISDBHSA-N 471.351 4.927 50 10 JJGE Cc1nn(-c2ccccc2)c(N(C)C)c1/C=N/NC(=O)CCCSc1nc2ccccc2s1 253572760 QOONWRSWNHDCKK-PCLIKHOPSA-N 478.647 4.879 50 10 JJGE COCc1cc(C)nc2sc(C(=O)NN=Cc3cc(-c4cccs4)n[nH]3)c(-n3cccc3)c12 254559472 FLOTVBODAOTHBG-UHFFFAOYSA-N 476.587 4.757 50 10 JJGE CCOc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1 254797216 IVUJOZKHWNOFAS-UHFFFAOYSA-N 468.509 4.987 50 10 JJGE O=C(NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)/C(=C\c1cccs1)NC(=O)c1ccccc1 254875223 RLDHZZYAHRNGAF-MVJLGXCLSA-N 486.509 4.838 50 10 JJGE COC(=O)Oc1ccc(C=NNC(=O)c2ccc(CSc3ccccc3)cc2)cc1OC 254896793 JFEUTDVYUYKGRO-UHFFFAOYSA-N 450.516 4.897 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(F)c(F)c2)C1 382696099 KSLUIWWOXFNRSS-CVEARBPZSA-N 457.258 4.752 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CCCC[C@@H](CBr)C1 696785551 NFTAQUVBLMOWIP-JTQLQIEISA-N 456.549 4.582 50 10 JJGE CN(C)[C@@H](CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)c1ccc(F)cc1 918653112 DZYPNIVPPCERBV-VEWQMQJVSA-N 490.970 4.582 50 10 JJGE O=C(CSc1ccccc1)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1084386198 VOICWXKOLNUYOK-UHFFFAOYSA-N 452.448 4.538 50 10 JJGE O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 1084390817 SNBWNZVXTNZPKS-UHFFFAOYSA-N 456.546 4.813 50 10 JJGE CCN(CC)c1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)c(O)c1 1614703869 JALSHMUOJSZGOM-WIYYLYMNSA-N 464.391 4.889 50 10 JJGE C[C@H](Oc1cccnc1NC(=O)Nc1ccc(SC#N)cc1)C(=O)Nc1ccc(F)cc1 1858840076 VMKGJEMUUZLQQU-AWEZNQCLSA-N 451.483 4.844 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3C)ccc1OCc1c(Cl)cccc1Cl 1865689406 RKZQMBJGXYFFKD-NRFANRHFSA-N 471.344 4.841 50 10 JJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)cc1OCC 1865691262 NZUMIXMUPHSNDX-DEOSSOPVSA-N 474.561 4.849 50 10 JJGE COc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)c(C(C)(C)C)c1 1865755692 LZYGEXDUEAJRPJ-UHFFFAOYSA-N 481.980 4.857 50 10 JJGE CCCC[C@H](NC(=O)Cc1ccc2nc(O)c(C)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1866912289 AKTGWGZPVYQYQC-QFIPXVFZSA-N 462.575 4.678 50 10 JJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C[C@@H]2CC(=O)c3ccccc32)cc1 1867234122 DDBCJVNUGIGPOH-MHECFPHRSA-N 487.556 4.825 50 10 JJGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CCc4ccccc4[C@@H]3C2)n1 1868389622 YQYJJPOGJQXZGN-QFIPXVFZSA-N 470.602 4.692 50 10 JJGE Cn1nc([C@@H](Br)c2sc(Cl)cc2I)cc1Cl 1901025381 GGWOSKWKZGCPQW-MRVPVSSYSA-N 451.942 4.877 50 10 JJGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C[C@@H](CBr)C(C)(C)C)C1 1959571720 VKZBTBGEZYGSEX-LJQANCHMSA-N 469.464 4.528 50 10 JJGE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@H]1NCCSSCCNC(=O)OC(C)(C)C 1985349789 GGINCOOANDOPSH-BRWVUGGUSA-N 463.710 4.516 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 2013362154 ABRMTKKBCMDKHD-HTAPYJJXSA-N 475.721 4.662 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCc2cccc3ccccc23)C1 2084569102 RYEYBDHUMIPVMT-QZTJIDSGSA-N 453.320 4.779 50 10 JJGE BrCc1cc(Br)cc(Br)c1OCOC[C@@H]1CCCO1 2092617904 XAUXRAAZUYRCBW-NSHDSACASA-N 458.972 4.638 50 10 JJGE O=C(N[C@H]1CCC[C@H]1CCBr)c1c(Br)cccc1Br 2094099269 KGNSVMVVZUMIKO-CABZTGNLSA-N 454.000 4.895 50 10 JJGE CN([C@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CCl)c(Br)c1 2100208660 WOSTVZZWWCVCHA-OALUTQOASA-N 458.805 4.556 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CC[C@H](Cl)CC12CCC2 2169889015 QUDRTKGOEOIVEZ-NSHDSACASA-N 468.560 4.820 50 10 JJGE Cc1cc(Br)c(CBr)c(N(C)Cc2nn(C)cc2Br)c1 2173452273 BJLSLYYWTACVTQ-UHFFFAOYSA-N 466.015 4.785 50 10 JJGE O=C(NCC[C@@H]1CCCC[C@H]1Cl)c1cc(Br)ccc1I 2179635069 AXJSBGIRBNGZOV-GXFFZTMASA-N 470.576 4.971 50 10 JJGE O=S(=O)(N[C@H](CBr)[C@@H]1CC=CCC1)c1cc(Cl)c(Br)s1 2196145794 HRAXAEJJWIDTJR-PSASIEDQSA-N 463.644 4.562 50 10 JJGE CC[C@@H]1[C@@H](CBr)CCN1C(=O)c1ccc(Cl)c(I)c1 2268346447 QKUACJLPRVRYFW-ZWNOBZJWSA-N 456.549 4.580 50 10 JJGE O=C(N[C@H]1CCC[C@H]1CCBr)c1ccc(Cl)c(I)c1 2268349125 ZMFJXYGIQXWXQB-ZANVPECISA-N 456.549 4.628 50 10 JJGE CC(C)C[C@H](Br)CNC(=O)Cc1cc(Br)cc(Br)c1 2277933650 WUKUMQMCOYUBQE-ZDUSSCGKSA-N 456.016 4.680 50 10 JJGE COc1ccc(NC=C(C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1OC 2296798370 KCNUGZBEESKEET-UHFFFAOYSA-N 476.470 4.818 50 10 JJGE COc1cc(C(=O)Nc2ccc(C(C#N)=Cc3ccc4c(c3)OCO4)cc2)cc(OC)c1OC 2297563620 DHEFDLODTLMNEC-UHFFFAOYSA-N 458.470 4.758 50 10 JJGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1scc(Br)c1Br 2310046773 IXHAPOAYXSSSBP-LKHWLPBLSA-N 458.013 4.565 50 10 JJGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 2314611639 YLBNDODPXHCNBL-UHFFFAOYSA-N 454.505 4.927 50 10 JJGE COc1sc([C@H](Br)c2c(Br)nc(C)n2C)cc1Br 2315600378 QUNJOBXLYLDRPI-QMMMGPOBSA-N 459.001 4.808 50 10 JJGE O=C(Cc1ccc(Br)cc1F)N[C@H](CCBr)COCc1ccccc1 2320357248 YFNLVQHJZXXQDK-QGZVFWFLSA-N 473.180 4.617 50 10 JJGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1cc(Br)ccc1Br 2330898534 AAPSDXFNXAUYTE-XMUKKISLSA-N 451.984 4.503 50 10 JJGE O=S1(=O)C[C@@H]2CCC[C@@]2([C@@H](Br)c2sc(Cl)cc2I)C1 2338557250 UPDRKSMORIJMJH-CQFDHEJISA-N 495.629 4.657 50 10 JJGE CC(C)[C@@H]1C[C@@H](Br)CN1C(=O)c1c(Br)cccc1Br 2344617031 WLCJALBIGYBARJ-SKDRFNHKSA-N 454.000 4.846 50 10 JJGE Clc1ccc(I)cc1CN1CCC2(CC1)C[C@@H]2CBr 2352420800 JMLRPUNLNRPCKB-GFCCVEGCSA-N 454.577 4.942 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1C[C@@H](Br)C2(CCCC2)C1 2365584150 LIBCMKZOFHPEHH-CYBMUJFWSA-N 468.560 4.724 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(C)cc2C)cc1Br 14640643 LHUMDGNRRYKQPE-UHFFFAOYSA-N 477.399 4.865 50 10 JJGE CCCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1Br 14647412 SRIXGZDEGWJAJL-HNNXBMFYSA-N 471.351 4.620 50 10 JJGE CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)OC)cc2OC)cc1OC 33378110 HXFVIKIMEASKOQ-JFCNABASSA-N 479.529 4.972 50 10 JJGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1Br 38678483 CFGHDYOOCXBDMT-QFIPXVFZSA-N 477.314 4.895 50 10 JJGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc21 38681345 PWQFYOPMKHCUMG-AREMUKBSSA-N 456.498 4.678 50 10 JJGE Cc1ccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1Cl 40591082 IYQYAXMYYVAWOC-UHFFFAOYSA-N 497.726 4.919 50 10 JJGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813279 UOZWUINFONQFJH-QUPMIFSKSA-N 490.991 4.674 50 10 JJGE Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813479 CFEXKQNBVZCFPQ-ZXVVBBHZSA-N 494.935 4.892 50 10 JJGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 40826541 AUGBASKRSTVNIW-ZTKZIYFRSA-N 454.486 4.565 50 10 JJGE Cc1cccc(Cn2cccc(C(=O)N/N=C\c3ccccc3COc3ccccc3)c2=O)c1 169918087 ZVNUEJMUXHNZMN-MIXAMLLLSA-N 451.526 4.548 50 10 JJGE O=C(NCCCCCCI)c1cc(Br)c(Br)s1 232484985 AGHNYSCYWLOIHQ-UHFFFAOYSA-N 495.018 4.998 50 10 JJGE O=C(N[C@@H]1CCCCC[C@H]1Cl)c1cc(I)ccc1Br 236043807 OMBGSVAJVCMVAD-CHWSQXEVSA-N 456.549 4.724 50 10 JJGE ClCc1nc2cc(I)ccc2n1Cc1ccncc1Br 686556929 RUDBVWJAWIESQV-UHFFFAOYSA-N 462.516 4.586 50 10 JJGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@]1(C)CBr 694700387 NFSXJVSSEDXUNG-OTYXRUKQSA-N 454.000 4.705 50 10 JJGE C/C(=C/C(=O)NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1ccccc1Cl 1306151373 LPUAGHQQWNCPQD-OWBHPGMISA-N 450.951 4.913 50 10 JJGE C=CC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)Nc1ccc(Br)cc1Cl 1470489410 ILMPLMGAXHCRTF-HNNXBMFYSA-N 451.752 4.626 50 10 JJGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772750750 KBBDMSSWJVMXCH-UHFFFAOYSA-N 474.439 4.736 50 10 JJGE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)c1 1858685871 XCRWIHUZTVYSAO-MRXNPFEDSA-N 450.451 4.624 50 10 JJGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1cccc(Br)c1 1865684220 NRAHMKQYIAJDND-IBGZPJMESA-N 465.351 4.949 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cccc(OC)c1O)C(C#N)=C(N)O2 1865684741 XCGRHRRLYDQELY-LJQANCHMSA-N 481.350 4.520 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccn1 1865700506 VWFWYNJBAXVWTP-HNNXBMFYSA-N 466.250 4.870 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1cccc([N+](=O)[O-])c1 1865705854 HGQMNJZTFJEAIC-INIZCTEOSA-N 475.814 4.730 50 10 JJGE COc1ccc(-c2ccc(C(=O)NNC(=O)COc3ccc(C)cc3C(C)(C)C)c(C)n2)cc1OC 1865759150 KVRXXDUVBHGTJG-UHFFFAOYSA-N 491.588 4.520 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2cc(-c3ccco3)on2)cc1 1866644446 NLPYHQUIUAQMSG-IBGZPJMESA-N 476.489 4.627 50 10 JJGE O=C(NCC[C@@H]1CCC[C@H]1Br)c1cc(Br)sc1Br 1913721872 RSLCWIAREBLSOW-IONNQARKSA-N 460.029 4.957 50 10 JJGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cccc(F)c1Br 1916383885 RAFUKUWILCGPPS-AWEZNQCLSA-N 459.153 4.641 50 10 JJGE O=P(OCCCl)(OCCCl)O[P@@](=O)(OCCCl)OC1(CCl)CCOCC1 1933258278 FHNLXVHPLGLRMR-SANMLTNESA-N 498.060 4.790 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CCC(F)(CBr)CC1 2039793957 CLMSGMLHDUNHJZ-UHFFFAOYSA-N 463.992 4.612 50 10 JJGE N#CC(=Cc1c(-c2ccccc2)nc2sccn12)c1nnc(N2CCOCC2)n1-c1ccccc1 2042453501 MPELZBRZMXBFFT-UHFFFAOYSA-N 479.569 4.544 50 10 JJGE C[C@]12CN(C(=O)c3cc(Br)sc3Br)C[C@]1(CBr)C2 2046799275 TYZPPDNBQARUDT-NWDGAFQWSA-N 458.013 4.520 50 10 JJGE O=C(NCc1scc(Br)c1Br)[C@H](Br)C1CCCC1 2048151687 NIGDNWVFVYLKSX-SNVBAGLBSA-N 460.029 4.843 50 10 JJGE O=S1(=O)C[C@@H]2[C@H]([C@H](Br)c3c(Br)sc(Br)c3Cl)[C@@H]2C1 2054226360 JDCNYNYXKNNCKD-RULRNXASSA-N 499.471 4.653 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@@H](Br)CC2(CCC2)C1 2151350390 ZXCCGSPYCZSNIW-JTQLQIEISA-N 466.011 4.991 50 10 JJGE COc1ccc(-n2c(C)cc(C=C(C#N)C(=O)Nc3cccc(CN(C)C(C)=O)c3)c2C)cc1 2297439461 XMWZTWZJEKXTEQ-UHFFFAOYSA-N 456.546 4.627 50 10 JJGE N#CC(=Cc1ccc2c(c1)OCO2)C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21 2297486818 JLROKPZTFWDFHS-UHFFFAOYSA-N 456.479 4.695 50 10 JJGE C[C@@H]1C[C@@H](Br)CCN1Cc1ccc(I)c(Br)c1 2306223502 GMVVBSJUGYLNRA-KOLCDFICSA-N 472.990 4.802 50 10 JJGE O=S1(=O)CC[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315461484 SZHYHJGFFNPPBT-POYBYMJQSA-N 485.394 4.627 50 10 JJGE FC(F)(CI)C(F)(F)CNCc1sc(Cl)cc1Br 2322454214 DRDYBGLGXXHQNO-UHFFFAOYSA-N 480.490 4.959 50 10 JJGE N#CC(=Cc1cccc(Br)c1)C(=O)Nc1ccc(I)cc1F 2329696357 CCJQLZHVUFVNEF-UHFFFAOYSA-N 471.067 4.738 50 10 JJGE O=S1(=O)CCC[C@H]1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2335372022 RTYYJOQRFOYNID-OIBJUYFYSA-N 454.970 4.908 50 10 JJGE CCc1ccc(OCC(=O)NNC(=O)[C@H](CC)Oc2ccccc2[C@H](C)CC)c(Br)c1 10683680 NBJUIJQUXQGGSI-UZLBHIALSA-N 491.426 4.909 50 10 JJGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1 14037330 RKUZOGFNEDKANP-UHFFFAOYSA-N 491.613 4.640 50 10 JJGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)[C@H](C)Oc1c(C)cc(Br)cc1C 14642987 UCYNJTLUGFQSRB-YOEHRIQHSA-N 477.399 4.573 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 38653434 KUDURAZBIRWDOA-NRFANRHFSA-N 492.285 4.795 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@@H]1c1ccccc1Br 38678624 YXCREMPTLSWLGB-IBGZPJMESA-N 453.317 4.948 50 10 JJGE COc1ccccc1NC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2)nc2c(C)cccn2c1=O 39992902 VUDVPBAZLJJBTG-XDJHFCHBSA-N 466.497 4.658 50 10 JJGE COc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)c1 40813428 HLPYWXJXKAOJMC-OVVQPSECSA-N 496.907 4.881 50 10 JJGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccccc1OCc1ccc(Br)cc1 58892367 RLXKXRLFMIMIAZ-JMTCZITHSA-N 467.363 4.992 50 10 JJGE CC(C)Cc1ccc([C@H](C)C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 66199352 CUCPLROECNFCLJ-AWEZNQCLSA-N 467.791 4.631 50 10 JJGE COc1cc([C@H](C(=O)NC2CCCCCC2)N(C(=O)CCl)C2CC2)ccc1OC(C)C 97914878 LSUQFPUFQITUPZ-HSZRJFAPSA-N 451.007 4.592 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2cccnc2)cc1 102857995 MTWCYQLLNQMTGN-KQWNVCNZSA-N 463.541 4.946 50 10 JJGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCC)cc2OC)cc1 103647744 GZSXTEVBQGCQJM-CPTCYYDTSA-N 487.556 4.820 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1OC 205649351 CNYQRPARGLTFIP-FEMMLKEQSA-N 468.509 4.931 50 10 JJGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(N)=O)cc2OC)ccc1OCc1ccccc1C 206508945 RSSFKUGBCAYAKJ-RBDDCPLMSA-N 498.535 4.602 50 10 JJGE COC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCCC(C)C)c(OC)c2)c(OC)c1 207166519 QMWKQQADZLGYOQ-HCYZRJLASA-N 479.529 4.827 50 10 JJGE O=S(=O)(N[C@@H]1CCC[C@@H]1CBr)c1c(Cl)cc(Br)cc1Cl 231618509 FAZRETFWKFVBQZ-RDDDGLTNSA-N 466.022 4.598 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1CCC[C@H]1CCCBr 232348212 YKDGGSJKKOCODL-LLVKDONJSA-N 456.549 4.724 50 10 JJGE O=C(NC1CCC(CBr)CC1)c1cc(Cl)ccc1I 302626811 ROGLUGZSDKJCGX-UHFFFAOYSA-N 456.549 4.628 50 10 JJGE O=C(NN=Cc1cc(Cl)cc(Br)c1O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 1082753799 LSIZHEURGPINFO-UHFFFAOYSA-N 490.716 4.963 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(Cl)cc1 1084130547 WKHMHUUMIFGFEO-NVNXTCNLSA-N 496.732 4.527 50 10 JJGE O=[N+]([O-])c1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CBr)c(Br)c1 1614640648 CTCIOEUMKDTRFV-YOEHRIQHSA-N 454.162 4.968 50 10 JJGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNc1ccc(F)cc1)CCC2 1772750480 BJXVCJVXOWXUCP-UHFFFAOYSA-N 454.889 4.608 50 10 JJGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Oc5cccnc5)c(C)c43)coc2c1C 1772752184 XMFVXLIVACYHBC-UHFFFAOYSA-N 471.513 4.965 50 10 JJGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1ccc(C)cc1 1865692472 GHFQOWALFQGVGA-QHCPKHFHSA-N 458.562 4.818 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc1 1865694819 CLVCMMNFTCHZTH-QHCPKHFHSA-N 465.513 4.560 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(Br)cc1 1865714837 REYRIKHJIKFKEL-OAHLLOKOSA-N 461.241 4.872 50 10 JJGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865715025 TXLACHKTLUTWPT-QHCPKHFHSA-N 495.495 4.688 50 10 JJGE CC[C@](C)(NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(SC#N)cc1 1866867059 MBODPNCEJCDTNE-YKSBVNFPSA-N 481.647 4.522 50 10 JJGE CS(=O)(=O)C1([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1 2002551999 QOWGDSDPVLHFNZ-ZCFIWIBFSA-N 487.460 4.893 50 10 JJGE BrCCC[C@H]1CCCN1c1ncc(I)cc1Br 2015764436 ARXNMHLUVTUSEO-JTQLQIEISA-N 473.978 4.593 50 10 JJGE CC[C@@H](C)[C@@H](Br)CNC(=O)c1ccc(I)c(Br)c1 2029970726 JJDBJOIOTSDDAT-KCJUWKMLSA-N 488.989 4.593 50 10 JJGE CC(C)[C@@H](Br)[C@@H](C)NC(=O)c1cc(Br)ccc1I 2041306762 HGPYBCVPNVNTDC-PRHODGIISA-N 488.989 4.592 50 10 JJGE O=C(N[C@H]1CC[C@H](CBr)CC1)c1csc(Br)c1Br 2054668059 UNDQTEAMILVHIC-ZKCHVHJHSA-N 460.029 4.957 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2065397432 OROJHECBROUWFH-JIGDXULJSA-N 458.013 4.519 50 10 JJGE CC[C@H](CCBr)CNC(=O)c1ccc(Br)cc1I 2086146789 FHMWVPILHWWALU-SECBINFHSA-N 488.989 4.595 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H]1CBr)c1cccc(Br)c1Br 2092339254 BZWRVMNXACMCME-ZJUUUORDSA-N 454.000 4.753 50 10 JJGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CO[C@H]3COC[C@H]23)c1Br 2138870529 JLXSWXZUVOBMPB-KLTVKPSUSA-N 454.984 4.617 50 10 JJGE CC1(C)CC[C@@H](CCl)N1C(=O)c1cc(Br)ccc1I 2140846436 YHEFOTWVNVPXJV-JTQLQIEISA-N 456.549 4.676 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H](Cl)C1)c1ccc(Br)cc1I 2142284561 DVAHBUFSVVFRJD-MWLCHTKSSA-N 456.549 4.581 50 10 JJGE CC(C)(C)[C@@H]1C[C@H](CBr)CN(C(=O)c2sccc2I)C1 2165001426 LCGKULILUDNCGJ-GHMZBOCLSA-N 470.214 4.872 50 10 JJGE CC(C)(C)OC(=O)N1CCN(C[C@H](CBr)c2ccccc2)[C@H](C(F)(F)F)C1 2186682017 IACCZULDZRFBDA-HOTGVXAUSA-N 451.327 4.649 50 10 JJGE O=C(c1csc(Br)c1Br)N1CCC(OCCCBr)CC1 2207518483 BIEYDRXZRWOHAZ-UHFFFAOYSA-N 490.055 4.679 50 10 JJGE CC1(C)CN(c2ncc(I)cc2Br)C[C@@H]1CCBr 2222552890 MKDXRDMLAAYQFR-VIFPVBQESA-N 488.005 4.696 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](OCC23CC4CC(CC(C4)C2)C3)[C@H](I)C1 2223895196 VDTZPZPLMNEDCM-YXYZJKKLSA-N 461.384 4.642 50 10 JJGE BrCc1c(Br)cccc1OCCOCCOCCOCc1ccccc1 2227772170 OVLKLJMQJVMHQG-UHFFFAOYSA-N 488.216 4.973 50 10 JJGE CC1(C)CN(C(=O)c2cc(Br)ccc2I)C[C@@H]1CCCl 2238466994 AFZCVGLOQQYTRK-JTQLQIEISA-N 470.576 4.781 50 10 JJGE O=C(Nc1ccc(Cl)cc1CBr)c1ccc(I)c(O)c1 2239462989 MEYUYRWQMAUSFW-UHFFFAOYSA-N 466.500 4.797 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC[C@@H]1CC(F)(F)C12CCC2 2247315283 BUAJGIGUNFWZOU-WFASDCNBSA-N 459.315 4.547 50 10 JJGE C[C@@]1(CNC(=O)c2c(Br)cccc2Br)CCC[C@@H]1Br 2271303936 ZCTAYOVXMMGSPQ-FZMZJTMJSA-N 454.000 4.895 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1CCC[C@@H](CBr)C1 2295314905 FDHLWXIYNANDGI-QMTHXVAHSA-N 468.027 4.824 50 10 JJGE C[C@@H](Br)[C@@H]1CCCN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295316741 CBQYJRZQYMMZBT-ZYHUDNBSSA-N 468.027 4.776 50 10 JJGE COc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 2296507176 XHPFCCDNUCRQMK-HSZRJFAPSA-N 473.529 4.899 50 10 JJGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCc2ccccc2)c1C 2296543454 CTZYFGKKGDCLGH-UHFFFAOYSA-N 464.525 4.635 50 10 JJGE N#CC(=Cc1ccccc1)C(=O)OCC(=O)Nc1nc(-c2cccc(Br)c2)cs1 2297400642 JSUOUGICXJQBNN-UHFFFAOYSA-N 468.332 4.661 50 10 JJGE CC(C)(CI)CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 2306808839 DFBNLHCHOIJICT-OAHLLOKOSA-N 450.405 4.559 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2C=C(C#N)C(=O)Nc2ccccc2)cc1 2313540992 IGOZSDRAWCAVKM-UHFFFAOYSA-N 452.919 4.962 50 10 JJGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)CC1=O 2331351815 BZZKDMQXDKWEAQ-AWEZNQCLSA-N 481.480 4.721 50 10 JJGE O=[N+]([O-])c1ccc(OCc2sccc2I)c(CBr)c1 2338752738 OWYDHHVWWFBUBN-UHFFFAOYSA-N 454.083 4.735 50 10 JJGE CCOc1cc(C(=O)N/N=C/C=C2\N(C)c3ccccc3C2(C)C)cc(OCC)c1OCC 3208180 OABDUYHRZHGLLD-ZQPJOMHKSA-N 451.567 4.910 50 10 JJGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccccc1[C@H](C)CC 14032966 AXKHYFFBRZUSGN-LJQANCHMSA-N 485.650 4.874 50 10 JJGE CC(C)CCOc1ccc(C(=O)NNC(=O)COc2ccccc2C(C)C)cc1Br 14645582 ABDLVCGJTLBDTG-UHFFFAOYSA-N 477.399 4.837 50 10 JJGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Br)c1 38651451 FMKMEEQQOVMCAK-JOCHJYFZSA-N 477.314 4.895 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@H]1c1cccc([N+](=O)[O-])c1 38653427 KUDURAZBIRWDOA-OAQYLSRUSA-N 492.285 4.795 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)c1OC 38658745 PUGSLMSEFHHSPX-XMMPIXPASA-N 492.915 4.560 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 254399410 WFUPGHFSRJVHAJ-UHFFFAOYSA-N 499.527 4.765 50 10 JJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cccc4ccccc34)cc2)cc1OC 254869305 FNLPGCRFIDAMKA-UHFFFAOYSA-N 484.508 4.605 50 10 JJGE O=C(CBr)c1cc(I)cc(Br)c1C(F)F 575683602 CCFCRFCZJFKBLM-UHFFFAOYSA-N 453.846 4.569 50 10 JJGE CC1(C)CN(c2ncc(C(F)(F)F)cc2I)CC[C@@H]1Br 686109746 NYSMNLKRSWYMDQ-JTQLQIEISA-N 463.079 4.705 50 10 JJGE C[C@H]1CC[C@H](CCl)CN1C(=O)c1cc(I)ccc1Br 688696139 LMVVEVJCDAYYOS-VHSXEESVSA-N 456.549 4.533 50 10 JJGE C#Cc1cccc(NC(=S)NNC(=O)[C@H](Sc2ccc(F)cc2F)c2ccccc2)c1 1303280970 UZXLFYPDXBYLPE-OAQYLSRUSA-N 453.539 4.797 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2cc(Cl)ccc2[N+](=O)[O-])C1 1614616468 PJIKKRIFIHNCJY-GXFFZTMASA-N 466.703 4.634 50 10 JJGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(O)c([N+](=O)[O-])c2)cc1 1865715027 TYPJBJVSINUUIM-QHCPKHFHSA-N 479.496 4.739 50 10 JJGE C/C(=N/NC(=O)c1ccc(-c2ccc(C)c(C)c2)nc1C)c1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 1865763187 ZFPYHNXNNGPNCR-KIOJSIHTSA-N 456.546 4.572 50 10 JJGE Cc1oc(-c2ccc(C(C)(C)C)cc2)nc1CC(=O)NCC(=O)Nc1ccc(SC#N)cc1 1868138003 XJZCIKKOLKNGPL-UHFFFAOYSA-N 462.575 4.818 50 10 JJGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN([C@H](C)c3cccs3)CC2)n1 1868253482 IWEPPRHRBAAKHA-GOSISDBHSA-N 480.663 4.927 50 10 JJGE BrCC1(COc2cc(Br)cc(I)c2)CCC1 1901054038 WFZWYRNZGAAEIA-UHFFFAOYSA-N 459.947 4.998 50 10 JJGE CC1(C)CC(CBr)(CN(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)C1 1903470500 PWRNXWODCWGTBU-UHFFFAOYSA-N 481.475 4.672 50 10 JJGE CC[C@H](C)c1ccc(S(=O)(=O)N(C)C[C@H](Br)COCc2ccccc2)cc1 1916334899 LXPWDOVEILQVSP-PXNSSMCTSA-N 454.430 4.801 50 10 JJGE Cc1ccc(Br)cc1C(=O)N(C)C[C@H](Br)COCc1ccccc1 1916385245 GFUJGGYEALLRGG-KRWDZBQOSA-N 455.190 4.810 50 10 JJGE C[C@@H]1CC[C@H](CBr)N(C(=O)c2scc(Br)c2Br)C1 2048050698 CCYYNUGOPDASHY-HTQZYQBOSA-N 460.029 4.909 50 10 JJGE C[C@@H]1CN(c2ncc(I)cc2Br)CC[C@H]1CCBr 2069529923 UMFBFSVOGGGPSL-NXEZZACHSA-N 488.005 4.696 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@H]2CC[C@@]1(CBr)C2 2092334584 IDAHYQWHVCWMRV-XPTSAGLGSA-N 451.984 4.601 50 10 JJGE C[C@H]1C[C@@H](CBr)CCN1C(=O)c1cc(Br)ccc1Br 2115841309 DORSXSZFGORBBE-UWVGGRQHSA-N 454.000 4.847 50 10 JJGE O=S(=O)(c1cc(Cl)cc(CBr)c1Cl)N1CCC=C(Br)C1 2179863786 RIVKSOZMWAJYSN-UHFFFAOYSA-N 464.006 4.562 50 10 JJGE O=S1(=O)C[C@@H]2CCC[C@@]2([C@@H](Br)c2cc(Br)ccc2Br)C1 2201883038 QZKLFPQCZZPQPJ-QCZZGDTMSA-N 487.051 4.863 50 10 JJGE C[C@@H](Cl)c1nc2cncc(Br)c2n1C[C@H]1CC1(Br)Br 2224804146 ZMXFZKNMEUIOJV-RNFRBKRXSA-N 472.406 5.000 50 10 JJGE COc1ccc([C@H](Br)c2nn(C)c(Br)c2C)cc1I 2269543286 LUZVGAWUAZEERD-NSHDSACASA-N 499.972 4.589 50 10 JJGE C[C@H](Cl)CN(C(=O)c1ccc(I)c(Br)c1)C1CCC1 2272428691 NAAIXSFKYWHBCH-VIFPVBQESA-N 456.549 4.676 50 10 JJGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1csc(Br)c1Br 2310031248 CHCBOYJMVMGORS-UXXCCHNYSA-N 458.013 4.565 50 10 JJGE COC(=O)COc1c(Cl)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 2313571039 LYIAQTNHMDVTML-UHFFFAOYSA-N 469.708 4.753 50 10 JJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1 2314634727 DAJMJEYRLUYLNI-AREMUKBSSA-N 466.493 4.619 50 10 JJGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)c1 2314634786 LFALOOUCGUDLPV-MHZLTWQESA-N 468.509 4.931 50 10 JJGE CC(C)Oc1c(Cl)cc(C=NNC(=O)c2cccn(Cc3ccccc3)c2=O)cc1Cl 2323642153 XEQKPDDEVICNIQ-UHFFFAOYSA-N 458.345 4.755 50 10 JJGE C=CC[C@H](Br)[C@@H]1CCN1C(=O)c1cc(Br)ccc1Br 2335810247 LLSJHSOFIMVAQB-STQMWFEESA-N 451.984 4.766 50 10 JJGE CC1(C)CC(CBr)(CN=[S@@]2(=O)CCN(C(=O)OC(C)(C)C)CC2(C)C)C1 2345011731 VODUCSCTHJCAHZ-AREMUKBSSA-N 451.471 4.685 50 10 JJGE CC(C)(C)N1C[C@H](Br)[C@H](Cc2cc(I)ccc2Cl)C1 2352416656 XRXHLMOBKIQPSY-YPMHNXCESA-N 456.593 4.981 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1C[C@H]2C[C@H](Br)CC[C@H]2C1 2365589778 ZGENOJKKZDNOPH-HBNTYKKESA-N 468.560 4.580 50 10 JJGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)cc1 2209475 CYWGOFIDFSDBQS-JWGURIENSA-N 471.538 4.696 50 10 JJGE CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 9872669 QKKIASZNLCJKDM-UYAOXDASSA-N 473.573 4.989 50 10 JJGE O=C(NNc1ncnc(Nc2cccc3ccccc23)c1[N+](=O)[O-])c1ccccc1Br 40627204 ZGJZFPVMMFLOQM-UHFFFAOYSA-N 479.294 4.801 50 10 JJGE Cc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1 40912314 FHBWVQJYEYROEB-AFUMVMLFSA-N 453.336 4.866 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1 101336587 KVBPQSRLYMAYOI-BUVRLJJBSA-N 460.493 4.925 50 10 JJGE C[C@H](Sc1nccn1-c1ccc(Br)cc1)C(=O)C(C#N)=C1Nc2ccccc2N1 105027654 NRSAJINDKQJZDV-ZDUSSCGKSA-N 466.364 4.957 50 10 JJGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NCc4ccccc4)c(=O)oc3c2)cc1 206523235 BUZGIELQMSAMQH-HMAPJEAMSA-N 494.503 4.634 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)/C=C\c1ccc(OC(C)C)c(OC)c1 207009302 JEXHDFIUSTWLLS-XWZIBCNGSA-N 478.545 4.541 50 10 JJGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccccc2O)cc1 254484748 IFKRPVYHGAXSMR-UCXZIRHNSA-N 470.573 4.550 50 10 JJGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc(N(C)C)cc3)nnc2-c2ccccc2)cc1 254582663 CKSDVFGJOMYBBY-UHFFFAOYSA-N 470.602 4.551 50 10 JJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccccc2C)cc1OC 254703123 NEKZPXNGFANYKF-UHFFFAOYSA-N 498.535 4.914 50 10 JJGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc([N+](=O)[O-])c3)n2C2CCCCC2)cc1 254870792 DEKKSQHXANZQOR-UHFFFAOYSA-N 478.578 4.909 50 10 JJGE C[C@@H](Br)C[C@@H]1CCCN1C(=O)c1cc(Br)cc(Br)c1 302570008 AOXQNMYFOAETAW-RNCFNFMXSA-N 454.000 4.990 50 10 JJGE Cc1cnc(COc2c(Br)cc(CBr)cc2Br)nc1 692593694 LLZFIENAWFVQHB-UHFFFAOYSA-N 450.956 4.784 50 10 JJGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)c(C)n1C1CCCCC1 728088585 KKYDGYALYZTNOE-UZQMFHLOSA-N 475.545 4.663 50 10 JJGE O=C(CSCc1ccccc1Cl)NN=C1C(=O)N(CCOc2ccccc2)c2ccccc21 1083975711 OLKXLBDTBYRPFA-UHFFFAOYSA-N 479.989 4.519 50 10 JJGE Cc1c(C(=O)Oc2ccc(F)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772748120 NPAPACLKUVMALZ-UHFFFAOYSA-N 485.855 4.978 50 10 JJGE CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1 1865683162 HNQKAGUCOXTBTF-KRWDZBQOSA-N 459.859 4.829 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)ccc1O 1865705743 DNBMGYYRZGABLP-QGZVFWFLSA-N 476.842 4.536 50 10 JJGE Brc1sc(Br)c([C@H](Br)[C@@H]2COCCO2)c1Br 1924579485 GHHRLGSVLWUIEJ-UJURSFKZSA-N 499.844 4.887 50 10 JJGE C[C@@H](Br)C(=O)Nc1cc(Br)c(Br)c(Br)c1 1931650706 SPVYHPXROPMPDM-SCSAIBSYSA-N 464.777 4.696 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 1989959315 MMDHATSRJQWKQX-INIZCTEOSA-N 463.710 4.518 50 10 JJGE CC(C)[C@H](Br)CCNC(=O)c1cc(Br)ccc1I 2029917412 RPQIDNCDGHWRFM-LLVKDONJSA-N 488.989 4.593 50 10 JJGE CN(C[C@@H]1CCC[C@H]1Br)C(=O)c1csc(Br)c1Br 2032955727 DNXRGRVTDWSBMK-IONNQARKSA-N 460.029 4.909 50 10 JJGE Brc1cc(I)cnc1N1C[C@@H](Br)C2(CCCC2)C1 2069529986 VBWLASKGJWJPND-LLVKDONJSA-N 485.989 4.593 50 10 JJGE C[C@@H](Br)[C@@H]1CCCCN1C(=O)c1cccc(Br)c1Br 2092332490 GDRPGBNERAAQAE-SKDRFNHKSA-N 454.000 4.990 50 10 JJGE CC1(C)CC[C@H](Br)CN1C(=O)c1c(Br)cccc1Br 2099875002 SVMSYGNQGPHENH-VIFPVBQESA-N 454.000 4.990 50 10 JJGE FC(F)(F)[C@@]1(CBr)CCN(c2ncc(Br)cc2Br)C1 2111392817 QMPLEEVKTMTBSM-SNVBAGLBSA-N 466.921 4.760 50 10 JJGE O=S(=O)(c1cc(CBr)ccc1Cl)N1CCCN(Cc2ccccc2)CCC1 2179784857 FHGBDOYYURZUNI-UHFFFAOYSA-N 471.848 4.522 50 10 JJGE Brc1ccc([C@H](CI)O[C@H]2CCN3CCC[C@@H]3C2)cc1 2199475297 NWGFEUSTPIZEFI-PMPSAXMXSA-N 450.158 4.569 50 10 JJGE COc1ccc([C@@H](Br)C2CC(Br)C2)cc1I 2243905553 PWLWXTKCCFKUGT-SHVIVCPWSA-N 459.947 4.909 50 10 JJGE CC(C)c1cc(CCl)cc(-n2cnc(I)c2I)c1 2254750797 NFLFDRUKYXVBHC-UHFFFAOYSA-N 486.522 4.944 50 10 JJGE COCC12CC([C@@H](Br)Cc3cc(Br)cc(Br)c3)(CO1)C2 2295333054 FNYVWZZZZAEUMC-NFOMZHRRSA-N 469.011 4.713 50 10 JJGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2313510917 DCPIQEIKZHDSEW-UHFFFAOYSA-N 460.402 4.850 50 10 JJGE COc1cc(C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 2314617440 YLMWIZISTBOWPC-UHFFFAOYSA-N 488.540 4.641 50 10 JJGE Clc1cc(I)c([C@H](Br)[C@H]2CCn3nccc3C2)s1 2316604585 BISIEGVNYMSPRL-WRWORJQWSA-N 457.562 4.901 50 10 JJGE COc1ccc(CCN(C)C[C@@H](Br)COCc2ccccc2)c(Br)c1 2317220227 JOAQPFGRFNHHES-GOSISDBHSA-N 471.233 4.912 50 10 JJGE C[C@H]1CCN(Cc2ccc(I)c(Br)c2)C[C@@H]1CBr 2325212833 HKGHWLFNJBJBGD-JQWIXIFHSA-N 487.017 4.907 50 10 JJGE N#CC(=C(O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2cccc3ccccc23)cs1 2331340063 QHNMUNJDNGJXCK-UHFFFAOYSA-N 482.477 4.960 50 10 JJGE CC(C)CN1C[C@@H](Br)[C@@H](Cc2cc(I)ccc2Cl)C1 2352432095 OTHKELBOAYHTJS-GXTWGEPZSA-N 456.593 4.838 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@@H](Br)[C@H]2CC[C@H]21 2360163867 SRISVCVIQMOKFN-MGPQQGTHSA-N 466.011 4.529 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CC2(CCC2)C[C@H]1CBr 2365598156 OIPADZIYUYTKNU-NSHDSACASA-N 468.560 4.724 50 10 JJGE Cc1ccc(C2=CS/C(=C(/C#N)C(=O)N3CCN(C(=O)C4CC4)CC3)N2c2ccc(C)cc2)cc1 37441815 PTWRAQGSANDOJT-COOPMVRXSA-N 484.625 4.671 50 10 JJGE CCCc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 40569393 JISHQFOXZHUAHL-FOIQADDNSA-N 460.361 4.505 50 10 JJGE CCOc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812160 TWUIMWSOTHNHMT-ZXVVBBHZSA-N 476.489 4.618 50 10 JJGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3cccnc3)CCC4)c2n1 40814189 QVPUQIWXUIAXQM-VUTHCHCSSA-N 454.486 4.529 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cccc(Cl)c1 40925739 RZFDXNVEIUXOTG-WOJGMQOQSA-N 450.878 4.774 50 10 JJGE CCC1CCC(=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)CC1 59371766 HJBHQXHAVNLXHE-UHFFFAOYSA-N 492.439 4.717 50 10 JJGE C/C(=N/NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 59928312 WCJMUVUCJCALNO-LNMVVECWSA-N 486.956 4.571 50 10 JJGE CC(C)(C)C[C@H](Br)CNC(=O)c1ccc(I)c(Cl)c1 226228866 XXHOXXOYONFUPS-JTQLQIEISA-N 458.565 4.874 50 10 JJGE CCOc1cc(C=NNC(=O)c2cc(-c3cccc(OCc4ccccc4)c3)[nH]n2)ccc1O 254395919 FHNIZYBHXXFNOY-UHFFFAOYSA-N 456.502 4.524 50 10 JJGE CCn1c(SCC(=O)NN=Cc2cc(OC)ccc2OC)nnc1-c1ccc(C(C)(C)C)cc1 254506799 GEGRJSZOUFWGPY-UHFFFAOYSA-N 481.622 4.522 50 10 JJGE Cc1ccc2nc(CCl)n(-c3ccc(I)c(Br)c3)c2n1 312541767 IGHUDCZCSAZCGA-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE C[C@@H](Br)C[C@@H]1CCCCN1C(=O)c1ccc(F)cc1I 380228549 KYSAVGQWAPVVDX-PWSUYJOCSA-N 454.121 4.599 50 10 JJGE O=C1Cc2cc([C@H](Cl)c3ccccc3I)c(Br)cc2N1 380452281 PZYCCPBOXBACDX-OAHLLOKOSA-N 462.512 4.877 50 10 JJGE CC1(C)CN(C(=O)c2cc(I)ccc2Br)CC[C@@H]1Cl 388774653 IZNLVJNCHGJWQX-LBPRGKRZSA-N 456.549 4.533 50 10 JJGE ClCCc1nc2cc(I)ccc2n1[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 398438072 HHMNMMVWYULPAC-LFUKPOHLSA-N 477.777 4.725 50 10 JJGE COc1cc(C=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)ccc1OC(=O)c1ccncc1 917029292 AGNNCHYSPMVOCQ-UHFFFAOYSA-N 475.501 4.941 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 1084108082 YHFLXDBECZKHEU-RCCKNPSSSA-N 489.963 4.912 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccccc2OCc2ccc(C(=O)O)cc2)cc1 1084138837 MTASQAHWJCRHJO-UHFFFAOYSA-N 460.530 4.790 50 10 JJGE O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1OCc1ccccc1 1084438374 LLZRVEBTLBZMMQ-UHFFFAOYSA-N 499.592 4.611 50 10 JJGE Cc1c(C(=O)N2CCCC[C@@H]2C)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747979 MPHXMQSIROXMOB-ZDUSSCGKSA-N 472.929 4.635 50 10 JJGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)cc1 1772748210 OTDQVUSWOXJQBU-UHFFFAOYSA-N 494.551 4.595 50 10 JJGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 1865708734 FBNFMCJXLFBCRX-NRFANRHFSA-N 462.937 4.542 50 10 JJGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714422 JXWPSZZELNRHAJ-GOSISDBHSA-N 486.167 4.924 50 10 JJGE C/C(=N/NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)nc1C)c1ccc(S(C)(=O)=O)cc1 1865763510 OVFJAURUWNKWHE-ZMFRSBBQSA-N 476.385 4.921 50 10 JJGE CS(=O)(=O)Nc1ccc(/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872745767 BZUSMXGUECBBMF-VLGSPTGOSA-N 476.377 4.894 50 10 JJGE CCOc1cc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1ccccc1Cl 1873793488 MRFJYEJTLRKQCO-HEOQCTJZSA-N 475.973 4.681 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC1C[C@@H]2CCC[C@H](C1)N2C(=O)OC(C)(C)C 2010829316 UQVWEBCXOVIMGQ-AYHJJNSGSA-N 475.721 4.803 50 10 JJGE CN(C[C@H]1C[C@@H]1Br)C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2020201032 OMHPPGYMQYQWID-YGRLFVJLSA-N 462.182 4.652 50 10 JJGE O=C(N[C@H]1CCCC[C@@H]1CBr)c1csc(Br)c1Br 2032953383 IKQRMOVKWWJISW-APPZFPTMSA-N 460.029 4.957 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C 2061268065 NQKOFSBKEPNOAY-KZNAEPCWSA-N 489.748 4.906 50 10 JJGE C[C@H]1C[C@@H](Br)CCN(C(=O)c2cc(Br)ccc2Br)C1 2103285623 JTEIMVCIBQWZEG-ONGXEEELSA-N 454.000 4.847 50 10 JJGE BrCCO[C@@H]1CCCN(Cc2c(Br)cccc2Br)C1 2113856167 KNTHSHKBILRDOR-LLVKDONJSA-N 456.016 4.588 50 10 JJGE C[C@@H](c1cc(Br)cs1)N(C)S(=O)(=O)c1csc(CBr)c1 2186574543 XNBIVZMMUAHMES-QMMMGPOBSA-N 459.250 4.849 50 10 JJGE COCC(CCOc1c(Br)cc(Br)cc1CBr)COC 2187553203 ZFHIHKQUZPFQNL-UHFFFAOYSA-N 475.015 4.784 50 10 JJGE O=C(c1ccc(Br)cc1I)N1C[C@H](Cl)C2(CCCC2)C1 2207273725 WYQVLXQQCHRMEW-ZDUSSCGKSA-N 468.560 4.677 50 10 JJGE CC1(C)CCC[C@@]1(CBr)NC(=O)c1c(F)cccc1I 2282810794 XDSFAXGJGVJSAH-HNNXBMFYSA-N 454.121 4.504 50 10 JJGE CC1(C[S@@](C)(=O)=NC[C@@](C)(CBr)C(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2352084757 UOTUALITJVWRLM-NIYFSFCBSA-N 453.487 4.789 50 10 JJGE FC(F)(F)[C@@H]1CN(Cc2cc(I)ccc2Cl)C[C@H]1CBr 2380508716 IFBPZHPMXOUYBC-MWLCHTKSSA-N 482.509 4.950 50 10 JJGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)c1ccccc1OCCc1ccccc1 10509291 VQPKIDYEQNJHBV-UHFFFAOYSA-N 466.537 4.815 50 10 JJGE Cn1cnnc1SCc1ccc(C(=O)N/N=C2\C[C@@H](c3ccccc3)Oc3ccccc32)cc1 12604438 HMFBRAQEEDTNIL-IRVFAMIHSA-N 469.570 4.765 50 10 JJGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)o1 38659332 HFQOZBRQNBKWMV-HSZRJFAPSA-N 450.878 4.752 50 10 JJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)cc1OCC 38683866 GHNMBNIKGQYJKK-DEOSSOPVSA-N 460.486 4.904 50 10 JJGE Nc1c(NNC(=O)c2ccc(Cl)cc2)ncnc1N(Cc1ccccc1)Cc1ccccc1 40709594 CEQRDSDQFKJBDH-UHFFFAOYSA-N 458.953 4.676 50 10 JJGE O=C(NNC(=O)c1ccnc(Cl)c1)c1ccc(CSc2nc3ccccc3s2)cc1 45811326 ADSZBIHZASRLKX-UHFFFAOYSA-N 454.964 4.712 50 10 JJGE O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 97729870 CZSCQLKMPOACDZ-BHGWPJFGSA-N 473.272 4.623 50 10 JJGE O=C(N/N=C/c1cc(Cl)cc(Br)c1O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 97729911 LSIZHEURGPINFO-OPEKNORGSA-N 490.716 4.963 50 10 JJGE Cc1cc(OCC(=O)NN2C(=O)[C@H](Cl)[C@@H]2c2ccccc2Cl)nc2cc(Cl)c(F)cc12 98065011 XCJLRNLPCFOKRN-UXHICEINSA-N 482.726 4.590 50 10 JJGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2cccc(C)c2)c(OC)c1 207143376 OKNNNXVHAZLONS-PGMHBOJBSA-N 450.535 4.592 50 10 JJGE O=C(CNc1cccc2ccccc12)NN=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 254395109 JVVVEZWTGPDRHS-UHFFFAOYSA-N 468.469 4.529 50 10 JJGE CC(=NNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1cccc(NS(C)(=O)=O)c1 254757863 ANWMNFKCGFKFDB-UHFFFAOYSA-N 472.570 4.736 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(Cl)nc2)C1 382721713 NSSHRMYNKDEEOE-CVEARBPZSA-N 456.711 4.522 50 10 JJGE Fc1cc2c(cc1I)nc(CCl)n2[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 398458950 RDXGKFANOFEETR-IKDJWVMYSA-N 481.740 4.822 50 10 JJGE Cc1ccc(NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1C 853446952 HZQRMMQBCOMVET-INKLHFNDSA-N 467.529 4.558 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)c(-c2ccccc2)n1 914456830 CFHRTNPAEFUWCD-LGMDPLHJSA-N 493.308 4.614 50 10 JJGE NNC(=O)/C=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 1084024349 BPQBZLZLCMANKN-RQOWECAXSA-N 450.547 4.991 50 10 JJGE COc1cc(C=NNC(=O)Nc2cccc(Cl)c2)ccc1OCc1cccc(C(=O)O)c1 1084162221 NTRCOYZSGAULMV-UHFFFAOYSA-N 453.882 4.781 50 10 JJGE Cc1cc(C=NNC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1084628225 FEXGKWJPAKQHQR-UHFFFAOYSA-N 486.937 4.596 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc1OCC 1865689272 OFZLXQXPUNYIBL-KRWDZBQOSA-N 450.461 4.573 50 10 JJGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1 1866215153 DWPORRJRIQCWON-KJCUYJGMSA-N 481.618 4.569 50 10 JJGE CC1CC(CBr)(N(C)C(=O)c2scc(Br)c2Br)C1 2046087321 HCZCMFJADVFHDX-UHFFFAOYSA-N 460.029 4.909 50 10 JJGE O=S1(=O)C[C@H]2C([C@H](Br)c3c(Br)sc(Br)c3Cl)[C@@H]2C1 2054217525 JDCNYNYXKNNCKD-FXFZYULNSA-N 499.471 4.653 50 10 JJGE CCn1nccc1COc1c(Br)cc(CBr)cc1Br 2094279459 AWELOWULLOJAKN-UHFFFAOYSA-N 452.972 4.902 50 10 JJGE CC1(C)C[C@@H](CBr)N(C(=O)c2cc(Cl)ccc2I)C1 2094753082 XZSXKMCQAWGYNS-JTQLQIEISA-N 456.549 4.580 50 10 JJGE CC1(C)[C@@H](Cl)CC[C@H]1NC(=O)c1cc(I)ccc1Br 2142128044 XQZMSFLNUTWWLA-NWDGAFQWSA-N 456.549 4.580 50 10 JJGE O=C(NC1(CCl)CCCCC1)c1ccc(Br)cc1I 2142285473 PWTWRSPIOXETOV-UHFFFAOYSA-N 456.549 4.725 50 10 JJGE CCCN1CCC[C@@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2)S1(=O)=O 2145782384 UPVURFLZBJSARY-LEWJYISDSA-N 452.414 4.906 50 10 JJGE FC(F)OC1CC(CO[C@H](CI)c2cccc(Br)c2)C1 2238472409 JZKCFYVRKZMFIW-UTVJUBTNSA-N 461.084 4.960 50 10 JJGE Cc1ccc(I)c(C(=O)N(C)C[C@@H](Br)C2CCCC2)c1 2240921362 BAOFTJCNNBCCEE-CQSZACIVSA-N 450.158 4.625 50 10 JJGE CN(c1ncc(I)cc1Br)[C@H](CCl)Cc1ccccc1 2296340207 ZPESLCOSJQNLPJ-ZDUSSCGKSA-N 465.560 4.735 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCc1cccc(Cl)c1 2314810466 AUXPHWLTSWXJHN-UHFFFAOYSA-N 464.905 4.703 50 10 JJGE CC(C)[C@@H]1C[C@@H](Br)CN1C(=O)c1csc(Br)c1Br 2321384801 RSEIGAYVDZQJLO-APPZFPTMSA-N 460.029 4.907 50 10 JJGE BrCc1ccc(OCc2ccc(I)c(Br)c2)cn1 2325188382 GCFBLZXDBSCZDX-UHFFFAOYSA-N 482.941 4.923 50 10 JJGE CC(C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)N1C(=O)c2ccccc2C1=O 2331281198 RTBXEKOAKLCAQI-FQEVSTJZSA-N 474.498 4.832 50 10 JJGE FC(F)(CBr)C(F)(F)CNCc1cc(Cl)ccc1I 2336534335 NRCJTCYKCQVKBK-UHFFFAOYSA-N 474.461 4.700 50 10 JJGE Cc1sc(Br)c(C(=O)NCC(F)(F)C(F)(F)CI)c1C 2361670360 QFPMFIADGWYHIH-UHFFFAOYSA-N 488.082 4.563 50 10 JJGE C[C@@H](Br)CCCc1cn(Cc2cc(I)ccc2Cl)nn1 2380458502 VGMAXXYLQZMXAS-SNVBAGLBSA-N 468.564 4.691 50 10 JJGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C)c(C)c3)ccc21 38650057 WTJFFUVCTKKLNE-AREMUKBSSA-N 456.498 4.515 50 10 JJGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1 38682351 RNLIILWDIQZAQC-VWLOTQADSA-N 458.539 4.920 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)cc1 38685913 RGVBRFAUDWYMCM-HHHXNRCGSA-N 470.525 4.850 50 10 JJGE CCOc1c(/C=N/NC(=O)CCCOc2ccc(CC)cc2Br)cccc1OC 40959441 XGIOAENHBDPCEF-BUVRLJJBSA-N 463.372 4.728 50 10 JJGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCC 59680266 YFDKTYJYLFWFMW-WSDLNYQXSA-N 478.286 4.599 50 10 JJGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242002 PEIWYCRQAFRQJU-YDYXIROLSA-N 457.555 4.585 50 10 JJGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCCCS2(=O)=O)cc1Br 169106366 CMVNRMWFCPURSH-CHWSQXEVSA-N 475.040 4.923 50 10 JJGE CC(C)(C)[C@H](CCCl)NC(=O)c1cc(Br)ccc1I 231145791 HNCACJHFVVSNFJ-LBPRGKRZSA-N 458.565 4.827 50 10 JJGE O=C(NC[C@@H]1CCCC[C@@H]1CCl)c1cc(Br)ccc1I 236014885 AOABWIFFBDDANJ-MNOVXSKESA-N 470.576 4.829 50 10 JJGE CC[C@H](Br)[C@H](CC)NS(=O)(=O)c1cc(Br)c(C)cc1Br 313116398 OKHQMFLHACCXRH-CABZTGNLSA-N 492.071 4.750 50 10 JJGE BrCc1cc(Br)c(OCOC2CCOCC2)c(Br)c1 382425356 JUUGZEDRWGNEED-UHFFFAOYSA-N 458.972 4.638 50 10 JJGE C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1cc(CCl)sc1Br 382644680 IKDDBMYSDIKSTP-AWEZNQCLSA-N 477.877 4.535 50 10 JJGE O=C(N[C@H](CBr)CC(F)(F)F)c1cc(Br)sc1Br 717845281 WEJTVRHHGAPZIQ-BYPYZUCNSA-N 473.934 4.719 50 10 JJGE ClCc1nc2cc(I)ccc2n1Cc1cnc(Br)s1 718865737 LVLVJCVINAHLGG-UHFFFAOYSA-N 468.545 4.647 50 10 JJGE CC(=O)N1CC[C@@H](NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3)c2C)c2ccccc21 1356404782 YCVKHZCQGNZPKA-HZHYMEEXSA-N 452.558 4.924 50 10 JJGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749450 LQDKHGYCZFPHAB-UHFFFAOYSA-N 451.910 4.729 50 10 JJGE COc1cc(C=NNC(=O)COc2cccc(C)c2)cc(Br)c1OCc1ccccc1 1772753877 DAEVLZISXIORBC-UHFFFAOYSA-N 483.362 4.874 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865708332 UHMNCCQHXYMQTL-HSZRJFAPSA-N 468.488 4.670 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865708632 ZRCRDSSOKPXQAO-JOCHJYFZSA-N 482.943 4.912 50 10 JJGE COc1cccc(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)c1 1865759109 ITMHECNGNQQMTE-IZZDOVSWSA-N 456.329 4.847 50 10 JJGE COc1cc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCc1cccc(Cl)c1 1873793200 BTIFZYQAYYQIKD-IYAOEYEUSA-N 487.984 4.777 50 10 JJGE CC1(C)[C@H](Br)CCCN1C(=O)c1cc(Br)cc(Br)c1 1887815109 OKDOKSMYIHBNJL-GFCCVEGCSA-N 454.000 4.990 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CC[C@H](C(F)(F)CBr)C1 1892715329 OEPHSFDCWWNMJG-LURJTMIESA-N 481.982 4.765 50 10 JJGE O=C(NCC[C@H]1CCC[C@H]1Br)c1cc(Cl)ccc1I 1913720884 JBJVDVXECJGHDH-BXKDBHETSA-N 456.549 4.628 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC1CCC(CNC(=O)OC(C)(C)C)CC1 1985346841 IUDKFLSHARBUFU-UHFFFAOYSA-N 463.710 4.566 50 10 JJGE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NCCSSCCNC(=O)OC(C)(C)C 1985350753 VNJYQQDBCGQJID-IAGOWNOFSA-N 463.710 4.518 50 10 JJGE O=C(N[C@H](CBr)c1cscn1)c1cc(Br)c(Br)s1 2055479202 JWFBCJOCDHXMJJ-ZCFIWIBFSA-N 475.025 4.596 50 10 JJGE O=C(N[C@H]1CCC[C@H]1CCBr)c1ccc(Br)cc1Br 2090572638 OWHDUMCZFAIZRS-ZANVPECISA-N 454.000 4.895 50 10 JJGE O=C(c1csc(Br)c1Br)N1CC[C@@H](Br)C(F)(F)CC1 2093942403 REEFDJIOQBQFNK-SSDOTTSWSA-N 481.982 4.908 50 10 JJGE Cn1cc(Br)c(CC(CBr)(CBr)Cc2ccccc2)n1 2143636236 XYGHAZXWBYEIKY-UHFFFAOYSA-N 465.027 4.744 50 10 JJGE CC(C)(C)[C@@H]1C[C@@H](CBr)CN(C(=O)c2csc(I)c2)C1 2165001079 KBKMLXHMZOCYKZ-CMPLNLGQSA-N 470.214 4.872 50 10 JJGE O=C(NC[C@]12CCC[C@@]1(CBr)C2)c1cc(Br)cc(Br)c1 2208039796 NFBZBUKUAGTXTF-LSDHHAIUSA-N 466.011 4.897 50 10 JJGE CC(C)(C)OC(=O)N1CC([C@@H]2CCCCN(CCCCCI)C2)C1 2214697513 QWQYKZVWNHXKNS-MRXNPFEDSA-N 450.405 4.561 50 10 JJGE Cc1csc(CBr)c1S(=O)(=O)N1CCN(Cc2ccccc2)CCC1(C)C 2239859058 SOBUOLMOCRLIOV-UHFFFAOYSA-N 471.486 4.627 50 10 JJGE CC1CC(CBr)(CN2CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C2)C1 2280056833 LRGODRHDTUBPRG-DGSCNEQVSA-N 457.375 4.823 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2283653805 KBSOJMRSWPGPBT-UDZFHETQSA-N 468.560 4.723 50 10 JJGE C[C@@]1(CBr)CC(F)(F)CN1C(=O)c1ccc(Cl)c(I)c1 2283664247 QAQNGXIWJNFSDN-LBPRGKRZSA-N 478.502 4.579 50 10 JJGE N#CC(=Cc1cn(Cc2ccccc2F)c2ccc(Br)cc12)C(=O)NC[C@H]1CCCO1 2313624398 RMNFKBJGPPCGDW-HXUWFJFHSA-N 482.353 4.793 50 10 JJGE CCCOc1ccccc1C=C(C#N)C(=O)Oc1ccc(N2C(=O)c3ccccc3C2=O)cc1 2314773875 HKJRVOZPXLBMPZ-UHFFFAOYSA-N 452.466 4.789 50 10 JJGE ClC[C@H](NCc1ccc(I)c(Br)c1)c1cscn1 2325228128 BJMADXGDJBOXHO-NSHDSACASA-N 457.562 4.580 50 10 JJGE CCOC(=O)c1cnn(-c2cccc(Cl)c2)c1NC(=O)C(C#N)=Cc1ccc(Cl)cc1 2329654501 VIHRNWVEWHMWHQ-UHFFFAOYSA-N 455.301 4.901 50 10 JJGE FC(F)(CBr)C(F)(F)CNCc1ccc(Br)cc1Br 2336539986 XSDPZQLCCRJJJF-UHFFFAOYSA-N 471.912 4.967 50 10 JJGE CN(CC[C@@H](Br)c1cccs1)S(=O)(=O)c1ccc(Br)s1 2366236724 HDHPPVHCSMSSHK-SECBINFHSA-N 459.250 4.719 50 10 JJGE Cn1ncc(I)c1-n1c(CCl)nc2cc(Cl)c(Br)cc21 2381868174 NLZPOVSTFPQPQO-UHFFFAOYSA-N 485.938 4.518 50 10 JJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)C)cc1 9231637 GPKMSXJYYPADAU-INIZCTEOSA-N 477.399 4.691 50 10 JJGE CC(C)c1ccc(OCC(=O)NNC(=O)C(c2ccccc2)c2ccccc2)c(Br)c1 12580412 GKVLQXWRKYSJQN-UHFFFAOYSA-N 481.390 4.931 50 10 JJGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1 16739783 DPDFERHLSVFSES-SCIJIFGBSA-N 477.973 4.984 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1OC 38658580 DXBOOJQMXBDYLE-HHHXNRCGSA-N 486.524 4.523 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1ccccc1Br 38678613 XGVNYNDBFXAFGI-OAQYLSRUSA-N 492.285 4.795 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@H]1c1cccc(Cl)c1 38687676 VPKMQRGRCJWEFC-HSZRJFAPSA-N 470.868 4.884 50 10 JJGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)c1 38701247 FMIBUKOZAQFXGC-SXOMAYOGSA-N 498.535 4.829 50 10 JJGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(C)c1 39993127 DPVWYPJDACINJY-NBVRZTHBSA-N 454.461 4.788 50 10 JJGE Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)[C@H](C)c3ccc(CC(C)C)cc3)c3ccccc32)cc1 59165917 KNZHEYXCMHZSMD-YVDYGONBSA-N 496.611 4.803 50 10 JJGE O=C1[C@@H](Br)CCCN1c1c(Br)cc(Br)cc1Br 70494548 KGAHTDPYUAXJAI-ZETCQYMHSA-N 490.815 4.864 50 10 JJGE COc1ccc(/C=N/NC(=O)c2ccccc2OCc2cccc(Br)c2)cc1OC 96095906 NMBCJJIWNSMAMY-AFUMVMLFSA-N 469.335 4.809 50 10 JJGE O=C(NC[C@@H]1CCCC[C@@H]1Br)c1cc(Br)c(Br)s1 123234446 NMCHYGIGTFNPGO-YUMQZZPRSA-N 460.029 4.957 50 10 JJGE COc1cc(/C=N\NC(=O)c2ccccc2Cl)cc([N+](=O)[O-])c1OCc1ccccc1C 169886075 UJFANBVDCMLKAU-MXAYSNPKSA-N 453.882 4.908 50 10 JJGE CC(CC(=O)Nc1c(C)cc(C)cc1C)=NNC(=O)COc1ccc(C)cc1Br 252620064 LWYPLMQXAGMGGH-UHFFFAOYSA-N 460.372 4.582 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CCCC[C@@H](CCl)C1 721621834 QWHOUFKUKFYPEL-JTQLQIEISA-N 456.549 4.535 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)c(-c2ccccc2)n1 920297058 GHQNIGWOHUGCIP-MXNFUBLBSA-N 465.557 4.655 50 10 JJGE C#CCOc1ccc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1Br 1084198019 SWHRYISYMFJZOX-UHFFFAOYSA-N 476.124 4.734 50 10 JJGE Cc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1cccc(Br)c1 1084415646 XPSYHNZCZWAOTF-QFIPXVFZSA-N 454.368 4.821 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(C)cc1 1084583802 QVXATAKUCJNEJK-VCHYOVAHSA-N 490.341 4.573 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](c2ccc([N+](=O)[O-])cc2Cl)[C@@H](CI)C1 1614635987 MZHBXZWEZREQPJ-GWCFXTLKSA-N 466.703 4.634 50 10 JJGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2)CCC3)cc1 1772743482 CKACWLSOAAOCRH-UHFFFAOYSA-N 479.920 4.751 50 10 JJGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(Cl)c2)CCC3)cc1 1772745614 CYRRWSNBOQFTPD-UHFFFAOYSA-N 451.910 4.973 50 10 JJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)cc1OCC 1865691558 VMAZFOROVRXUOZ-DEOSSOPVSA-N 458.562 4.899 50 10 JJGE COc1cc(/C=C(\C#N)c2nc3cc(C)ccc3n2C)ccc1OCC(=O)Nc1ccccc1 1872728024 KMUGVEWVPFWCAI-XSFVSMFZSA-N 452.514 4.972 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3)n2)c(OC)c1OC 1872759280 JLAKGZUUOHLJQB-VLGSPTGOSA-N 485.949 4.712 50 10 JJGE C[C@H]1CC[C@@](CBr)(NC(=O)c2ccc(Br)cc2Br)C1 1880938536 IZVQPHFKNRFWPI-LKFCYVNXSA-N 454.000 4.895 50 10 JJGE CC1(C)C[C@H](Br)CN(C(=O)c2csc(Br)c2Br)C1 1923163034 ZTEDKPZZAUQKHO-ZETCQYMHSA-N 460.029 4.909 50 10 JJGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1NCCSSCCNC(=O)OC(C)(C)C 1985347252 PNLGVRIOYJEYKI-KXTWHKPSSA-N 453.718 4.639 50 10 JJGE Cc1sc(Br)c([C@@H](Br)c2cnn(C)c2I)c1C 2024028437 LWGFLOOQIZVIEG-VIFPVBQESA-N 490.002 4.950 50 10 JJGE C[C@@](CBr)(NC(=O)c1csc(Br)c1Br)C(F)(F)F 2043177735 XIPXMLXYILWTME-QMMMGPOBSA-N 473.934 4.719 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CCC2(CC1)C[C@H]2CBr 2092482448 VLUTULXECUSBLH-QMMMGPOBSA-N 472.040 4.910 50 10 JJGE C[C@H]1C[C@H](Cl)[C@H](C)CN1C(=O)c1ccc(I)c(Br)c1 2093104399 JOAFPEPBIUVLPD-PTRXPTGYSA-N 456.549 4.532 50 10 JJGE CC1(C)[C@H](CBr)OCCN1Cc1cccc(Br)c1Br 2103391505 DKJOXMRDKYVVEP-LBPRGKRZSA-N 456.016 4.586 50 10 JJGE COc1ccc(Br)cc1[C@H](Br)c1c(Br)nn(C)c1C 2131589317 DFXADOFOXWEJFX-LBPRGKRZSA-N 452.972 4.746 50 10 JJGE C[C@H]1CCC[C@@](CBr)(NC(=O)c2cc(I)ccc2F)C1 2169665797 XDCVSOCOGMVWQM-ZUZCIYMTSA-N 454.121 4.504 50 10 JJGE O=S1(=O)C[C@@H]2CCC[C@]2([C@H](Br)c2cc(Br)ccc2Br)C1 2201883029 QZKLFPQCZZPQPJ-FZZIBODNSA-N 487.051 4.863 50 10 JJGE CCN(C(=O)c1c(Br)cccc1Br)[C@@H]1CCC[C@H]1Br 2224422274 YDDHZQIXBKPTHV-BXKDBHETSA-N 454.000 4.990 50 10 JJGE O=C(c1cc(Br)c(O)cc1O)N(Cc1ccccc1)C1(CBr)CCC1 2256018013 JWQXTCWBBVGCSD-UHFFFAOYSA-N 469.173 4.820 50 10 JJGE CN(Cc1cccc(I)c1)c1ncc(CCl)cc1Br 2265537199 OJPTZAOUGLUGKM-UHFFFAOYSA-N 451.533 4.824 50 10 JJGE C[C@]1(CBr)CCCN1C(=O)Cc1cc(Br)cc(Br)c1 2277915686 DTCDIJIGNUCJON-CQSZACIVSA-N 454.000 4.530 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2C[C@H]1CC[C@H]2Br 2295310456 XDUNKIGGIFXLSR-LERXQTSPSA-N 466.011 4.529 50 10 JJGE C[C@H](Cl)COCc1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2295837939 RWOATOULNCAWIC-ZETCQYMHSA-N 488.405 4.699 50 10 JJGE Brc1cc(CN2C[C@H](Br)[C@H](C3CC3)C2)ccc1I 2325207916 SKLUJHWZDQZOBL-AAEUAGOBSA-N 485.001 4.659 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccc(C)cc2)cc1 2328796424 SUCJEBKORGSENN-CVDCTZTESA-N 453.583 4.964 50 10 JJGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1c(Br)cccc1Br 2330900411 IBIHKJPAWVHWNC-RJVLYZLMSA-N 451.984 4.503 50 10 JJGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCN4CCOCC4)c(OC)c3)n2)cc1F 2331454064 RGHCNPQMHZWJET-UHFFFAOYSA-N 495.576 4.742 50 10 JJGE N#C/C(=C\c1sc(N2CCOCC2)nc1-c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 3307668 CNXMBIASHBNJGM-XMHGGMMESA-N 471.991 4.638 50 10 JJGE C/C(=C\C#N)N1C(=O)c2ccc(C(=O)Nc3ccc(-c4nc5ccc(C)cc5[nH]4)cc3)cc2C1=O 21142058 BWIHTVNLLBGFJR-LFIBNONCSA-N 461.481 4.814 50 10 JJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1 38650611 LSMKWOGIUMWINQ-AREMUKBSSA-N 456.498 4.678 50 10 JJGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])cc1 38655020 QAFCWUXDMIFYBB-DEOSSOPVSA-N 471.469 4.821 50 10 JJGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)c1 38684507 JVIVRXLRUYJFOC-RUZDIDTESA-N 454.482 4.697 50 10 JJGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813057 CKJFJYLDEYGDRF-NLRVBDNBSA-N 466.881 4.872 50 10 JJGE CCCC(=O)N1CCN(C(=O)/C(C#N)=C2/SC=C(c3ccccc3)N2c2ccc(F)cc2)CC1 97637496 IFBNNTVHZWFEEZ-XTCLZLMSSA-N 476.577 4.584 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 101339783 VSJCGXKTXYTEHA-ZMOGYAJESA-N 478.504 4.787 50 10 JJGE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC/C2=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 138781592 WMVYBBWDFRHJPT-GGBUZDNBSA-N 478.505 4.851 50 10 JJGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O[Si](C)(C)C(C)(C)C 195955128 LUWQMPCKYNDDGB-USXIJHARSA-N 491.728 4.770 50 10 JJGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)cc1 254294673 RFRQAHRELMETGX-UHFFFAOYSA-N 487.585 4.584 50 10 JJGE C[C@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)NN=Cc1cccnc1 254736552 DJVJSOIZXKWSQO-KRWDZBQOSA-N 492.008 4.559 50 10 JJGE CC[C@H](Br)[C@H](CC)NC(=O)c1cc(I)ccc1Br 313074999 AXJSECKJERYMJR-JQWIXIFHSA-N 488.989 4.736 50 10 JJGE CC(C)[C@](C)(CBr)NC(=O)c1cc(I)ccc1Br 398560481 LZLLMVYINZIYNX-ZDUSSCGKSA-N 488.989 4.593 50 10 JJGE C[C@@H]1[C@@H](Cl)C[C@H]2CC[C@H]1N2C(=O)c1cc(Br)ccc1I 686175489 GIBHVDFTEXNEFT-QLXFMQRKSA-N 468.560 4.674 50 10 JJGE C[C@@H](Cl)C[C@@H]1CCCN1C(=O)c1ccc(I)c(Br)c1 721625713 ZLNNSWYZGUCXKN-KOLCDFICSA-N 456.549 4.676 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)N2CCC(C(=O)NC3CCCCC3)CC2)c(C)n1-c1ccc(F)cc1 743710963 CSNBZNGTQOFWCT-HAVVHWLPSA-N 476.596 4.828 50 10 JJGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1 1084586671 JAKSGBSUQMCDEA-HSZRJFAPSA-N 467.363 4.992 50 10 JJGE COc1cc(C=NNC(=O)c2ccc(Br)cc2)c([N+](=O)[O-])cc1OCc1ccccc1 1337084373 LFRUPVQGOODABC-UHFFFAOYSA-N 484.306 4.709 50 10 JJGE CCN(CC)c1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)c(O)c1 1614706162 USNKWRPKYPOUCZ-WMLDXEAASA-N 474.383 4.624 50 10 JJGE COc1cc(C=NNC(=O)COc2ccc(Cl)c(C)c2)ccc1OCCc1ccccc1 1772753768 IBDCHPLKKVGSDE-UHFFFAOYSA-N 452.938 4.808 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1865680252 DVWVWRJNGVQFNZ-OAHLLOKOSA-N 483.233 4.827 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)c1O 1865683474 FMRLTFJQQJYUPQ-JOCHJYFZSA-N 468.488 4.670 50 10 JJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OC)cc1)C(C#N)=C(N)O2 1865714469 LHEYDRJXYQHUIG-HXUWFJFHSA-N 465.351 4.814 50 10 JJGE Cn1cc(Cl)c([C@H](Br)c2sc(Cl)cc2I)n1 1900924108 HEPFBDKFABEQSN-ZETCQYMHSA-N 451.942 4.877 50 10 JJGE COC(CBr)(CBr)Cc1ccc(Cl)cc1I 1901960449 RDZCVUPLXNZRMS-UHFFFAOYSA-N 482.381 4.662 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)CCc1cc(Br)ccc1F 1905342483 JMWCMVILMYQDKG-ZDUSSCGKSA-N 455.121 4.581 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@@H](CBr)C2(CCC2)C1 1914496861 IZCSHHHZNQWCFT-MRVPVSSYSA-N 472.040 4.910 50 10 JJGE O=C(N[C@H]1CCC[C@H](CBr)C1)c1csc(Br)c1Br 2032953062 BRKALASDCDWFCQ-YUMQZZPRSA-N 460.029 4.957 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H]2C[C@H]1CC[C@@H]2Br 2032958690 KEQXRXOEYUETAI-BHNWBGBOSA-N 458.013 4.661 50 10 JJGE O=C(Nc1cc(Br)ccc1I)[C@@H](Br)C1CCCC1 2048139119 HELTXXQEZNOPMG-LBPRGKRZSA-N 486.973 4.946 50 10 JJGE CC(F)(F)C[C@@H](CBr)NC(=O)c1cc(Br)sc1Br 2050370293 WEDNXBNZIZSWBP-YFKPBYRVSA-N 469.971 4.812 50 10 JJGE Fc1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)c(F)c1F 2079258445 ITBHHKPRZWPSCP-UHFFFAOYSA-N 484.963 4.808 50 10 JJGE CC[C@@H](Br)CN(CC)C(=O)c1ccc(Br)cc1I 2086149391 NJOXWSOSUHGVHD-SECBINFHSA-N 488.989 4.689 50 10 JJGE O=C(c1csc(Br)c1Br)N1CC[C@@H](CBr)C(F)(F)C1 2093947840 IYMCUMNEBPDUSP-LURJTMIESA-N 481.982 4.765 50 10 JJGE CC1(CBr)CCN(C(=O)c2c(Br)cccc2Br)CC1 2094092319 DOCZKSWINVQJKC-UHFFFAOYSA-N 454.000 4.849 50 10 JJGE CCCN1CCC[C@@H]([C@@H](Br)c2cscc2OCc2ccccc2)S1(=O)=O 2100080655 XDEIQJXCCIYAJA-OALUTQOASA-N 458.443 4.967 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CCC(F)(CBr)CC1 2101307728 FZLAMJFLENHFJS-UHFFFAOYSA-N 457.963 4.551 50 10 JJGE Cc1cc(Br)cc(CBr)c1OCc1cnn(C)c1Br 2116621842 UARRHERBKLJTOI-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCCC[C@H](Br)C1 2169219249 UUXQFUBBZQUKBV-QMMMGPOBSA-N 466.022 4.694 50 10 JJGE CN(Cc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cc(CBr)ccc2Cl)C1 2179789701 UPEMLIARMCVYCC-SFHVURJKSA-N 471.848 4.520 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CC[C@@]2(CCC[C@@H]2Cl)C1 2207266688 GUYDGJJKMFBMMV-ZFWWWQNUSA-N 468.560 4.677 50 10 JJGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1nn(C)nc1Br 2295265164 NTWMLJGNQGGSFX-VIFPVBQESA-N 488.405 4.795 50 10 JJGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(Br)c(F)c1 2303548597 GOGYERWRIDQJIU-HNNXBMFYSA-N 459.153 4.688 50 10 JJGE CCCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccccc2)cc1OC 2313518519 HOHXCXQRPPSPAI-UHFFFAOYSA-N 462.287 4.634 50 10 JJGE Cc1cccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(C)c(C)c3)C2=O)c1 2314594157 ZYSCKQQRDYRICS-XMMPIXPASA-N 471.582 4.948 50 10 JJGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 2314610010 BUWXDJBMLBPXFW-UHFFFAOYSA-N 481.512 4.696 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)c(OC)c1OC 2331413636 HAEYDZZZVWPBDJ-UHFFFAOYSA-N 482.518 4.760 50 10 JJGE CN(C[C@H]1CCC[C@H]1Br)C(=O)c1ccc(Cl)cc1I 2340062369 YYPAZXXHOPMSHH-BXKDBHETSA-N 456.549 4.580 50 10 JJGE Cn1cc(I)c(C[C@@H](CBr)Cc2cccc(Br)c2)n1 2341763221 RPMPZZUFZYPLQW-NSHDSACASA-N 498.000 4.584 50 10 JJGE Cl[C@H]1C[C@H]2CC[C@H]1[C@H](NCc1ccc(I)c(Br)c1)C2 2349831700 NTMZUOABJCOTAV-ZOUAZZMLSA-N 454.577 4.939 50 10 JJGE FC1(F)CN(Cc2ccc(I)c(Br)c2)CC[C@H]1CCl 2349833805 JABGHSQXZAJZGI-JTQLQIEISA-N 464.519 4.750 50 10 JJGE C[C@@]1(CCl)CC(F)(F)CN1Cc1ccc(I)c(Br)c1 2349842331 XIAMBSBUWWAHKW-LBPRGKRZSA-N 464.519 4.892 50 10 JJGE C/C(=N\NC(=O)c1nn(Cc2ccc(Br)cc2)cc1Br)c1ccc(C)cc1 33303643 JOTKRWQAJYPISD-OEAKJJBVSA-N 490.199 4.919 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)Nc2nccs2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 33678726 BUDOYTUNTNSAND-ODLFYWEKSA-N 476.558 4.640 50 10 JJGE N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1nn(CCO)c(N)c1C#N 34736354 TXZCPOVGLOTREX-SXGWCWSVSA-N 477.355 4.703 50 10 JJGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OC)c1 38650242 GGFAKKKGNNRKIL-VWLOTQADSA-N 456.498 4.921 50 10 JJGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1 40884571 SRSIATLZKZBTPV-QZZJTICTSA-N 472.497 4.529 50 10 JJGE O=C(N/N=C(/CSc1nc2ccccc2[nH]1)c1ccc(Br)cc1)c1cccnc1 59460735 ZPULHQXVFQRIFU-XHPQRKPJSA-N 466.364 4.647 50 10 JJGE CC1CCC(NC(=O)[C@@H](c2ccc(F)cc2)N(Cc2ccc3c(c2)OCO3)C(=O)CCl)CC1 97914701 LLPCWARLBUSGNI-XWKHCGOCSA-N 474.960 4.558 50 10 JJGE CCN(CC)c1ccc(/C=N\NC(=O)c2ccc3[nH]c(Cc4ccc(OC)cc4)nc3c2)cc1 169925525 WYKIVNBRQLAPNE-VEILYXNESA-N 455.562 4.772 50 10 JJGE CCCOc1ccccc1/C=C/C(=O)Oc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1 206964010 VFTPXIITWSZOHF-YBWPQXGXSA-N 456.498 4.911 50 10 JJGE N#C/C(=C/Nc1cc(F)ccc1F)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216508318 PWWAOBMQXPYTKI-QOCHGBHMSA-N 458.512 4.718 50 10 JJGE C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cccc(/C=C(/C#N)C(=O)N[C@H]2CCCC[C@H]2C)c1 242273674 YEXSDQJWSVTYMB-RXJAJXMTSA-N 458.606 4.890 50 10 JJGE CCOc1cc(C=NNC(=O)COc2cc(C)cc(C)c2)ccc1OC(=O)c1ccc(F)cc1 254304347 YUYJIIRJIBBLBE-UHFFFAOYSA-N 464.493 4.590 50 10 JJGE C[C@@H]1O[C@H](C)[C@H]([C@H](Br)c2cc(I)cc3c2OCC3)[C@@H]1C 312371125 PSVJGITXVSKPCP-OQMGSFEQSA-N 451.142 4.722 50 10 JJGE Fc1cc2c(cc1I)nc(CCCl)n2CCOCc1ccccc1 389948925 QPZBDQKQXWJXMN-UHFFFAOYSA-N 458.702 4.778 50 10 JJGE CC[C@H](c1ccc(OC)cc1)[C@@H](c1ccc(OC)cc1)N(/N=C/c1ccccc1[N+](=O)[O-])C(=O)CN 585668971 HMNHULGZHRREIY-AFZFEDSBSA-N 490.560 4.668 50 10 JJGE COc1ccccc1N1CCN(C(=O)Nc2cccc(C(=O)Nc3ccc(SC#N)cc3)c2)CC1 586665160 MIVXIPHYUPHQNP-UHFFFAOYSA-N 487.585 4.875 50 10 JJGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1ccc(I)c(Cl)c1 686180175 RLZJGCXJGQMOGI-WQURNTSKSA-N 468.560 4.721 50 10 JJGE CN(C)[C@@H](CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)c1ccsc1 914505758 HAMQYKFDLMVOAA-LPRAYXGFSA-N 479.009 4.505 50 10 JJGE CC(=O)Oc1ccc(C=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 1083994857 DAEXFYMVQPOILN-UHFFFAOYSA-N 469.585 4.831 50 10 JJGE COc1c(C)cccc1C(=O)NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 1084079214 IVCHOLFKHPCFIU-UHFFFAOYSA-N 468.340 4.991 50 10 JJGE Cc1ccc(C)c(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)c1 1084152633 BASQWNOVNCIUPJ-UHFFFAOYSA-N 467.367 4.562 50 10 JJGE Cc1cc(C=NNC(=O)COc2ccc(Cl)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1084174145 NKKGIFUFUREOQY-UHFFFAOYSA-N 460.317 4.628 50 10 JJGE O=[N+]([O-])c1cc([C@H]2CN(Cc3ccccc3)C[C@@H]2CBr)ccc1Br 1614624261 SPKSIIQMWVHSSH-JKSUJKDBSA-N 454.162 4.968 50 10 JJGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(OCC)c1)C(C#N)=C(N)O2 1865681857 YQMAIHHDGSXYHW-QFIPXVFZSA-N 464.953 4.860 50 10 JJGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865698190 MTCAPBVHSDMQKN-NRFANRHFSA-N 483.355 4.790 50 10 JJGE CC[C@](C)(NC(=O)[C@@H](Cc1ccncc1)c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866707909 SIHZVCQKHZTXQF-OZXSUGGESA-N 458.587 4.905 50 10 JJGE CC[C@@H](NC(=O)[C@@H](c1ccc(OC)c(OC)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866994165 FBPOSIDUGIZEPQ-DENIHFKCSA-N 455.580 4.550 50 10 JJGE Cc1ncnc(N(Cc2ccccc2)[C@@H](C)CCBr)c1I 1888807776 NGWAPBRBFPOXEO-LBPRGKRZSA-N 460.157 4.570 50 10 JJGE BrCC(CBr)(CC[C@H]1COCCO1)c1cccc(Br)c1 1916660172 RNCMXIGSECFWRT-AWEZNQCLSA-N 471.027 4.672 50 10 JJGE CC1(C)C[C@@H](Br)CN(C(=O)c2c(Br)cccc2Br)C1 1923153223 OSYMTQZYLVQXGB-SECBINFHSA-N 454.000 4.847 50 10 JJGE CCS(=O)(=O)C[C@H](Br)c1c(Br)sc(Br)c1Cl 1988339850 PXINUFNBMFTGCJ-BYPYZUCNSA-N 475.449 4.797 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@@H](Br)C2(CCC2)C1 2108691381 ADCVJAAGUSPVKU-LLVKDONJSA-N 451.984 4.601 50 10 JJGE COc1ccc([C@@H](Br)c2cc(I)sn2)c(OC)c1Cl 2120033363 SBXXBXCKAJPLHJ-SNVBAGLBSA-N 474.545 4.903 50 10 JJGE CC1(C)CN(C(=O)c2ccc(Br)cc2I)CC[C@@H]1Cl 2142285777 USQVLTRHBWXBOC-LBPRGKRZSA-N 456.549 4.533 50 10 JJGE CC(C)(C)OC(=O)Nc1cccc([S@](C)(=O)=NCC2(CBr)CCOCC2)c1 2163057288 AEKMJMIRRUMNIT-MHZLTWQESA-N 461.422 4.682 50 10 JJGE C[C@H](CCl)[C@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2207271012 FHYBNKJDBHINNR-QMTHXVAHSA-N 470.576 4.923 50 10 JJGE Cc1ccc(C(=O)NC[C@@H]2CCCC[C@H](Br)C2)cc1I 2232828648 SDQNYBLOXNFKRR-OCCSQVGLSA-N 450.158 4.673 50 10 JJGE C[C@H](Cl)c1nc(I)c(Cc2ccccc2)c(I)n1 2258715064 VKTCWZZZCGIYIP-QMMMGPOBSA-N 484.506 4.576 50 10 JJGE CCC(CC)(CBr)CNC(=O)c1ccc(Cl)c(I)c1 2268345903 OSOCVCBKGTYTOQ-UHFFFAOYSA-N 458.565 4.876 50 10 JJGE COc1ccc([C@@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)cc1I 2285011803 RJCCALLXASCREO-DDFXLWFNSA-N 451.142 4.799 50 10 JJGE C[C@]1(CNC(=O)Cc2cc(Br)cc(Br)c2)CCC[C@@H]1Br 2295315051 GXAKCNUDIHHAII-DZGCQCFKSA-N 468.027 4.824 50 10 JJGE COc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)c(Br)c(Br)c1O 2296740108 DCWXWUAOIZYMGK-UHFFFAOYSA-N 454.074 4.898 50 10 JJGE COc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1NC=C(C=O)c1nc2ccccc2o1 2297531973 WEKQBSLGMXVGDI-UHFFFAOYSA-N 463.515 4.598 50 10 JJGE CC(C)(CI)CN1CCC[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 2306809517 KDFIALLKFUFQKM-LJQANCHMSA-N 450.405 4.561 50 10 JJGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(OC)cc1 2314593830 UJXONRWFDVPLAJ-FQEVSTJZSA-N 488.396 4.730 50 10 JJGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccc(N)cc1Cl 2325387747 MRUXPBOPWBJSTD-UHFFFAOYSA-N 471.992 4.675 50 10 JJGE CC(C)(C)OC(=O)NCC[C@@H]1CCN(C[C@@H](CBr)C2CC2)[C@H](C(F)(F)F)C1 2362789920 QETQURZBUCWKFT-BMFZPTHFSA-N 457.375 4.965 50 10 JJGE CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 9873174 PMAXSAKDSSNDSX-RTBURBONSA-N 465.594 4.947 50 10 JJGE Cc1ccc(Nc2nnc(SCC(=O)C(C#N)=C3N(C)c4ccccc4N3C)s2)cc1C 22904366 QVGYDUSOQWJFMA-UHFFFAOYSA-N 462.604 4.881 50 10 JJGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc21 38649943 SHPMAEIZZYTTCV-JOCHJYFZSA-N 477.314 4.895 50 10 JJGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Br)cc1 38651596 ICJOPRNXICCDED-DEOSSOPVSA-N 491.341 4.960 50 10 JJGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C1(CCC2)SCCS1 39852004 DONWSFURORPXND-UHFFFAOYSA-N 487.430 4.704 50 10 JJGE O=C(NNc1ncnc(Nc2cccc3ccccc23)c1[N+](=O)[O-])c1ccc(Br)cc1 40627186 LUIBBHLTBQEWDR-UHFFFAOYSA-N 479.294 4.801 50 10 JJGE COc1cc(OC)c(Nc2ncnc(NNC(=O)c3cccc4ccccc34)c2[N+](=O)[O-])cc1Cl 40658736 KJBFKDZFCPQKRZ-UHFFFAOYSA-N 494.895 4.709 50 10 JJGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816012 CTTMPBJMQMWSBE-VMRBLXROSA-N 489.547 4.944 50 10 JJGE COc1ccc(CN(C(=O)CCl)[C@H](C(=O)NC2CCCCCC2)c2ccc(OC)cc2)cc1 97914994 LTODONMYCSAEAZ-VWLOTQADSA-N 473.013 4.852 50 10 JJGE COc1cc(F)c([C@@H](Br)c2ccccc2I)cc1OC 109885019 FNEZCXWGDPTUOR-HNNXBMFYSA-N 451.073 4.932 50 10 JJGE CCC(CC)(CCl)CNC(=O)c1cc(I)ccc1Br 230239263 BAWXZESJPPXRHP-UHFFFAOYSA-N 458.565 4.829 50 10 JJGE Cc1nn(-c2ccccc2)c(O)c1C(=NNC(=O)Cc1c(C)[nH]c2ccccc12)c1ccccc1 254763169 KMBCRBLSYOGGKY-UHFFFAOYSA-N 463.541 4.787 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CNC(=O)c2cccc(C)c2)cc1 254824453 FAPSLYCOJCRTHH-UHFFFAOYSA-N 495.583 4.517 50 10 JJGE CC(=O)NC12C[C@@H]3C[C@@H](C1)CC(P(=O)(Cl)C14C[C@H]5C[C@H](CC(NC(C)=O)(C5)C1)C4)(C3)C2 257364932 MQUJTPDRZUYPDB-ISXCATHDSA-N 466.990 4.958 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2ccc(Br)nc2)C1 382699008 BVBHNMXDVBYUFN-CVEARBPZSA-N 454.162 4.591 50 10 JJGE Cc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1F 382732937 VMMMZSBETZACJP-ZWKOTPCHSA-N 453.295 4.921 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CCCC[C@H](CBr)C1 696785552 NFTAQUVBLMOWIP-SNVBAGLBSA-N 456.549 4.582 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Br)c(Br)s2)C[C@]1(C)CBr 703736103 QYEHWLWFHYJMIS-KRTXAFLBSA-N 460.029 4.766 50 10 JJGE Cc1cc(C=NNC(=O)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084032449 RMXMKDGPKYNXMG-HNNXBMFYSA-N 457.361 4.728 50 10 JJGE N#CCOc1ccc(Br)cc1C=NNC(=O)c1cc2cc(Br)ccc2o1 1084193385 RDKNQVJLJJSQLY-UHFFFAOYSA-N 477.112 4.624 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](CI)C1 1614630620 SERHMXGJZHOSPF-GWCFXTLKSA-N 466.703 4.634 50 10 JJGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3cccc4ncccc34)c(C)c21 1772746451 UUPDSVHHCOJKQW-UHFFFAOYSA-N 468.513 4.868 50 10 JJGE Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751067 GKHTXBYONRBGFQ-UHFFFAOYSA-N 456.477 4.998 50 10 JJGE Cc1c(C(=O)Nc2ccccc2F)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751333 OGIDLPSSMYOFHX-UHFFFAOYSA-N 456.477 4.998 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1865680822 WQHGEYZIGDRGQP-MRXNPFEDSA-N 497.260 4.886 50 10 JJGE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865695267 AYVZISACIDFOID-SFHVURJKSA-N 457.715 4.520 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)c1OCc1cccc(C)c1 1865705520 XYYSAJVOOAIPPY-RUZDIDTESA-N 479.540 4.690 50 10 JJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)ccc1O 1865706240 RBDSONLQJBFISL-KRWDZBQOSA-N 494.832 4.675 50 10 JJGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)CCC(=O)c1cccs1 1865759908 XUCAWNIFJMEVCX-UHFFFAOYSA-N 462.358 4.849 50 10 JJGE COc1cc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(C(C)(C)C)C3)n2)c(OC)cc1Cl 1872754683 DKUYXJBPDXBHMI-KMCFQHSYSA-N 461.971 4.920 50 10 JJGE O=C(c1ccccc1I)N(CCCBr)Cc1ccccc1 1914611960 XWCSZEFXXMVZFP-UHFFFAOYSA-N 458.137 4.719 50 10 JJGE CCC[C@](C)(CBr)NC(=O)c1ccc(I)c(Br)c1 2029950657 WTCJZJAYOOTFIO-CYBMUJFWSA-N 488.989 4.737 50 10 JJGE Brc1cc(I)cnc1N1C[C@@H](Br)CCC12CCC2 2069529383 QSZPKCKKXFSADS-VIFPVBQESA-N 485.989 4.735 50 10 JJGE CCS(=O)(=O)C[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2081070096 HTPYOLUYNNHRHZ-SNVBAGLBSA-N 463.029 4.699 50 10 JJGE CC(C)(C)OC(=O)NCC[S@@](=O)(=NCC1(CBr)CCCC1)c1ccccc1 2163659240 MBOSIVYVGCZXQZ-MHZLTWQESA-N 459.450 4.994 50 10 JJGE CN(C(=O)c1ccc(I)c(Cl)c1)C1CCC(CBr)CC1 2171113100 XPFNBVFLLNSMDO-UHFFFAOYSA-N 470.576 4.970 50 10 JJGE Brc1cccc([C@H](CI)O[C@@H]2CCN3CCC[C@H]3C2)c1 2199478171 YYKXSXUJVXDCIT-XHSDSOJGSA-N 450.158 4.569 50 10 JJGE O=C(NC[C@@]12CCC[C@@]1(CCl)C2)c1ccc(I)c(Br)c1 2208031633 BQJXVXJTZYWNAW-GJZGRUSLSA-N 468.560 4.583 50 10 JJGE ClCCc1nc2ccncc2n1-c1ccc(Br)cc1I 2240010400 HNQBKEUEICBERK-UHFFFAOYSA-N 462.516 4.569 50 10 JJGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2296506845 HUGHCEGIPZTNPJ-DEOSSOPVSA-N 471.557 4.611 50 10 JJGE CC1=C(C#N)C(=O)N(C)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(C)C)c2)o1 2297316803 NQXHBYCCJTYBNQ-UHFFFAOYSA-N 452.894 4.635 50 10 JJGE BrCC[C@@H]1CCN(Cc2ccc(I)c(Br)c2)C1 2306224737 AYTJSALOKCBJSB-SNVBAGLBSA-N 472.990 4.661 50 10 JJGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cc(C)ccc2C(C)C)c(OC)c1 2314737483 ONABMIFXSIFOFA-UHFFFAOYSA-N 450.535 4.545 50 10 JJGE COc1ccc(C(=O)N[C@@H](CCBr)COCc2ccccc2)c(Br)c1 2320359519 DPTVFLPGGIFGQE-HNNXBMFYSA-N 471.189 4.558 50 10 JJGE O=C(N[C@@H]1CCCCC[C@@H]1Br)c1ccc(Cl)cc1I 2340054087 JALSIOBMZSPIOW-WCQYABFASA-N 456.549 4.771 50 10 JJGE CN(Cc1c(Br)c(Br)nn1C)c1cccc(F)c1CBr 2364334539 XHARWZKNMLRVPY-UHFFFAOYSA-N 469.978 4.616 50 10 JJGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCCS2(=O)=O)c1Br 2365238315 XNQFPFOANAHPDE-GXSJLCMTSA-N 491.039 4.542 50 10 JJGE CC1(C)CCCN(C(=O)c2ccc(Cl)cc2I)[C@@H]1CBr 2365592409 PWVMYXLRSHSLKL-CYBMUJFWSA-N 470.576 4.970 50 10 JJGE CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(=O)OCC)c3)o2)cc1 32916718 XHBVFKAYEYUCBA-HMMYKYKNSA-N 458.470 4.846 50 10 JJGE Cc1c(C(=O)Nc2nccs2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811795 RMEAWDSHRHBIHU-ZVHZXABRSA-N 473.352 4.530 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc(C)cc1C(C)(C)C 40878675 CFOYBZIZWBAGRQ-DEDYPNTBSA-N 464.562 4.717 50 10 JJGE N#CCOc1ccc(Br)cc1/C=N/NC(=O)c1cc2cc(Br)ccc2o1 59304069 RDKNQVJLJJSQLY-LSHDLFTRSA-N 477.112 4.624 50 10 JJGE COc1cc(/C=N\NC(=O)c2ccc(O)cc2)ccc1OCc1ccc(Br)cc1 169886387 YJNVTERQNZRRHM-CFRMEGHHSA-N 455.308 4.506 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C(=C\c1ccccc1)c1ccccc1 207188893 UUOJOPULWQMWIJ-JLEGWWTQSA-N 494.547 4.607 50 10 JJGE Cc1cccc(C(=O)N[C@]2(CBr)CCC[C@H](C)C2)c1I 235626025 ROUJBOPEACCURA-MEDUHNTESA-N 450.158 4.673 50 10 JJGE CC1(C)CN(C(=O)c2ccc(I)c(Cl)c2)CC[C@@H]1Br 311918869 BGALRWOWFDASFH-LBPRGKRZSA-N 456.549 4.580 50 10 JJGE O=C(N[C@@H]1CCC[C@H](CBr)C1)c1cc(Br)sc1Br 385058873 QKDCOUTXPCOERH-JGVFFNPUSA-N 460.029 4.957 50 10 JJGE O=C(c1cc(Br)ccc1I)N1CCCC[C@H](CCl)C1 711330237 OYGHFLWJBRYWGX-SNVBAGLBSA-N 456.549 4.535 50 10 JJGE CC[C@](C)(CCBr)NC(=O)c1ccc(I)c(Br)c1 721612216 IAZQIZAUUKAUPA-CYBMUJFWSA-N 488.989 4.737 50 10 JJGE C[C@@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)c1nc(O)c2ccccc2n1 782093895 BDIKKGCRZVUKQV-OKSBFYSISA-N 498.930 4.977 50 10 JJGE Cc1ccc(NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1C 853446947 HZQRMMQBCOMVET-AHFVYKFHSA-N 467.529 4.558 50 10 JJGE CCC(=NNC(=O)CSCc1cccc(Br)c1)c1ccc(OC)c(OC)c1 1084402857 YGYOTFVSTSWCBD-UHFFFAOYSA-N 451.386 4.630 50 10 JJGE C[C@@H](Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Cl 1858687153 ILGKNYLAPXELHO-CYBMUJFWSA-N 456.842 4.660 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccc[nH]2)C(C#N)=C(N)O3)cc1 1865710481 YYQMWZVZQAWZIG-OAQYLSRUSA-N 457.921 4.807 50 10 JJGE CCN(C[C@@](C)(CI)O[C@H]1COC2(CCCCC2)C1)C(=O)OC(C)(C)C 1879028822 GPNZBDXMGNVYRI-VQIMIIECSA-N 481.415 4.946 50 10 JJGE Brc1cc2c(cc1[C@H](Br)c1csnc1Br)OCCO2 1925251131 SBVWFSQQGAIKSY-NSHDSACASA-N 469.980 4.924 50 10 JJGE CCC[C@@H](CBr)CN1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1955956143 MNIWRKXTASCOFU-INIZCTEOSA-N 464.445 4.502 50 10 JJGE BrCC[C@@H]1CN(Cc2cc(Br)ccc2Br)CCS1 2054712691 ISQJXTIFOZJALJ-GFCCVEGCSA-N 458.057 4.914 50 10 JJGE CCC[C@@H](Br)c1cn(-c2cc(Br)ccc2I)nn1 2057426643 HJOOVFZPYLPVMV-SECBINFHSA-N 484.961 4.871 50 10 JJGE O=S(=O)(c1cc(CCl)sc1Br)N1CCC[C@H](OCc2ccccc2)C1 2066322122 QHNOUYGYACSUIH-AWEZNQCLSA-N 464.834 4.619 50 10 JJGE BrCCOC1CCN(Cc2cccc(Br)c2Br)CC1 2092338074 PARCFYFPLISZQU-UHFFFAOYSA-N 456.016 4.588 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CCC[C@@H]1CCCBr 2094089213 UFEXOGMNXMOJJR-JTQLQIEISA-N 454.000 4.991 50 10 JJGE O=S(=O)(c1ccc(CCCBr)cc1)N(Cc1ccccc1)CC(F)(F)F 2123269598 RSEZUVJYWRBYKN-UHFFFAOYSA-N 450.320 4.767 50 10 JJGE CC1(C)CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@H]1CBr 2148662028 KBDCFSHBPXPAHU-MRVPVSSYSA-N 465.660 4.596 50 10 JJGE C[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)CC[C@H]1CCCl 2172462527 FESQBIMZONCQQM-GHMZBOCLSA-N 470.576 4.781 50 10 JJGE COC(=O)[C@]1(CCCl)C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OCc1ccccc1 2172512341 SVZXCFJDULBKJD-GCJKJVERSA-N 456.055 4.960 50 10 JJGE CN(C(=O)c1cc(I)ccc1F)[C@@H]1CCCCC[C@H]1Br 2172536845 NXVFEXWKFGHVGO-TZMCWYRMSA-N 454.121 4.599 50 10 JJGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)Cc1cccc(Br)c1 2213760795 LKGUJMWZDAIJHF-HNNXBMFYSA-N 475.246 4.955 50 10 JJGE Cc1ccc(I)c(C(=O)NC[C@H]2CCCC[C@H]2CBr)c1 2240914625 PJRUMURKCHVASL-QWHCGFSZSA-N 450.158 4.531 50 10 JJGE C[C@]1(CNC(=O)c2cc(Br)ccc2Br)CCC[C@@H]1Br 2271297522 BHNALXMMYFEAIY-GXTWGEPZSA-N 454.000 4.895 50 10 JJGE CC(C)CN(C[C@@H](C)Cl)C(=O)c1ccc(I)c(Br)c1 2272427165 YEUGRSYDKKHWCZ-SNVBAGLBSA-N 458.565 4.779 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CCCC[C@@H]1CCBr 2295329312 GWZOZVGMSZBZEW-CQSZACIVSA-N 468.027 4.920 50 10 JJGE C[C@H]1C[C@H](Br)CCN1Cc1ccc(I)c(Br)c1 2306223501 GMVVBSJUGYLNRA-GXSJLCMTSA-N 472.990 4.802 50 10 JJGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)C(C#N)=C2C)c1 2314617688 RYRAWDPWWKSSDP-UHFFFAOYSA-N 466.541 4.940 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cc(C)ccc2C(C)C)c(OC)c1 2314777509 IDRBANMOJXDMQG-UHFFFAOYSA-N 464.562 4.935 50 10 JJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2csc(Br)c2Br)[C@H]1C 2321281429 BBRLXPLMGMCQBZ-ZKWXMUAHSA-N 460.029 4.907 50 10 JJGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1ccc(Cl)c([N+](=O)[O-])c1 2325405962 AMIWCBGROVOIRN-UHFFFAOYSA-N 482.665 4.619 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN=Cc1ccccc1OCc1ccc(Cl)cc1 2328828073 IOFOFERMRGLQCM-FQEVSTJZSA-N 457.958 4.769 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Cl)cc2)sc(C(=O)OC(C)C)c1C 2329654263 COJZEMQIBNGIPI-UHFFFAOYSA-N 460.939 4.998 50 10 JJGE FC(F)(F)[C@H]1C[C@H](Br)CCN1c1ncc(Br)cc1Br 2336401277 ZIDMLOMGCFIIKU-HZGVNTEJSA-N 466.921 4.901 50 10 JJGE CN1CCC[C@]1(C)CO[C@@](C)(CI)c1ccccc1Br 2362025284 NBPKGQZEOYRBPT-CVEARBPZSA-N 452.174 4.600 50 10 JJGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812183 KUINKNQOTRTGRN-MMJNIYDCSA-N 472.501 4.558 50 10 JJGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 58891096 QXZSDQBGFNCZTC-SDEVNZIBSA-N 456.502 4.562 50 10 JJGE N#C/C(=C/Nc1ccccc1[N+](=O)[O-])c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 100480622 OEMLNKHLAGMNAT-RAXLEYEMSA-N 461.415 4.709 50 10 JJGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OC(C)C)c(OC)c2)c(OC)c1 207007706 LHMPYWOISHCYBW-NHYIDKKOSA-N 465.502 4.580 50 10 JJGE N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 252629534 UILZWWODDJMLKU-UHFFFAOYSA-N 492.491 4.645 50 10 JJGE CC[C@@H]1[C@H](CBr)CCN1C(=O)c1cc(Br)c(Br)s1 385745856 VSDUUCYSXYDWTJ-IONNQARKSA-N 460.029 4.909 50 10 JJGE CCn1cc([C@@H](Br)c2cc(Br)ccc2OC)nc1Br 698372659 QRRGDEPTHZNRHS-LBPRGKRZSA-N 452.972 4.921 50 10 JJGE Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3cc4c(Br)cccc4[nH]3)cc2)cc1 725881295 OPBBIVJVHNRONK-UHFFFAOYSA-N 484.375 4.829 50 10 JJGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc(O)nc2=O)[C@](C)(F)[C@@H]1O[Si](C)(C)C(C)(C)C 888085767 MIKYGDYNNJBTEG-UVLLPENVSA-N 488.749 4.987 50 10 JJGE CN(Cc1ccc(Br)cc1)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 914462905 HKVVYZFAYDAMML-ZHZULCJRSA-N 474.362 4.792 50 10 JJGE CC(=O)CCc1ccc(OCc2cccc(C(=O)NN=c3sc4ccccc4n3C)c2)cc1 1354872367 YJEMGIJFZDUZBM-UHFFFAOYSA-N 459.571 4.586 50 10 JJGE CC(=O)c1cccc(NC(=O)NNC(=O)c2ccc(COc3ccc(Cl)c(C)c3)cc2)c1 1464917290 PDCMLGZKKNSXCN-UHFFFAOYSA-N 451.910 4.897 50 10 JJGE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865695227 AEECOEKCDSAZRV-SFHVURJKSA-N 457.715 4.520 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccc(C(F)(F)F)cc1 1865711268 UQANSKLPJPQRJO-AWEZNQCLSA-N 451.330 4.523 50 10 JJGE CCc1ccc(-c2nc(CC(=O)NC(C)(C)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1867177767 GXFFHHZFZYWTQN-UHFFFAOYSA-N 462.575 4.862 50 10 JJGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(I)sn1 1884457983 CHLXMCPSXMHNJX-NSHDSACASA-N 479.181 4.564 50 10 JJGE CC[C@]1(C)[C@H](NCCSSCCNC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 1900190807 NATWJQJXNYEPSF-IIBYNOLFSA-N 463.710 4.660 50 10 JJGE O=C(c1sccc1I)N1CC2(CCCC2)C[C@@H]1CBr 1912766963 ZEPSCVVTOJVWDH-SNVBAGLBSA-N 454.171 4.523 50 10 JJGE CC(C)[C@H]1[C@H](Br)CCN1C(=O)c1cc(Br)c(Br)s1 2062179354 OVZGLPUUYCLBSW-XCBNKYQSSA-N 460.029 4.907 50 10 JJGE FC1(F)CO[C@@H](COc2c(Br)cc(CBr)cc2Br)C1 2088531669 PSTZRQORMINJEZ-MRVPVSSYSA-N 464.926 4.910 50 10 JJGE CS(=O)(=O)c1csc([C@@H](Cl)c2ccc(I)c(Br)c2)c1 2093071511 ISKPSWVADMXFIV-LBPRGKRZSA-N 491.597 4.847 50 10 JJGE CC1(C)[C@@H](Br)CC[C@@H]1NC(=O)c1c(Br)cccc1Br 2142125300 DRJJIKXWNZLDGE-QWRGUYRKSA-N 454.000 4.894 50 10 JJGE CO[C@@](C)(COCc1ccccc1)Cn1c(CCCl)nc2cncc(Br)c21 2151785101 VKQGTDNVLINURQ-HXUWFJFHSA-N 452.780 4.597 50 10 JJGE CC(C)(C)OC(=O)N1CCN([S@](C)(=O)=NCCCCCCCCCBr)CC1 2163057798 FGMHFNYNEGPQKH-HHHXNRCGSA-N 468.502 4.678 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H](CCl)[C@@H](C(F)(F)F)C1 2163346019 YJHMVRDGYXLWJZ-FSPLSTOPSA-N 455.521 4.762 50 10 JJGE CN(Cc1ccccc1)[C@H]1CCCCN(S(=O)(=O)c2cc(CCl)sc2Br)C1 2169153137 MKGIHANSZVPZMP-INIZCTEOSA-N 491.904 4.925 50 10 JJGE Cc1ncc(CC(CBr)(CBr)c2cccc(Br)c2)n1C 2172226899 BLTSCBWAFWYXMP-UHFFFAOYSA-N 465.027 4.761 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)NCC1(CBr)CCCC1 2295314970 FVJBNMHDXNEXHJ-UHFFFAOYSA-N 468.027 4.826 50 10 JJGE COc1ccc(CC(=O)N(Cc2ccccc2)C[C@@H](C)Br)c(Br)c1 2301106784 YWCMWEHSJYAMDU-CQSZACIVSA-N 455.190 4.812 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1C 2321677294 IRMPIRMPJJLURU-UHFFFAOYSA-N 455.474 4.528 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2CCOc3ccccc32)CC1 2340301097 WHHKGBCWKAMWLH-KRWDZBQOSA-N 473.351 4.732 50 10 JJGE C[C@@H]1[C@H](Br)CCN(C(=O)c2cccc(Br)c2Br)[C@@H]1C 2344511331 AMCGCKBPADDJLP-IQJOONFLSA-N 454.000 4.846 50 10 JJGE CC1(C[S@@](C)(=O)=NC[C@](C)(CBr)C(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2352084676 UOTUALITJVWRLM-AFMDSPMNSA-N 453.487 4.789 50 10 JJGE COc1cc(F)c([C@@H](Br)c2c(Br)nc(C)n2C)cc1Br 2362487075 MEZPADYCYVECIS-LLVKDONJSA-N 470.962 4.886 50 10 JJGE CC(C)[C@H]1C[C@@H](Br)CN1C(=O)Cc1cc(Br)cc(Br)c1 2370731137 LQVZZBZXTMVQMU-ZIAGYGMSSA-N 468.027 4.775 50 10 JJGE O=C(NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1)c1ccc(-c2ccccc2)cc1 10510633 KKGRJVLQIMFLPY-UHFFFAOYSA-N 495.604 4.924 50 10 JJGE CCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 14029520 ZSUHOLDBXUDHIN-UHFFFAOYSA-N 469.763 4.512 50 10 JJGE Cc1nn(-c2ccccc2)c(C)c1/C=C(/C#N)C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1 33404252 LNYAXEPYVQBKIV-YBEGLDIGSA-N 469.328 4.885 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccccc1C 40934991 KFKHHDCPNZEEBV-CJLVFECKSA-N 488.540 4.975 50 10 JJGE COc1ccc(CCN(C(=O)CCl)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1OC 97914580 WCXCYTIUXJFUHU-VWLOTQADSA-N 491.003 4.643 50 10 JJGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 206275023 TYZOFNGJKVZBTP-SDXDJHTJSA-N 482.587 4.668 50 10 JJGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2OC)cc1 206434095 MXFXPSHEROCZGB-XHMSLRDHSA-N 462.546 4.924 50 10 JJGE O=C(N[C@H]1CCCC[C@@H]1CCl)c1cc(Br)ccc1I 231604359 VTFCLXTXNQGORW-RNCFNFMXSA-N 456.549 4.581 50 10 JJGE COc1ccc(C(=O)NN=Cc2ccc(OC)c(COc3c(F)c(F)cc(F)c3F)c2)cc1 254428479 KRAXBZCIHBHHCS-UHFFFAOYSA-N 462.399 4.603 50 10 JJGE CN(C(=O)c1ccc(I)c(Br)c1)[C@H]1CCCC[C@@H]1Cl 721619793 MLTALCHAFZHOOO-AAEUAGOBSA-N 456.549 4.676 50 10 JJGE C[C@H](Cl)C[C@H]1CCCN1C(=O)c1ccc(I)c(Br)c1 721625710 ZLNNSWYZGUCXKN-GXSJLCMTSA-N 456.549 4.676 50 10 JJGE CN(C)CCc1ccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 727998684 CQIKNXUNJHDKEI-PGMHBOJBSA-N 472.980 4.767 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)CSCc2ccc(Cl)cc2)cc1 1084582698 KLWRCRCQVGSKRA-UHFFFAOYSA-N 489.018 4.800 50 10 JJGE C=CC[C@H](Cc1ccccc1)NC(=O)NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 1683289202 PBAGVIGCOODPAV-LJQANCHMSA-N 459.575 4.527 50 10 JJGE COc1ccc(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)cc1 1858840607 PUAYMRJHGFUSTI-OAHLLOKOSA-N 463.519 4.713 50 10 JJGE CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1 1865683168 HQJPYWCEHDAWDB-KRWDZBQOSA-N 459.859 4.829 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2snc3ccccc23)cc1 1867267357 DUVFJJIAENRJRM-NRFANRHFSA-N 474.567 4.555 50 10 JJGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1 1872747565 IVFGSYZSFCEQDM-NMWGTECJSA-N 478.530 4.903 50 10 JJGE CCOc1cc(/C=N/NC(=O)c2sc(=N)[nH]c2C)ccc1OCc1ccc(Cl)cc1Cl 1873498190 UXQDZPLMLDIOOQ-KIBLKLHPSA-N 479.389 4.912 50 10 JJGE C[C@H](Br)[C@H](NC(=O)c1ccc(Br)cc1Br)C(F)(F)F 1882651604 KQRXJKKDFGZNFT-CDUCUWFYSA-N 467.905 4.656 50 10 JJGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1sccc1Br 1915086040 CMTHBAYEZNQXLX-LBPRGKRZSA-N 467.248 4.875 50 10 JJGE Fc1ccc(Br)c(CO[C@H](CCl)[C@H](I)CCl)c1 2025680585 JDRFFJPDHCWRHE-GHMZBOCLSA-N 455.920 4.755 50 10 JJGE CC[C@H](C)[C@@H](CBr)NC(=O)c1ccc(I)c(Br)c1 2081238848 KUKMEJHUHBNFQY-QPUJVOFHSA-N 488.989 4.593 50 10 JJGE Clc1ccc(I)c(CN2C[C@H]3CCC[C@@]3(CBr)C2)c1 2103168642 MRVNMCUCKOFNHF-IUODEOHRSA-N 454.577 4.942 50 10 JJGE CC(C)C[C@@H](CBr)CNC(=O)c1cc(Br)cc(Br)c1 2120741789 DUZAARPQONTADA-JTQLQIEISA-N 456.016 4.999 50 10 JJGE CC[C@@H]1CN(C(=O)c2c(Br)cccc2Br)C[C@@H]1CBr 2140789986 VMJSEOZTKCMDSY-ZJUUUORDSA-N 454.000 4.705 50 10 JJGE O=C(c1csc(I)c1)N1CCC[C@@]2(CBr)CCCC[C@@H]12 2165292304 AOFBNOFJHDCNDO-IUODEOHRSA-N 468.198 4.913 50 10 JJGE CS(=O)(=O)C1CC([C@@H](Br)c2cc(Br)c(Br)s2)C1 2248997368 JHCHDKWXBKEWOR-GVNUUABZSA-N 467.042 4.532 50 10 JJGE O=C(CSc1nc(O)c2c(-c3ccc4c(c3)CCCC4)csc2n1)NN=Cc1ccc(O)cc1 2320488237 NVYKNQZOWQVUKE-UHFFFAOYSA-N 490.610 4.891 50 10 JJGE C[C@H](Br)[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1I 2340058541 RLDQXNUIFBWDMP-TVQRCGJNSA-N 456.549 4.723 50 10 JJGE C[C@@H](Nc1ccc(Br)cc1)C(=O)NN=Cc1ccccc1OCc1ccccc1 8670904 AXAXXQZQHIVCPR-QGZVFWFLSA-N 452.352 4.979 50 10 JJGE aggregator C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC/C2=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 13563706 WMVYBBWDFRHJPT-KLEXSUDHSA-N 478.505 4.851 50 10 JJGE C/C(=N\NC(=O)[C@@H](O)c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 20157811 GHDAVXLKMHMGEI-XYGFXTTESA-N 456.329 4.820 50 10 JJGE CSc1sc(SC)c(/C=N/NC(=O)Cc2ccccc2)c1/C=N/NC(=O)Cc1ccccc1 20275254 LRELMDRSFFEMDS-RYQLWAFASA-N 496.683 4.578 50 10 JJGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 33614439 LXKVUFCEHWAARU-ZHZULCJRSA-N 477.929 4.787 50 10 JJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3)c(OCC)c2)C1=O 38606607 JISDBVWUXYLXJL-XQNSMLJCSA-N 474.557 4.683 50 10 JJGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813053 OZNXRBAVDGNQGX-NLRVBDNBSA-N 466.881 4.872 50 10 JJGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2c(Cl)cccc2Cl)C1 118875335 CVOGJLQOBOYNKS-JTQLQIEISA-N 479.061 4.747 50 10 JJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OCc3ccc(C)cc3)c(OCC)c2)C1=O 214302981 PPOIASYGBWAIAZ-JLPGSUDCSA-N 488.584 4.992 50 10 JJGE CC(C)[C@@H](CI)NC(=O)c1cc(C(F)(F)F)ccc1Br 232693727 NBRUZVRTYRZBQG-LLVKDONJSA-N 464.063 4.657 50 10 JJGE COc1ccc(C=NNC(=O)c2cc(-c3ccc(OCc4ccc(C)cc4)c(OC)c3)n[nH]2)cc1 254582574 VOUFQIIEFNYVPO-UHFFFAOYSA-N 470.529 4.745 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@H](c2cc(I)ccc2F)C1 382734603 WGQXZZWYHRPOBR-ZWNOBZJWSA-N 484.147 4.776 50 10 JJGE ClCCc1nc2cc(I)ccc2n1Cc1ccc(Br)o1 393541264 YXCGCUMHJHJTGW-UHFFFAOYSA-N 465.516 4.826 50 10 JJGE O=C(CBr)c1cc(C(F)(F)F)cc(I)c1C(F)(F)F 575340463 DFLOEBFESPPLFL-UHFFFAOYSA-N 460.937 4.906 50 10 JJGE C[C@H]1CC[C@H](CBr)CN1C(=O)c1ccc(I)c(Cl)c1 688706021 PHSSBDDLUOPKKC-VHSXEESVSA-N 456.549 4.580 50 10 JJGE O=C(CNc1ccc(F)cc1)NN=Cc1ccccc1OCc1ccc(Br)cc1 725393537 FDUPXMKRBZAOCF-UHFFFAOYSA-N 456.315 4.729 50 10 JJGE O=C(Cc1c[nH]c2cc(Cl)ccc12)NNC(=O)c1ccccc1OCc1ccc(F)cc1 727705146 IJOPKUCHVZNDQU-UHFFFAOYSA-N 451.885 4.543 50 10 JJGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 1083984072 YMBZXPHGTCWZAJ-JOCHJYFZSA-N 497.935 4.800 50 10 JJGE Cc1nc2ccccc2n1CC(=O)NN=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21 1084196904 JEVDBKLPNCDHFX-UHFFFAOYSA-N 492.366 4.719 50 10 JJGE O=C(NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1ccccc1Cl 1084381757 DMJVWTZKZGDHRO-UHFFFAOYSA-N 482.765 4.826 50 10 JJGE C/C(=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(=O)NNC(=O)C1CC1 1538514042 IGIQJNGOLKXODP-CAPFRKAQSA-N 456.542 4.805 50 10 JJGE CCCOC(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772750092 UCGHHBCSZQNTHR-UHFFFAOYSA-N 453.322 4.697 50 10 JJGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccccc1F 1772760336 CXWFQCVGRVRJLI-UHFFFAOYSA-N 478.549 4.922 50 10 JJGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(OC)c1)C(C#N)=C(N)O2 1865706002 LMZFJZMPPDIRTN-FQEVSTJZSA-N 471.344 4.733 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707034 MFIRWNOKGQKVCZ-DEOSSOPVSA-N 480.524 4.783 50 10 JJGE CCCCCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1OC 1873794975 LQJGKAHHPKJVAE-RTJYLNGCSA-N 483.609 4.850 50 10 JJGE COc1ccc(Br)c(C(=O)N(C)C[C@H](Br)COCc2ccccc2)c1 1916335869 WWVQPOYQGZQJGC-HNNXBMFYSA-N 471.189 4.510 50 10 JJGE O=S1(=O)CCC[C@@H]([C@H](Br)c2cc(Br)c(Br)s2)C1 1942228092 SCNJRWFTUDCXFP-MUWHJKNJSA-N 467.042 4.534 50 10 JJGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1ncc(Br)cc1Cl 2007992516 LRXHAGFVKFTEAM-CQSZACIVSA-N 476.596 4.550 50 10 JJGE CC(C)[C@@H]1[C@H](Br)CCN1C(=O)c1csc(Br)c1Br 2062182982 LKCOWSQBHFUZPW-PSASIEDQSA-N 460.029 4.907 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CC[C@H](CBr)C12CC2 2070145293 AMIZVIKDLFSAGU-SSDOTTSWSA-N 458.013 4.663 50 10 JJGE Cn1ncc(Br)c1C[C@@H](CBr)Cc1cccc(Br)c1 2087324719 CASQPEWNMLWREM-NSHDSACASA-N 451.000 4.741 50 10 JJGE Cc1cc(COc2c(Br)cc(Br)cc2CBr)ncn1 2089437916 JRMMYJWEANRZDI-UHFFFAOYSA-N 450.956 4.784 50 10 JJGE CC(C)(C)OC(=O)N[C@H](C[S@@](C)(=O)=NCC1(CBr)CCCC1)C(C)(C)C 2106788600 RBIQVGZCCSCPFK-PVPMGCCUSA-N 453.487 4.979 50 10 JJGE CC1(C)C[C@H](CBr)CN1C(=O)c1cc(Br)cc(Br)c1 2127823259 FWPZVPLOTGLWMS-SECBINFHSA-N 454.000 4.847 50 10 JJGE BrCc1ccc(N2CC[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)cc1Br 2129053460 NHHHSGGUTJWJKB-LEWJYISDSA-N 480.244 4.824 50 10 JJGE Cl[C@@H]1CC[C@H]2CCCN(c3ncc(I)cc3Br)[C@@H]2C1 2133372792 DQEKTXGKFDYTKD-GIPNMCIBSA-N 455.565 4.825 50 10 JJGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3cn(C)nc3Br)c2O1 2173183896 SHGBKJQSTVGDKA-JMCQJSRRSA-N 464.983 4.753 50 10 JJGE O=C(c1cc(I)ccc1F)N1CCCC[C@@H]1CCCBr 2206655057 FCENZPZNSGPOCN-GFCCVEGCSA-N 454.121 4.600 50 10 JJGE CCN(CCCCCI)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2214705098 NIBUBNLYMSPGSX-SJPCQFCGSA-N 450.405 4.844 50 10 JJGE C[C@H]1C[C@@H](C(F)(F)F)N(CCCCCI)CCN1C(=O)OC(C)(C)C 2220215465 NVBITEVZFIABEU-KBPBESRZSA-N 478.337 4.854 50 10 JJGE F[C@@]1(CC(CBr)(CBr)c2ccc(Br)cc2)CCOC1 2229969764 GSNKXDBVVSPPFY-CQSZACIVSA-N 458.991 4.995 50 10 JJGE COc1ccc([C@@H](Br)c2ccc3nsnc3c2)cc1I 2285004447 DBENDTMXFXJUEM-CQSZACIVSA-N 461.122 4.789 50 10 JJGE CNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 2293039249 SQQCYHCTBYGNLX-KRWDZBQOSA-N 466.777 4.819 50 10 JJGE CC[C@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@H]1CBr 2295314269 VXONYYFULQLSPQ-NWDGAFQWSA-N 468.027 4.634 50 10 JJGE N#CC(=Cc1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O)c1nc2ccccc2s1 2297462152 HDCUKAJODJOPJY-UHFFFAOYSA-N 490.592 4.695 50 10 JJGE CC[C@@](C)(CO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)C(F)F 2299750049 PJCJMDUKUODAOC-DLBZAZTESA-N 461.331 4.889 50 10 JJGE CNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 2314478460 MPJTUPCGYASHDB-UHFFFAOYSA-N 452.489 4.910 50 10 JJGE CCCCCCOc1ccc(C=C2C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1OC 2314618840 VISFEEDHVFDUEB-UHFFFAOYSA-N 454.567 4.673 50 10 JJGE CCCCCOc1ccc(C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1OC 2314618987 XVKNWCGSRDSWLI-UHFFFAOYSA-N 454.567 4.672 50 10 JJGE C[C@@H](Br)[C@H](NCc1ccc(Cl)c(I)c1)C(F)(F)F 2315548074 CLOCROYNEVYEAE-LDWIPMOCSA-N 456.471 4.749 50 10 JJGE CCC(=CC(=O)N[C@H](CCSC)C(=O)Nc1ccc(SC#N)cc1)c1ccc(OC)cc1 2329563095 ZGOXHMQGXJFLOC-JOCHJYFZSA-N 469.632 4.938 50 10 JJGE Cn1cnc(Br)c1[C@H](Br)c1cc(Br)cc2c1OCCC2 2362495394 WSISKAWJCWKIQV-LLVKDONJSA-N 464.983 4.754 50 10 JJGE CCCCOc1cccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 14041656 CUVCZGJVBXBMCI-UHFFFAOYSA-N 477.399 4.766 50 10 JJGE Cc1nn(-c2ccccc2)c(O)c1/C(=N\NC(=O)Cc1c(C)[nH]c2ccccc12)c1ccccc1 18191896 KMBCRBLSYOGGKY-QVTSOHHYSA-N 463.541 4.787 50 10 JJGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCC)c(OCC)c2)c(OC)c1 33378393 CFUHTGXWVDQMJY-ZXTVHIMQSA-N 465.502 4.581 50 10 JJGE COc1ccc(/C(C)=N\NC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)cc1OC 35240492 WJYPCEUGDXKOJX-PKAZHMFMSA-N 450.564 4.557 50 10 JJGE COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCCC(C)C 40947736 YCSZLPHZYVDEPO-ZVHZXABRSA-N 470.620 4.881 50 10 JJGE C=CCOc1c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1CC=C 58891999 IFFUUPASPQSWCO-FFAHCDIZSA-N 457.368 4.706 50 10 JJGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C1=O 101332732 AHOJKEUWOVRCJB-HZHRSRAPSA-N 452.514 4.550 50 10 JJGE C[C@H]1CCC[C@@](CBr)(NS(=O)(=O)c2cc(Cl)c(Br)s2)C1 136579112 LLPGLTJIWLBYCB-QPUJVOFHSA-N 465.660 4.786 50 10 JJGE COCCO[C@@H]1[C@@H](Cl)C[C@@H]1Oc1c(Br)cc(Br)cc1Br 234694270 XYUYZMSUDYLYST-GMXVVIOVSA-N 493.417 4.764 50 10 JJGE C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)NNC(=O)c2ccc(F)cc2)nnc1-c1cccs1 251642784 SFJXAIUPZZOVFB-WXSAJPJJSA-N 499.637 4.696 50 10 JJGE C[C@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1cc(CCl)sc1Br 404267698 GEEUGPSAISOWDI-KFWWJZLASA-N 491.904 4.921 50 10 JJGE C[C@H](Br)C[C@H]1CCCN1c1ncc(C(F)(F)F)cc1I 686113016 KMVKCPZNRVKJGB-WCBMZHEXSA-N 463.079 4.847 50 10 JJGE CN(c1ncc(C(F)(F)F)cc1I)C(C)(C)CCBr 686116698 VXAKSVYQIPTTSL-UHFFFAOYSA-N 451.068 4.705 50 10 JJGE O=C(Nc1nc(CCl)cs1)c1ccc(I)c(Br)c1 721580035 SBVKSXADYFAGFM-UHFFFAOYSA-N 457.518 4.501 50 10 JJGE ClCc1nc2cc(I)ccc2n1Cc1sncc1Br 722785552 XDISKNADUPPRRH-UHFFFAOYSA-N 468.545 4.647 50 10 JJGE COC1CCN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 725238553 MNNZKHWEXDFQHF-IBGZPJMESA-N 474.932 4.717 50 10 JJGE CCN(CC(=O)Nc1c(F)cccc1F)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C 912609186 ADBAZRFIPVJKTD-UYRXBGFRSA-N 480.490 4.906 50 10 JJGE C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@@H]4C[C@]2(C)[C@]1(OC(=O)c1ccco1)C(=O)CCl 1848435312 PGAGVJAYRDPYKY-VANNRVTJSA-N 484.976 4.668 50 10 JJGE N#CSc1ccc(NC(=O)Nc2ncccc2OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 1858839020 YWODBNCDCMGWNB-UHFFFAOYSA-N 490.570 4.738 50 10 JJGE CCOc1cc(C(=O)N2CCC(C(=O)Nc3ccc(SC#N)cc3)CC2)cc(OCC)c1OCC 1860594047 MCOQQFSQCALZDN-UHFFFAOYSA-N 497.617 4.947 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681006 CJHZPHCDNMZEOE-HSZRJFAPSA-N 468.488 4.670 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)ccc1O 1865681142 FZTBLOLYLJMGSZ-DEOSSOPVSA-N 464.525 4.921 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc1OCC 1865689842 XPHUWGXRVJTTQE-JOCHJYFZSA-N 450.926 4.850 50 10 JJGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)cc1OC 1865697333 QDOHGZLZAABJIU-XMMPIXPASA-N 460.534 4.595 50 10 JJGE Cc1c(C(F)(F)F)cccc1S(=O)(=O)N(Cc1ccccc1)C[C@H](C)Br 1914640102 XLCQXNNENKGBNH-ZDUSSCGKSA-N 450.320 4.988 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC[C@H]1CN(C(=O)OC(C)(C)C)CC12CCC2 2019923456 PNPGPVFJUUWPHU-KRWDZBQOSA-N 475.721 4.519 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CC[C@@H](Br)C2(CC2)C1 2032260169 PMGVLLRCOQABOA-MRVPVSSYSA-N 458.013 4.663 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H](Br)C2(CCC2)C1 2046395500 XXNDRAJKBLONRD-QMMMGPOBSA-N 458.013 4.663 50 10 JJGE O=C(NC[C@@H](CBr)C(F)(F)F)c1cccc(Br)c1Br 2105265772 QZCFDEDVQIQHNA-ZCFIWIBFSA-N 467.905 4.515 50 10 JJGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)N1CCC(CBr)CC1 2123242246 UEPHMFHVWWYGDM-INIZCTEOSA-N 457.459 4.663 50 10 JJGE Cn1ncc(Br)c1CC(CBr)(CBr)Cc1ccccc1 2143633855 KHNAPTRRDRCMAY-UHFFFAOYSA-N 465.027 4.744 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 2150957460 DWPPABQTXRHGHA-TVYUQYBPSA-N 468.560 4.580 50 10 JJGE O=C(NC[C@@H]1CCCC[C@@H](Cl)C1)c1cc(I)ccc1Br 2163753710 LQZSDJWBBLEJOV-GHMZBOCLSA-N 470.576 4.971 50 10 JJGE O=C(NCC1CC2(CC[C@H]2Cl)C1)c1cc(I)ccc1Br 2195350968 SVZKRKFKMFOIQR-KWCGZIOASA-N 468.560 4.581 50 10 JJGE CCN(CCBr)CCC[C@@H](C)NC(=O)c1cscc1OCc1ccccc1 2204140680 SJGRGZITXLPACY-QGZVFWFLSA-N 453.446 4.942 50 10 JJGE CC1(C)C[C@H](CCl)CN(C(=O)c2ccc(Br)cc2I)C1 2207273720 WVNCKZFYDNQIIR-SNVBAGLBSA-N 470.576 4.781 50 10 JJGE C[C@@H]1CCCN(CCCCCI)[C@H]1CCCNC(=O)OC(C)(C)C 2214697439 PYRYYEGXACWONZ-SJORKVTESA-N 452.421 4.997 50 10 JJGE Cc1ccc(I)c(C(=O)N2CCC[C@@H]2C(C)(C)CBr)c1 2240925383 PCUYKQOPBHNMFF-CQSZACIVSA-N 450.158 4.625 50 10 JJGE C[C@H](Br)[C@H]1CCCN1C(=O)Cc1cc(Br)cc(Br)c1 2277931223 GMUHPCZYBSZIMZ-TVQRCGJNSA-N 454.000 4.529 50 10 JJGE N#CC(=Cc1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2297551848 SJKTYWXZGGEDOW-UHFFFAOYSA-N 483.549 4.612 50 10 JJGE Cc1c(Br)cccc1C(=O)N[C@H](CCBr)COCc1ccccc1 2303546867 KVUWPIRBMVFLTE-MRXNPFEDSA-N 455.190 4.858 50 10 JJGE CC(C)(CI)CN1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 2306819689 XBKMAUOJYOKJMR-INIZCTEOSA-N 450.405 4.559 50 10 JJGE O=C(NN=Cc1ccc(OCCCc2ccccc2)cc1)c1cc(-c2ccccc2)nc(O)n1 2323693474 ULPAQLOTVLJFIG-UHFFFAOYSA-N 452.514 4.625 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@@H]2CC[C@H](Br)[C@H]1C2 2359382148 SKPQPYRHGGGNDR-NURSFMCSSA-N 468.560 4.723 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N(C)CCC[C@@H](C)Br)cc1Br 2361181127 LEHYKCTUGKELOA-SNVBAGLBSA-N 492.071 4.704 50 10 JJGE O=C(N[C@H]1C[C@H](CBr)C12CCC2)c1ccc(Br)cc1Br 2379721326 RVDWFPILHIEHHC-RNCFNFMXSA-N 466.011 4.895 50 10 JJGE N#C/C(=C\c1c[nH]nc1-c1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20530169 LSWCTZRLQBLWTE-LHLOQNFPSA-N 473.580 4.917 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)c(OC)c1 38656971 OPCRMSTVBAOSNW-SANMLTNESA-N 486.524 4.523 50 10 JJGE O=C(NNc1ncnc(NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1cccc(Cl)c1 40650609 HNBJLKLHHFUMJP-UHFFFAOYSA-N 474.908 4.997 50 10 JJGE Cc1cc(Oc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])ccc1Cl 40657899 QHABOYIGYADETR-UHFFFAOYSA-N 478.690 4.658 50 10 JJGE CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)Cc3cccc(C(F)(F)F)c3)c2C)c1 59136547 WAJDFFMMTBFLSM-WKULSOCRSA-N 471.479 4.982 50 10 JJGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2OC)cc1 205647101 TWPNGYRPNRATGD-PMKSQJLDSA-N 484.508 4.549 50 10 JJGE COc1ccc(-n2c(SCC(=O)NN=C/C=C/c3ccccc3)nnc2-c2ccccc2)cc1 254592051 IAFMVVPMGHLZKS-QFYRLPJPSA-N 469.570 4.850 50 10 JJGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CC4(C)OCCO4)cc3[C@@H]3C=CC[C@@H]32)c1OC 1084076845 YIAUSSHAOKBCRN-BVFVYWQFSA-N 491.588 4.524 50 10 JJGE O=C(NN=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccccc1Br 1084180397 MQMMQVWAOOBNTO-UHFFFAOYSA-N 454.280 4.700 50 10 JJGE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NN(C)c2ccccc2)c1 1638630621 QEVLNLZJKULVRM-UHFFFAOYSA-N 455.967 4.503 50 10 JJGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NCc5ccccn5)c(C)c43)coc2c1 1772752214 ZKOPJFGPCFYBAT-UHFFFAOYSA-N 484.556 4.675 50 10 JJGE CCOc1ccc(C=NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1OC 1772754537 JKAIUUBPILOZGG-UHFFFAOYSA-N 463.372 4.683 50 10 JJGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cn(C)c3ccccc13)C(C#N)=C(N)O2 1865698783 CMADYRIBRSYNFX-OAQYLSRUSA-N 460.335 4.653 50 10 JJGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC[C@@H](c3ccc4c(c3)OCO4)C2)n1 1868253250 DLNLTWCANCWVHI-GOSISDBHSA-N 475.574 4.705 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(OC(C)=O)cc3)n2)c(OC)c1OC 1872759217 HHEDQJFJIGIGRZ-JZJYNLBNSA-N 452.488 4.711 50 10 JJGE N[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]1Br 1877387793 GQJFIZVCHXDUKI-KMYHCQSRSA-N 468.834 4.819 50 10 JJGE CN(C(=O)c1csc(Br)c1Br)[C@@H](CCBr)C(F)F 2058238011 WBRPYCCHKXLXGT-LURJTMIESA-N 469.971 4.764 50 10 JJGE FC(F)(F)c1c(I)c(CBr)nn1-c1ccnc(C2CC2)c1 2078930449 WDYJEVKETZIVHK-UHFFFAOYSA-N 472.046 4.663 50 10 JJGE Cc1c(Br)ccc([C@@H](Br)C2(S(C)(=O)=O)CC2)c1Br 2083341435 ZCAQWKSLWOIPMP-LLVKDONJSA-N 461.013 4.533 50 10 JJGE CN(C[C@H](Br)C1CCCCC1)C(=O)c1csc(I)c1 2111353478 LISXNHJVOXCDJB-LBPRGKRZSA-N 456.187 4.769 50 10 JJGE O=C(NC[C@@H]1CCCC[C@H](Cl)C1)c1ccc(I)c(Br)c1 2163747605 CWJHFAYZASQWGC-PWSUYJOCSA-N 470.576 4.971 50 10 JJGE CC1(C)CO[C@@H](COc2c(Br)cc(CBr)cc2Br)CO1 2176669319 CSZMYENLDSZUCD-JTQLQIEISA-N 472.999 4.679 50 10 JJGE COc1ccc(Br)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H](CCl)C(C)C 2227661801 HRWUNTDITBSYOI-KRWDZBQOSA-N 460.821 4.912 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC2(C3CCCCC3)COC2)C1 2272934714 GYABAKLKRXNBRT-LJQANCHMSA-N 479.399 4.557 50 10 JJGE C[C@]1(CCBr)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2277928325 ONNDBIJVCYWXGL-AWEZNQCLSA-N 454.000 4.530 50 10 JJGE O=C(c1scc(Br)c1Cl)N1C[C@@H](C(F)(F)F)[C@@H](CBr)C1 2279183641 MQCLFQCJXJAIMM-NTSWFWBYSA-N 455.521 4.809 50 10 JJGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 2314585498 AJFFADKKHPYPOB-AWEZNQCLSA-N 470.407 4.879 50 10 JJGE COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C(C)=C(C#N)C2=O)cc1 2314620137 KJFVPAMZTULRDA-UHFFFAOYSA-N 483.480 4.698 50 10 JJGE O=S1(=O)C[C@@H]2CCC[C@@]2([C@H](Cl)c2sc(Cl)cc2I)C1 2338768492 QZUUHMLAULPBOC-UPZJHPNMSA-N 451.178 4.501 50 10 JJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(Cl)c(Cl)c3)cc2OC)cc1 2807047 RYPUMPFKFMCEOV-UHFFFAOYSA-N 473.312 4.994 50 10 JJGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 10683765 LITMVZDKAHATQH-KSSFIOAISA-N 497.817 5.000 50 10 JJGE Cc1ccc(-n2c(SCC(=O)NNC(=O)c3ccc(Cl)cc3)nnc2-c2ccccc2F)cc1 20818408 FDYTUZCTAHHSGS-UHFFFAOYSA-N 495.967 4.589 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)c(C)c1 34914665 LCHYOFWSVYNXNZ-CCOQBKANSA-N 470.573 4.839 50 10 JJGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1 39858642 VKVXICMDJVHVIB-SDXDJHTJSA-N 454.461 4.734 50 10 JJGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Nc1cccc2cccnc12 40758402 YYRIGBXADLRTQJ-UHFFFAOYSA-N 461.529 4.626 50 10 JJGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244555 NUZGBXZLFMTIIL-YDYXIROLSA-N 455.539 4.760 50 10 JJGE COc1cc(C[C@@H](Br)c2cc(Br)c(Br)s2)ncn1 138952410 BUKLRAQSEIRISO-SSDOTTSWSA-N 456.985 4.750 50 10 JJGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1 206396341 RIMQBEURHUNUMC-ZJRWQGKSSA-N 482.536 4.936 50 10 JJGE CCOc1ccc(/C=C(/C#N)C(=O)N(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)cc1OC 207130705 XJGBQDBTZFWWSY-XLNRJJMWSA-N 490.581 4.985 50 10 JJGE C[C@H](NC(=O)/C(C#N)=C\NCCc1cccc(Br)c1)C12CC3CC(CC(C3)C1)C2 217059833 TXAXVRLDZBUFRO-IWXZPIAGSA-N 456.428 4.710 50 10 JJGE Cc1ccccc1-n1c(SCC(=O)NN=C/C=C\c2ccccc2[N+](=O)[O-])nc2ccccc2c1=O 254384909 ABUKZRRTEZITBR-WZNGBTOPSA-N 499.552 4.510 50 10 JJGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3[N+](=O)[O-])n2C2CCCCC2)cc1 254579000 KZJFIBCOZFABGE-UHFFFAOYSA-N 478.578 4.909 50 10 JJGE O=C(N[C@@H](CCl)C1CCCC1)c1cc(I)ccc1Br 385987315 AGXRTEXUDTVATD-ZDUSSCGKSA-N 456.549 4.581 50 10 JJGE C[C@@H]1CC[C@@H](CBr)CN1C(=O)c1cc(Br)sc1Br 688646731 SZCWUOGZBGFVJA-SFYZADRCSA-N 460.029 4.909 50 10 JJGE C[C@H](Br)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2Br)C1 689041988 CJJVQOYPKJDLSE-VHSXEESVSA-N 454.000 4.847 50 10 JJGE Cn1cc([C@H](Br)c2c(Br)cc(F)c(F)c2F)nc1Br 698482838 RLQXBFPDYRUXNE-QMMMGPOBSA-N 462.889 4.847 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@H]1CCCCl 721614936 BMVKOZCBGCUZHF-LLVKDONJSA-N 456.549 4.677 50 10 JJGE O=C(c1scc(Br)c1Br)N1C2CCC1(CBr)CC2 722991302 ZWIMATAZVMPVFZ-UHFFFAOYSA-N 458.013 4.805 50 10 JJGE O=C(Oc1cccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c1)c1ccc(Cl)cc1 1084412238 FPDHLFDGKBOVAK-UHFFFAOYSA-N 484.939 4.945 50 10 JJGE CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)CC1 1521063578 IFJKBBNCXCMHCO-GAZVVYGOSA-N 452.643 4.698 50 10 JJGE COc1cc(Br)c(Cl)c2sc(NNC(=O)C(Cl)(Cl)Cl)nc12 1615892566 YKCDRWJWYAORTK-UHFFFAOYSA-N 453.960 4.534 50 10 JJGE C=CC(=O)N1CCC(C(=O)N2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)(c2ccccc2)CC1 1629349776 MRZTXORFBFCIHZ-QFIPXVFZSA-N 456.703 4.746 50 10 JJGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(Br)cc1 1865693394 NVPDYBYKIPNETD-OAQYLSRUSA-N 495.377 4.959 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1ccccc1C(=O)O 1865703751 DVDRTTYHVLNEMS-QFIPXVFZSA-N 466.472 4.654 50 10 JJGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706030 MCCKDUQIWBFQMY-IBGZPJMESA-N 470.316 4.927 50 10 JJGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)c1 1873920333 DGOXZHGZSYBFOU-NKFKGCMQSA-N 494.529 4.522 50 10 JJGE CC1(C)[C@H](Br)CCCN1c1ncc(I)cc1Br 2020195938 LJYQBTSXPSRMSR-SNVBAGLBSA-N 473.978 4.591 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H](CBr)C2(CC2)C1 2027531820 YUFBOAPHVUQIBP-ZETCQYMHSA-N 458.013 4.520 50 10 JJGE CC(C)(CCBr)CNC(=O)c1ccc(Br)cc1I 2086147656 PTJNUQHGWYFZCM-UHFFFAOYSA-N 488.989 4.595 50 10 JJGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CCl)c1 2095873457 FXGXCFCALZDMTQ-UHFFFAOYSA-N 460.821 4.805 50 10 JJGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@H]1C 2179819289 KENLHFZPMXSRPT-GVDBMIGSSA-N 471.486 4.623 50 10 JJGE C[C@H](Br)[C@H]1CCCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2193585059 SXWLPRXXUDEIHE-WRWORJQWSA-N 466.022 4.692 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN(CCCCCI)C1 2214705375 RCGHJVQRZXLLFW-IRXDYDNUSA-N 450.405 4.703 50 10 JJGE Cc1sc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c(C)c1Br 2218992787 ORAYEMYCKPENPO-UHFFFAOYSA-N 469.492 4.763 50 10 JJGE C[C@H]1[C@H](Br)C[C@@H](C)CN1C(=O)c1cccc(Br)c1Br 2227600359 MTPQPCDUJLHCRM-VDDIYKPWSA-N 454.000 4.846 50 10 JJGE CC[C@@H](C)[C@@H](CI)NC(=O)c1ccc(Cl)c(I)c1 2256391974 SANHCEQQQHOPJC-PRHODGIISA-N 491.538 4.524 50 10 JJGE CC[C@@H](C)[C@@H](Br)CNC(=O)Cc1cc(Br)cc(Br)c1 2277931817 IKLMHFIEWKDMAW-RNCFNFMXSA-N 456.016 4.680 50 10 JJGE COc1c([C@@H](Cl)c2cnn(C)c2I)cc(Br)c(C)c1C 2284587211 ZQYIBHGTKUEDPA-GFCCVEGCSA-N 469.548 4.741 50 10 JJGE COc1ccc([C@H](Br)[C@H]2C[C@@H](OC)C23CCC3)cc1I 2285001640 HKUQHXMYYCYQSN-DFBGVHRSSA-N 451.142 4.941 50 10 JJGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593051 GLWFVBDTJLZWMG-RUZDIDTESA-N 467.594 4.992 50 10 JJGE CC(C)[C@H]1C[C@H](Br)CN1C(=O)c1cc(Br)sc1Br 2321384020 PHSYBJGXDBNHGC-IONNQARKSA-N 460.029 4.907 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)c(OC)c1 2331385769 ICGBSTDCHYYWEF-UHFFFAOYSA-N 475.526 4.782 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@H]2C[C@]1(CBr)C2 2336788627 QZJVQJMKQNWJQU-DEZZCRIOSA-N 451.984 4.601 50 10 JJGE COc1cc(F)c([C@H](Br)c2c(Br)ncn2C)cc1Br 2337317816 SPBNHAVQXGFCSK-JTQLQIEISA-N 456.935 4.577 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1(C)CS(=O)(=O)C1 2339683035 YVSORGSXAYSRJO-LLVKDONJSA-N 479.003 4.530 50 10 JJGE F[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(Cl)cc1I 2341014506 YURHRWCROHMUSQ-WVWOOGAGSA-N 458.540 4.783 50 10 JJGE O=C(N[C@@H]1C[C@@H](CBr)C12CCC2)c1cc(Br)ccc1Br 2379721525 SJVPIKAUQUHGJF-TVQRCGJNSA-N 466.011 4.895 50 10 JJGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1C(C)C 9231565 DIWHSBVZNRBNIV-INIZCTEOSA-N 477.399 4.691 50 10 JJGE Cc1cc(OCC(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)ccc1Cl 14645576 BZBKXWAXTXYQME-UHFFFAOYSA-N 483.790 4.676 50 10 JJGE N#C/C(=C/c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)C(=O)Nc1ccc2ccccc2c1 35519528 PTGYOAYIWXXBLO-ODLFYWEKSA-N 499.508 4.768 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(C)C)cc2)ccc1OCC(=O)Nc1nccs1 35520049 MWRNECPBJXKUEH-UNOMPAQXSA-N 476.558 4.838 50 10 JJGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)N[C@H](C)CC)c(=O)oc3c2)cc1 206546304 LVOPJQYGMATYCU-VJOZSWGJSA-N 474.513 4.623 50 10 JJGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)C1=O 214219876 JWCDSFXSHPJHGO-HAHDFKILSA-N 452.514 4.550 50 10 JJGE O=C(N[C@H]1CCCC[C@H]1CBr)c1cc(Br)cc(Br)c1 231609617 NHGQBPGLCUDSCP-ZANVPECISA-N 454.000 4.895 50 10 JJGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CSc3nc4ccccc4s3)o2)cc1 254631773 XUHPNDQZIFZTCL-UHFFFAOYSA-N 465.556 4.975 50 10 JJGE Fc1cc2c(cc1I)nc(CCCl)n2C1[C@H]2CN(Cc3ccccc3)C[C@H]12 398346210 GSDGYOLQVKYAPI-GJZGRUSLSA-N 495.767 4.864 50 10 JJGE C[C@@H](Br)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2Br)C1 689041983 CJJVQOYPKJDLSE-NXEZZACHSA-N 454.000 4.847 50 10 JJGE O=C(NCCCCCCBr)c1ccc(I)c(Br)c1 721612840 JJUXRKAWLAZAGJ-UHFFFAOYSA-N 488.989 4.739 50 10 JJGE C[C@H]1CN(C[C@@H](c2cccs2)N(C(=O)CCl)c2ccc(Oc3ccccc3)cc2)C(=O)CN1 725238646 OPVVIVSSGTXETK-AVRDEDQJSA-N 484.021 4.674 50 10 JJGE C[C@H]1CCCN(Cc2ccc(CNC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)cc2)C1 918573836 CXNVTAFVPLMBLE-WCFTWNFSSA-N 492.627 4.919 50 10 JJGE O=C(NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cc(F)c(F)cc1Cl 1084235229 SCTLCYSDYOBVAX-UHFFFAOYSA-N 476.779 4.991 50 10 JJGE C#C[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C)C1CCOCC1 1529522367 UWWCVFMXJDBOEL-LPRAYXGFSA-N 456.373 4.853 50 10 JJGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 1865757264 UUZMGXXGQWEPIA-UHFFFAOYSA-N 473.479 4.989 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1 1872745745 AVFXNXUKNGCOJD-VZCXRCSSSA-N 490.497 4.596 50 10 JJGE Brc1ccc(CN2C[C@@H](Br)C[C@]3(CCCO3)C2)c(Br)c1 1924249285 CBELASQITGYZTG-DZGCQCFKSA-N 468.027 4.730 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H](Br)CC2(CC2)C1 1926031421 DRSYTUKNQUHEPE-SSDOTTSWSA-N 458.013 4.663 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@@H](CBr)C2(CC2)C1 2027530858 UAOGWVDGVHJQTQ-SSDOTTSWSA-N 458.013 4.520 50 10 JJGE C[C@H](NC(=O)c1scc(Br)c1Br)[C@H]1CCC[C@@H]1Br 2048884725 GWUIBBKVTWMNPZ-RNJXMRFFSA-N 460.029 4.955 50 10 JJGE CN(C(=O)c1cc(Br)c(Br)s1)[C@@H](CCBr)C(F)F 2058235289 VHNMJSQJHDNPJQ-LURJTMIESA-N 469.971 4.764 50 10 JJGE Fc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)cc1 2079251127 OXVZBNHPRJZRDJ-UHFFFAOYSA-N 463.010 4.589 50 10 JJGE CC1(C)CC[C@H](Br)CN1C(=O)c1cc(Br)ccc1Br 2099880561 WIESXESZSPVBTE-JTQLQIEISA-N 454.000 4.990 50 10 JJGE CC[C@@]1(CBr)COCCN1Cc1cc(Br)ccc1Br 2118519143 GUAZUOLHPDAIQM-CQSZACIVSA-N 456.016 4.588 50 10 JJGE CC(C)[C@@H]1[C@H](Br)CCN1C(=O)c1c(Br)cccc1Br 2126091337 AJPKOWWUYIDHKI-DGCLKSJQSA-N 454.000 4.846 50 10 JJGE C[C@@H](Br)C[C@H]1COCCN1Cc1ccc(Br)cc1Br 2128858929 NYWPPKPXVDCZCW-MFKMUULPSA-N 456.016 4.586 50 10 JJGE O=C(c1cc(I)ccc1F)N(CCBr)Cc1cccs1 2171090651 LYWCFKKFNCCRPD-UHFFFAOYSA-N 468.129 4.529 50 10 JJGE Cc1c(CBr)cccc1S(=O)(=O)N(Cc1ccccc1)[C@H]1COC(C)(C)C1 2179785367 LBLLRJWTZOHVQQ-LJQANCHMSA-N 452.414 4.648 50 10 JJGE Cc1nccc2c1nc(CCl)n2-c1cc(I)ccc1Br 2183320713 RBGBKPBDSCXIBM-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE Cc1cc(CBr)cc(S(=O)(=O)N2CCC[C@H](OCc3ccccc3)C2)c1C 2186381030 MNSPOBYFTFGHGX-FQEVSTJZSA-N 452.414 4.568 50 10 JJGE Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)CBr)ccc1I 2207100014 AFLAJJJWUBVUSZ-SWLSCSKDSA-N 450.158 4.625 50 10 JJGE Cc1cc(C(=O)N2CCCC[C@H]2CCCBr)ccc1I 2207107833 SWCJSLWOKRJUGO-AWEZNQCLSA-N 450.158 4.769 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(OCC2CC3(CC(F)C3)C2)CC1 2259989475 XQYPHRVCQGSWHK-UHFFFAOYSA-N 467.363 4.736 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCCc2ccc(F)cc2)C1 2263402162 MXUZIBXANJNCIR-IBGZPJMESA-N 463.331 4.590 50 10 JJGE C[C@@H](Br)C[C@H]1CCCN1C(=O)c1ccc(Cl)c(I)c1 2268352301 ZNZPNYDJWVXIED-MWLCHTKSSA-N 456.549 4.723 50 10 JJGE C[C@H](Cl)CN(C(=O)c1ccc(I)c(Br)c1)C(C)(C)C 2272489521 KRIFYZRTHVDUIT-VIFPVBQESA-N 458.565 4.922 50 10 JJGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3cc(C)cc(C)c3)nc3ccccn3c2=O)cc1 2296846498 RROOZJNDIJQIEN-UHFFFAOYSA-N 466.497 4.658 50 10 JJGE N#CC(=Cc1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)NC1CCCCC1 2297318612 KFJCFRJLRJJSTG-UHFFFAOYSA-N 493.361 4.605 50 10 JJGE COc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)C(=O)Nc1cccc(Cl)c1 2314532263 IGJKIEPJEQAIGH-UHFFFAOYSA-N 472.888 4.694 50 10 JJGE Cn1nc(Br)c(Br)c1[C@@H](Cl)Cc1ccncc1Br 2316717067 DUWWCNPQRRRSMB-QMMMGPOBSA-N 458.379 4.625 50 10 JJGE O=C(N[C@H](CBr)c1ccccc1)c1ccc(Cl)cc1I 2365589086 QWJRSNIFXNZSKA-CQSZACIVSA-N 464.528 4.811 50 10 JJGE Clc1ccc(CN(CCCBr)C2CCOCC2)c(I)c1 2381153665 YZXCFBCSKNQNAN-UHFFFAOYSA-N 472.592 4.711 50 10 JJGE CC(C)(C)c1ccc(OCCn2cc(/C=C(\C#N)C(=O)N3CCC(C(N)=O)CC3)c3ccccc32)cc1 13424369 CWVPOMAAHCOHQT-RELWKKBWSA-N 498.627 4.649 50 10 JJGE CCCCCCOc1ccc(C(=O)N/N=C2/C(=O)Nc3cc(Br)c(C)cc32)cc1 14025291 SHCKWCBUOPLPEL-UHFFFAOYSA-N 458.356 4.803 50 10 JJGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NC2CCCC2)c1 35549844 FAWMPLYJDNGEHF-CYVLTUHYSA-N 456.546 4.884 50 10 JJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1OC 38680860 NWQJWFAGQHVZTJ-VWLOTQADSA-N 472.472 4.836 50 10 JJGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N5CCCCC5)c(C)c43)coc2c1C 40826680 QTIMCMPLIOFSLB-SGWCAAJKSA-N 461.562 4.976 50 10 JJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(F)c(F)c1 59261932 GDMWCAQYWIRNMQ-FTQFDPMJSA-N 490.967 4.639 50 10 JJGE O=C(Nc1nc(CCl)cs1)c1cc(Br)ccc1I 236040035 ZNPJQVFJOMCFMT-UHFFFAOYSA-N 457.518 4.501 50 10 JJGE C/C(=N/NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)c1ccc2ccccc2c1O 255961448 DOTKYLKOGUCOSW-VTLDIMCMSA-N 473.573 4.868 50 10 JJGE COCCO[C@@H]1[C@H](Cl)C[C@H]1Oc1c(Br)cc(Br)cc1Br 300481605 XYUYZMSUDYLYST-NQBHXWOUSA-N 493.417 4.764 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CCC(CCBr)CC1 401134857 PZPULWZOOYYZJO-UHFFFAOYSA-N 454.000 4.849 50 10 JJGE FC(F)(F)Oc1cc(I)c(Br)c(CBr)c1 575694511 GQCSQNZLOXPLPG-UHFFFAOYSA-N 459.825 4.847 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)cc1 725381359 YWFBVAMXQQJBEQ-OAQYLSRUSA-N 470.909 4.661 50 10 JJGE O=C(Cn1c2ccccc2c2ccccc21)NN=Cc1ccc(I)cc1 1084023700 MTDJDUKXLMOVLV-UHFFFAOYSA-N 453.283 4.549 50 10 JJGE COc1cc(C=NNC(=O)c2ccccc2)cc(Br)c1OCc1ccccc1F 1084640430 ROSVQNJXUKXNAF-UHFFFAOYSA-N 457.299 4.940 50 10 JJGE C=CCCc1ccccc1NC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1 1476482842 HFEBERWOECQGQP-SANMLTNESA-N 454.574 4.585 50 10 JJGE C=CC[C@]1(C(=O)NNc2ccc(Cl)c(Br)c2)CCCN1C(=O)OC(C)(C)C 1639215103 OREVIZAMIRMNCF-LJQANCHMSA-N 458.784 4.891 50 10 JJGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1cccc2ccccc12 1865693232 MKZFNVJMCIKBAT-XMMPIXPASA-N 452.514 4.959 50 10 JJGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865710582 BZGBAQQYYJTYLZ-HSZRJFAPSA-N 494.979 4.781 50 10 JJGE CCc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1 1865759806 SRUNQFPXYSZFGN-UHFFFAOYSA-N 458.345 4.766 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@H](Br)CCc1ccc(Br)cc1F 1905342440 IZNBBDURYBIXAL-CYBMUJFWSA-N 455.121 4.581 50 10 JJGE O=S(=O)(CCCOCc1ccccc1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915171118 CCXDJYJGBPIHKE-JOCHJYFZSA-N 466.441 4.599 50 10 JJGE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)NCC2CC(Br)C2)c1 2020168710 JSDVYJGRCDYNQZ-UHFFFAOYSA-N 462.182 4.699 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]([S@@](C)(=O)=NCC2(CBr)CCCCC2)C1 2106787059 XRPLXHWSISLIHT-YHAMSUFESA-N 451.471 4.829 50 10 JJGE C[C@@H]1CC[C@@H](CBr)N(C(=O)c2cc(Br)cc(Br)c2)C1 2110616253 JXVRQXNDAHXNSD-RNCFNFMXSA-N 454.000 4.847 50 10 JJGE CC1(C)C[C@H](Br)CCN1C(=O)c1ccc(I)c(Cl)c1 2113587184 UUCUEJQORVDWMK-SNVBAGLBSA-N 456.549 4.723 50 10 JJGE O=C(N[C@@H]1CC[C@@H]2C[C@@]21CBr)c1cc(Br)cc(Br)c1 2132116202 OZDMZXMLAAZGEC-GAJTVXKRSA-N 451.984 4.505 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2CCC[C@]2(CCl)C1 2159408394 LDQCHKTZAINCNY-ABAIWWIYSA-N 468.560 4.535 50 10 JJGE Brc1ccccc1[C@H](CI)O[C@@H]1CCN2CCC[C@@H]2C1 2199476479 SDZCWNJRGAOEAW-IOASZLSFSA-N 450.158 4.569 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1ccc(I)c(Cl)c1 2204561656 GMRJGUNHOFDOAP-GEEFMHANSA-N 468.560 4.627 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@@H](Br)CCC12CC2 2227506587 RMYVYSOYIHDXJT-VIFPVBQESA-N 451.984 4.744 50 10 JJGE COc1ccc(OC)c(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2c(Cl)cccc2Cl)c1 2296826738 LDCZZBUZYYCQMG-UHFFFAOYSA-N 498.366 4.932 50 10 JJGE C[C@@H](Br)CC1C[C@@H]2CC[C@H](C1)N2C(=O)c1sccc1I 2367008511 PCSBHUUMBVAUIQ-WAAKLRNESA-N 468.198 4.909 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc(Cl)cc4Cl)c(=O)c32)cc1 2198187 UAVJBJHSHRADCP-OAQYLSRUSA-N 468.340 4.739 50 10 JJGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14649971 KFRGQXHSZMQGOD-MRXNPFEDSA-N 499.405 4.894 50 10 JJGE CC(C)COc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1Br 14652930 PHXMUQMYIKZMDV-UHFFFAOYSA-N 490.181 4.631 50 10 JJGE CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)OC(C)C)=C(C#N)[C@@H]1c1cccs1 20898666 DMMVJKGZLYWKQA-HXUWFJFHSA-N 468.600 4.829 50 10 JJGE CC(C)c1ccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2OCC(=O)Nc2nccs2)cc1 35519546 AZKWEIUMDSLTPH-WOJGMQOQSA-N 491.529 4.738 50 10 JJGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)cc1 38602892 RTJWZPIRJRBUFR-LFVJCYFKSA-N 466.541 4.940 50 10 JJGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)cc1 38606700 BWNXVCHHQNSWPY-PCLIKHOPSA-N 458.558 4.981 50 10 JJGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)COc3ccccc3)CCC4)c2n1 40816182 SNDVXRASJCCUSN-MWAVMZGNSA-N 483.524 4.899 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1c(C)ccc(C)c1C 40934761 QMNBMDPPSCVORB-LPYMAVHISA-N 488.540 4.811 50 10 JJGE CCOc1ccc(/C=N/NC(=O)CCCOc2ccc(CC)cc2Br)cc1OC 40959382 RFFLCCWOOZCRAE-BUVRLJJBSA-N 463.372 4.728 50 10 JJGE COc1ccc(COC(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 59156255 BQEWOHJATBKSIE-YDZHTSKRSA-N 466.406 4.564 50 10 JJGE CCc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 59372710 YCWMZBPDHSNTNR-OVVQPSECSA-N 463.603 4.718 50 10 JJGE COc1cc(/C=N/NC(=O)c2ccccc2OCc2cccc(Br)c2)cc(OC)c1OC 96095918 GEHPFJLUPOEINF-VULFUBBASA-N 499.361 4.818 50 10 JJGE COc1ccc(-c2cc(C(=O)NN=Cc3ccc(OC)c(C)c3OC)c3ccccc3n2)cc1 252629785 UNQPYBAHOFMFIC-UHFFFAOYSA-N 455.514 5.000 50 10 JJGE CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]3C[C@H](Br)[C@@]2(O)C(C)=O)C1 254506038 GEVAMMLEIGNEOT-PXGMZQKKSA-N 455.433 4.654 50 10 JJGE C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2Br)[C@H]1CBr 688677405 ASDKXVAWHFQGSP-RNCFNFMXSA-N 454.000 4.847 50 10 JJGE O=S(=O)(c1cc(Cl)c(Br)s1)N(CCBr)c1ccccc1 714543955 ORTSFBDKBCKLHB-UHFFFAOYSA-N 459.612 4.754 50 10 JJGE COc1ccc(NC(=S)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1Cl 726896392 QNZMTXRSLROVGE-UHFFFAOYSA-N 459.930 4.698 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)c(C)n1CCC(C)C 731337567 GNGAANUHEHXGTH-NLZIUFDSSA-N 483.634 4.649 50 10 JJGE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNC(=S)Nc1ccc(OC(C)C)cc1 1594254641 FRJWVCLZMCUYBV-UHFFFAOYSA-N 453.486 4.689 50 10 JJGE O=[N+]([O-])c1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)c(Cl)c1 1614637180 TWLHKSZZOIRYAY-RHSMWYFYSA-N 456.711 4.899 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1OCC 1865689327 PUMIBZJIDLTXSI-QHCPKHFHSA-N 464.953 4.909 50 10 JJGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)C[C@H]2CCCCO2)cc1 1867257298 SMEKNJUMHZVUMT-IFMALSPDSA-N 469.632 4.576 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@@H](CBr)C2(CCC2)C1 1914494886 SHSUINQWSPKFBM-SNVBAGLBSA-N 466.011 4.849 50 10 JJGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)C1CC(OCc2ccccc2)C1 1955612257 DNNYGVHWEHDZKW-UHFFFAOYSA-N 466.441 4.740 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CC2(CC2)C[C@@H]1CBr 2037826674 CKGRIMHZXWSSDQ-SSDOTTSWSA-N 458.013 4.663 50 10 JJGE O=C(CBr)c1ccc(OC(F)(F)F)c(I)c1C(F)(F)F 2055117474 QZGOKXOCMDVFEJ-UHFFFAOYSA-N 476.936 4.786 50 10 JJGE FC(F)(F)c1cccc(-n2nc(CBr)c(Br)c2C(F)(F)F)n1 2078914966 AXFKMTQDQXKWLF-UHFFFAOYSA-N 452.978 4.962 50 10 JJGE Cc1cc(Br)c(NC(=O)N2CCC(Br)CC2)c(Br)c1 2105815317 MMVAIRJDHQAQNX-UHFFFAOYSA-N 454.988 4.911 50 10 JJGE O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N(Cc1ccccc1)[C@@H]1CCOC1 2123254666 OMQHFTQMNQCCIE-CQSZACIVSA-N 479.223 4.868 50 10 JJGE COc1ccc([C@@H](Br)c2c(C)nn(C)c2Br)c(Br)c1 2129266669 ZVZBZQBGKPQOFJ-GFCCVEGCSA-N 452.972 4.746 50 10 JJGE O=C(N[C@@H]1CC[C@@H]2C[C@]21CBr)c1ccc(Br)cc1Br 2132117580 XKUPNFRNCKKMMO-RGZBUGHASA-N 451.984 4.505 50 10 JJGE CO[C@H](COc1c(Br)cc(CBr)cc1Br)[C@H]1CCOC1 2150288972 UMJDEAOGSWNFBC-GXFFZTMASA-N 472.999 4.537 50 10 JJGE C[C@H](Br)CN1CCCN(Cc2cc(Br)ccc2Br)CC1 2176833637 ZPAJQTMDIMWOGP-LBPRGKRZSA-N 469.059 4.503 50 10 JJGE CN(C(=O)c1cc(Br)ccc1Br)[C@@H](CCBr)C(F)(F)F 2178514987 IAPAKFICJFABMB-JTQLQIEISA-N 481.932 5.000 50 10 JJGE CCCN(C[C@H](C)Br)C(=O)c1cc(I)ccc1Br 2259756986 GWNOOYJJJQNJOD-VIFPVBQESA-N 488.989 4.689 50 10 JJGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@H](CBr)C12CCC2 2283662921 SKDULONNPDRDAK-LLVKDONJSA-N 468.560 4.724 50 10 JJGE COc1ccc([C@@H](Br)c2cc3cnn(C)c3s2)cc1I 2285010670 RPWNOCPHMLYFJX-CYBMUJFWSA-N 463.138 4.732 50 10 JJGE COc1cc(C=C2CN(c3ccc(C)c(Cl)c3)C(=O)NC2=O)ccc1OCCBr 2297560529 LNLPLVJTCOZLFA-UHFFFAOYSA-N 479.758 4.571 50 10 JJGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)cc1 2314634639 RTLKCHVNULTMFV-HHHXNRCGSA-N 484.508 4.549 50 10 JJGE O=S1(=O)CCC[C@@H]1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2337093714 HVDQRLRYBUXYEY-GMSGAONNSA-N 454.970 4.861 50 10 JJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C)c(Br)c2)cc1 14029159 NAQSMLPGJUORGL-UHFFFAOYSA-N 492.439 4.666 50 10 JJGE CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NNC(=O)c1ccccc1Br 20286925 GZDIUGDPVXTWLS-CPNJWEJPSA-N 498.406 4.770 50 10 JJGE C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 20311474 XDVXDVWFOBCAAQ-AEOXGOBCSA-N 458.268 4.535 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1 38650279 VNBWXFTWXSKZAW-JOCHJYFZSA-N 477.314 4.895 50 10 JJGE COc1ccc(/C(CSc2nc3ccccc3o2)=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1 59460588 VGFWQUARWYNHBS-QQTULTPQSA-N 462.487 4.671 50 10 JJGE O=C(c1cc(Br)ccc1Br)N(CCCBr)C1CCC1 228551631 WWOSAHIKZNAZDM-UHFFFAOYSA-N 454.000 4.991 50 10 JJGE COc1cc(C=NNC(=O)CNc2cccc3ccccc23)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254816881 VMENCHORVOXNNU-UHFFFAOYSA-N 498.495 4.538 50 10 JJGE COc1ccc2ccccc2c1C=NNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 263629681 CJJBNAWEPAJYBZ-FAWRTBKGSA-N 494.507 4.678 50 10 JJGE COc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1F 382686943 JSDGPXBYXPWBHH-IAGOWNOFSA-N 469.294 4.622 50 10 JJGE CC(C)(C)N(CCBr)C(=O)c1cc(Br)ccc1I 690979845 HWDDSAODWCKJMD-UHFFFAOYSA-N 488.989 4.689 50 10 JJGE CCC[C@H](CCBr)NC(=O)c1ccc(I)c(Br)c1 721595624 WJCBKSVFQSNFBS-SNVBAGLBSA-N 488.989 4.737 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2CC[C@H](Cl)C[C@H]2C1 721615103 RELVFIUBWYRQEF-SRVKXCTJSA-N 468.560 4.533 50 10 JJGE COCCNC(=O)c1ccc(Cl)c(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)c1 727995698 AWDZJIMGNFKGIF-MOSHPQCFSA-N 494.954 4.809 50 10 JJGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc([N+](=O)[O-])c2)CCC3)c1 1772746469 VTBZDSCQTUZBOA-UHFFFAOYSA-N 461.474 4.803 50 10 JJGE CCOC(=O)c1c(NC(=O)NN=Cc2ccc(O)c(Br)c2)sc2c1CC[C@@H](C)C2 1772753111 VHGRVRAXFZOXGQ-LLVKDONJSA-N 480.384 4.673 50 10 JJGE COc1ccc(Br)cc1C=NNC(=O)CSc1nc(-c2ccccc2)cs1 1772755219 VAHODMGENCILIZ-UHFFFAOYSA-N 462.394 4.824 50 10 JJGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC(Br)C1 1882559175 RHVNFMLNFVOYEN-LGHDPPOTSA-N 471.395 4.592 50 10 JJGE CC[C@@]1(C)[C@H](NCCSSCCNC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 1900190805 NATWJQJXNYEPSF-IERDGZPVSA-N 463.710 4.660 50 10 JJGE CN(C[C@H](Cl)COCc1ccccc1)c1ncc(C(F)(F)F)cc1I 1916352584 ALUXKKSZWXYMHQ-AWEZNQCLSA-N 484.687 4.965 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@@H]2[C@H]3CC[C@H]4[C@@H](C3)C[C@H]42)C1 2077680553 LDHRKTBAPVSNKR-MVKVRZLJSA-N 461.384 4.642 50 10 JJGE CC[C@H](C)[C@H](CI)NC(=O)c1ccc(I)c(Cl)c1 2081235708 JDJSDUHFVBQIOU-UFBFGSQYSA-N 491.538 4.524 50 10 JJGE O=S1(=O)CCCC[C@@H]1[C@@H](Br)c1ccc(Br)cc1Br 2083339248 QDDBVZXUIANANE-NEPJUHHUSA-N 461.013 4.615 50 10 JJGE BrCCCO[C@H]1CCN(Cc2ccc(Br)cc2Br)C1 2142043681 GUPXWKDWQBSMTA-ZDUSSCGKSA-N 456.016 4.588 50 10 JJGE O=S(=O)(N[C@H]1CCCC[C@H]1CCBr)c1cc(Cl)c(Br)s1 2146733096 DJBQSVBWMCFOJU-WPRPVWTQSA-N 465.660 4.786 50 10 JJGE CN(C(=O)c1cc(Cl)ccc1I)[C@@H](CCBr)C(F)(F)F 2178515023 IJVCHIMCPWSTMS-JTQLQIEISA-N 484.481 4.733 50 10 JJGE O=C(NC[C@@]1(CCl)C[C@@H]1C(F)(F)F)c1csc(Br)c1Br 2192581109 JQIDMQIMFCEANX-WKEGUHRASA-N 455.521 4.810 50 10 JJGE COCC(COC)CC(CBr)(CBr)c1cccc(Br)c1 2199388881 FVHKASNCCIIPGE-UHFFFAOYSA-N 473.043 4.776 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1cc(Cl)ccc1I 2204560868 CQHGJHZOBGMIFI-GTUGTTAGSA-N 468.560 4.627 50 10 JJGE O=C(c1ccc(Br)cc1I)N1C[C@H]2[C@@H](Cl)CCC[C@H]2C1 2207265282 PEPBLNDUBWDXON-BIMULSAOSA-N 468.560 4.533 50 10 JJGE O=C(NC[C@@]12CCC[C@@]1(CBr)C2)c1c(Br)cccc1Br 2208033213 NLMNNOQMCGGBKT-GJZGRUSLSA-N 466.011 4.897 50 10 JJGE Cc1ccc(C(=O)N2CC[C@H](Br)CC(C)(C)C2)cc1I 2232830831 NVOOYONRIZZMKA-ZDUSSCGKSA-N 450.158 4.625 50 10 JJGE CN(CC1CC(Br)C1)C(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 2241633905 DZPJYQRATFJSJE-UHFFFAOYSA-N 471.395 4.547 50 10 JJGE CC(C)(C)OC(=O)Nc1ccc([S@@](C)(=O)=NCCCCI)cc1 2243589413 ORVLOKCKPJFTJM-HSZRJFAPSA-N 452.358 4.706 50 10 JJGE CN(Cc1cccc(I)c1)c1cc(CCl)c(Br)cn1 2265534548 AKEJEAVCUFOUGQ-UHFFFAOYSA-N 451.533 4.824 50 10 JJGE COCc1ncc2nc(CCCl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2n1 2271076373 MLMQFJWWIWUXDC-UHFFFAOYSA-N 464.013 4.847 50 10 JJGE COc1ccc([C@@H](Br)C(F)(F)C2CCOCC2)cc1I 2284995758 DHCYPYAGKQMAAW-CYBMUJFWSA-N 461.084 4.798 50 10 JJGE Cc1cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccccc2)ccc1Cl 2296720898 QXEWGWQOQJAJDV-UHFFFAOYSA-N 477.929 4.787 50 10 JJGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(F)ccc1Br 2303544839 JERDRCYCZUZCKT-HNNXBMFYSA-N 459.153 4.688 50 10 JJGE CC[C@H]1[C@H](Br)CCN1Cc1ccc(I)c(Br)c1 2306219604 OBWIREZTKJCBPB-MFKMUULPSA-N 472.990 4.802 50 10 JJGE CC(C)N(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC(C)(C)CI 2306809478 JPSJQLMHWCKARW-MRXNPFEDSA-N 452.421 4.805 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(-c2ccc(F)cc2)o1 2314616878 LUWFXISAGONOMI-UHFFFAOYSA-N 456.429 4.607 50 10 JJGE COc1ccc(Br)c(C(=O)N[C@@H](CCBr)COCc2ccccc2)c1 2320361472 NTGSJVUYSSSZEZ-HNNXBMFYSA-N 471.189 4.558 50 10 JJGE Cc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1 2331313352 GPQNEJSWSADZPJ-UHFFFAOYSA-N 474.498 4.896 50 10 JJGE C[C@@]1(CBr)CC(F)(F)CN1C(=O)c1ccc(Cl)cc1I 2365598997 SZGUFTCAKQDGGR-LBPRGKRZSA-N 478.502 4.579 50 10 JJGE O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccccc1OCc1cccc(Br)c1 3152109 FUFSCYGVUDTJKM-YDZHTSKRSA-N 454.280 4.700 50 10 JJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c(Br)c1 14832372 LTNCBQVRYGRTAU-PBHICJAKSA-N 477.399 4.573 50 10 JJGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1cccc2ccccc12 20805544 VAGRLIOEFYWVHL-XTFCHBONSA-N 470.602 4.860 50 10 JJGE COc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 33615962 XHPFCCDNUCRQMK-GPSDDGMOSA-N 473.529 4.899 50 10 JJGE Cc1ccccc1Nc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 40648045 JQEKFDGHPXTKQI-UHFFFAOYSA-N 454.490 4.712 50 10 JJGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)COc2ccc(Br)c(C)c2)c1 66201439 OQEYTWGEJGXSBF-UHFFFAOYSA-N 491.426 4.786 50 10 JJGE O=C1Cc2cc([C@@H](Br)c3cc(Cl)ccc3I)ccc2N1 236084458 ASHKZRZXWMHENZ-OAHLLOKOSA-N 462.512 4.924 50 10 JJGE CC(C)(C)c1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc4c(c3)OCCO4)cc2)cc1 254420487 VJESUVDJYIZFAO-UHFFFAOYSA-N 458.514 4.738 50 10 JJGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cccc4ccccc34)cc2OC)cc1 254761244 VQXGRIFWHOXQDF-UHFFFAOYSA-N 498.535 4.995 50 10 JJGE CCCCOc1ccc(C=NNC(=O)CCCC(=O)NN=Cc2ccc(OCCCC)cc2)cc1 254764623 HGNGPRIELYGXLI-UHFFFAOYSA-N 480.609 4.815 50 10 JJGE CC[C@H](C)N(CCBr)C(=O)c1cc(Br)ccc1I 310624277 CIGKWEYGWDGPJV-VIFPVBQESA-N 488.989 4.689 50 10 JJGE C[C@@H](Br)C[C@@H]1CCCCCN1C(=O)c1ccc(I)cc1 312976569 PWWGECOWPWJXLG-DOMZBBRYSA-N 450.158 4.850 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(OCC)cc3)c2C)cc1 1083886620 MFTYUVSHIFJLIP-AREMUKBSSA-N 463.578 4.855 50 10 JJGE O=C(COc1ccc(Cl)cc1Cl)NN=C1C(=O)N(C/C=C\c2ccccc2)c2ccccc21 1084024457 VIQOZTNKUVSCOA-NKZZTPPWSA-N 480.351 4.953 50 10 JJGE Cc1ccccc1OCC(=O)NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 1084170471 LNBVMTQWCHIYAS-UHFFFAOYSA-N 468.340 4.748 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCC)c(OCC)c2)cc1 1084458184 UKEAETCZIXPXRY-FQEVSTJZSA-N 493.398 4.609 50 10 JJGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749060 GSKPSOAECVBALX-UHFFFAOYSA-N 468.513 4.624 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)ccc1OC(C)C 1865697098 XECWVOKAEZKFNV-RUZDIDTESA-N 458.562 4.871 50 10 JJGE COc1ccc(/C=N/NC(=O)c2sc(=N)[nH]c2C)cc1OCc1ccc(Cl)cc1Cl 1873498038 JKFIJLMIBVYUGS-PGGKNCGUSA-N 465.362 4.522 50 10 JJGE Cc1cc(Br)c(C(=O)N[C@@H](CCBr)COCc2ccccc2)s1 1902792451 KFHPBYIMQVHBPS-AWEZNQCLSA-N 461.219 4.919 50 10 JJGE O=C(NCC[C@@H]1CCC[C@H]1Br)c1scc(Br)c1Br 1913750939 GZGFXMBSUNPALS-JGVFFNPUSA-N 460.029 4.957 50 10 JJGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1ccc(I)c(O)c1 1915754523 YQMGZTAXVRYGRQ-UHFFFAOYSA-N 488.163 4.813 50 10 JJGE O=C(c1ccc(I)c(O)c1)N(Cc1ccccc1)C1(CCl)CCC1 1915769157 ZVCPCVVZDWTPBE-UHFFFAOYSA-N 455.723 4.801 50 10 JJGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1COCCO1 1924579427 FERIJISRDWHMHI-MHTLYPKNSA-N 455.393 4.731 50 10 JJGE Br[C@@H](c1cc(I)cc2c1OCC2)C1(Br)CCC1 2002787344 MJBQRNWFAFHIPY-LBPRGKRZSA-N 471.958 4.980 50 10 JJGE CC(C)(C)OC(=O)N[C@H](C[S@@](C)(=O)=NC[C@H](CBr)C1CCC1)C(C)(C)C 2106787718 JYUCBDGFJDPWEL-SBKBGZGTSA-N 453.487 4.835 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1[C@H]2CC[C@@H](C2)[C@H]1CBr 2122171859 JZYMJCUAUPEHGC-AQUOVQTQSA-N 451.984 4.600 50 10 JJGE COc1ccc([C@@H](Br)c2c(C)nn(C)c2Br)cc1Br 2129265244 JZPQFEMAQONBCY-GFCCVEGCSA-N 452.972 4.746 50 10 JJGE C[C@]1(CCCl)CCN(C(=O)c2cc(I)ccc2Br)C1 2131916140 KZLHOMJJGZKZFF-AWEZNQCLSA-N 456.549 4.535 50 10 JJGE F[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(I)c(Cl)c1 2142946159 ZENLVXOTAUTSFR-MHWZDGSBSA-N 458.540 4.783 50 10 JJGE O=C(NC[C@@H]1CCCC[C@@H](Br)C1)c1cccc(F)c1I 2163751080 LRULOOJZMKQOLQ-GHMZBOCLSA-N 454.121 4.504 50 10 JJGE O=C(c1scc(Br)c1Br)N1CC[C@@](CCl)(C(F)(F)F)C1 2167675403 GXGLBKMQOCCTLQ-JTQLQIEISA-N 455.521 4.907 50 10 JJGE CCc1ccc(S(=O)(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)cc1CBr 2179859647 HHGDYGWTCVLKOT-FQEVSTJZSA-N 452.414 4.514 50 10 JJGE O=C(NC[C@]1(CBr)C[C@@H]1C(F)(F)F)c1csc(Br)c1Br 2192586552 KUROSBOUCJSFIP-QUBYGPBYSA-N 499.972 4.966 50 10 JJGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(CC(=O)NCc3ccco3)c3ccccc23)c(C)c1 2296659706 QGYCFQQRROKDKU-UHFFFAOYSA-N 452.514 4.713 50 10 JJGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cccc(F)c1Br 2303546622 HCVWMMCKWACJKA-AWEZNQCLSA-N 459.153 4.688 50 10 JJGE Brc1cc(C[C@@H]2CCOCC[C@@H]2Br)ccc1I 2306210389 ILCWUATVZKBJTR-QWRGUYRKSA-N 473.974 4.786 50 10 JJGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3ccc(F)cc3)c(Oc3ccccc3F)nc12 2314531957 GBZGYDWYHBURFD-UHFFFAOYSA-N 458.424 4.619 50 10 JJGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314594087 YXVVICXMOINLPA-HSZRJFAPSA-N 491.544 4.560 50 10 JJGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C)cc2C(C)(C)C)c(OC)c1 2314728416 AUOVZWGGWSHESR-UHFFFAOYSA-N 451.519 4.756 50 10 JJGE CCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OCC)cc1 2314753762 DTTYNBOOUBUMTA-UHFFFAOYSA-N 486.524 4.919 50 10 JJGE CS(=O)(=O)c1cscc1[C@@H](Cl)c1sc(Cl)cc1I 2316771867 OEKXZDKYRJWUGC-SECBINFHSA-N 453.175 4.799 50 10 JJGE COCCOc1ccc(C=C(C#N)C(=O)NC2(c3ccc(Br)cc3)CCC2)cc1 2331118851 AFHNXIIFZMGBOY-UHFFFAOYSA-N 455.352 4.577 50 10 JJGE O=C(N[C@H]1CCCCC[C@H]1Br)c1ccc(Cl)cc1I 2340054088 JALSIOBMZSPIOW-YPMHNXCESA-N 456.549 4.771 50 10 JJGE CC(C)[C@H]1C[C@@H](Cl)CN1C(=O)c1cc(I)ccc1Br 2344767469 FWPRGBCCKNWVIP-NOZJJQNGSA-N 456.549 4.532 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CO[C@H]2COC[C@@H]12 2365187488 AURYENWJNCMJTM-RBPQBLHMSA-N 472.974 4.757 50 10 JJGE C[C@@H](Cl)C(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NC[C@@H]2CCCO2)c1 750416 KJTVNZINUVKONE-XXBNENTESA-N 484.040 4.620 50 10 JJGE COc1cccc(/C=N/NC(=O)c2[nH]c3c([N+](=O)[O-])cc(C)cc3c2-c2ccccc2)c1OC 3644540 YEKHWVAOYLMTFU-VULFUBBASA-N 458.474 4.833 50 10 JJGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc(C)c1Cl 14668113 RBMVNLYMTBLJMO-UHFFFAOYSA-N 497.817 4.622 50 10 JJGE O=C(NNC(=O)c1ccccc1Br)c1ccc(-c2nc3ccccc3s2)s1 21005931 KGPSYIGOJUQHMA-UHFFFAOYSA-N 458.362 4.862 50 10 JJGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2)cc1 38650350 IJKANOMHZKLKTE-VWLOTQADSA-N 454.482 4.697 50 10 JJGE [N-]=[N+]=Nc1nc(-c2ccccc2)[nH]c(=O)c1[PH](c1ccccc1)(c1ccccc1)c1ccccc1 100835232 JCMXLMZOJOQFMN-UHFFFAOYSA-N 475.492 4.730 50 10 JJGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 101340580 DQTNCUVHDLDDCN-UDWIEESQSA-N 457.417 4.786 50 10 JJGE CCC(=NNC(=O)c1ccc(C(=O)NN=C(CC)c2ccc(OC)cc2)cc1)c1ccc(OC)cc1 252618974 LLWLFPPKFMOQME-UHFFFAOYSA-N 486.572 4.792 50 10 JJGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2ccccc2C)c1 254387541 USCXWVZUUHGBSX-UHFFFAOYSA-N 465.509 4.765 50 10 JJGE Cc1ccc(NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c(C)c1 729344311 FDWPOVBOVIROCZ-AHFVYKFHSA-N 467.529 4.558 50 10 JJGE C=CCc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1084308650 JXTWQTJHXHVSPE-WOJGMQOQSA-N 470.323 4.660 50 10 JJGE CSc1ccc(C=NNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 1084459883 BUUGBCUFISMIQF-VWLOTQADSA-N 461.612 4.947 50 10 JJGE CC(CCc1ccccc1)=NNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 1084559407 JVVFIYGWUKVRQW-UHFFFAOYSA-N 484.021 4.969 50 10 JJGE CC(=O)c1cccc(OCc2cc(C(=O)NNc3ccc(Cl)c(C(F)(F)F)c3)no2)c1 1469866343 QBCAMCRYBRAKHZ-UHFFFAOYSA-N 453.804 4.885 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C1 1614617215 UPIMHWORHJVYGG-CVEARBPZSA-N 453.720 4.995 50 10 JJGE CC(=O)c1cccc(OCCCC(=O)NNc2cccc(OC(F)F)c2Br)c1 1637760299 SCBINOCNKXNALR-UHFFFAOYSA-N 457.271 4.555 50 10 JJGE BrC[C@@H](CN1CCc2cc(Br)c(Br)cc2C1)C1CC1 1655167365 FOMAQWLZGVFNNX-ZDUSSCGKSA-N 452.028 4.991 50 10 JJGE Cc1c(C(=O)NCCc2cccs2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751521 SQSFEYZBIUWOGT-UHFFFAOYSA-N 472.570 4.641 50 10 JJGE CCCc1ccc(OCC(=O)NN=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1 1772752442 MQKFMRVQMQHCIP-UHFFFAOYSA-N 461.949 4.739 50 10 JJGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(O)cc2O)cc1 1865681195 HHFVAXORKNCEOV-QHCPKHFHSA-N 450.498 4.536 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)ccc1OC(C)C 1865697385 RAAGHGVOLQCXAE-HXUWFJFHSA-N 484.478 4.964 50 10 JJGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707042 MJSFSJFRHDZOCA-GOSISDBHSA-N 457.317 4.674 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)c(OC)c1 1865707975 KWRTXQFTYAJAFZ-SFHVURJKSA-N 490.869 4.839 50 10 JJGE N#C/C(=C(/O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2cccs2)cs1 1872750706 OSVLLOHOASSVOP-SSZFMOIBSA-N 466.500 4.649 50 10 JJGE COc1ccc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1OCc1cccc(Cl)c1 1873792475 DRNRDVFPRUVQOD-VATWTLTGSA-N 490.000 4.927 50 10 JJGE ClCc1cccnc1Nc1cc(I)cc(I)c1 1996121295 TXZIPKPEMBCTOU-UHFFFAOYSA-N 470.479 4.773 50 10 JJGE CC(C)CN(CCBr)C(=O)c1ccc(Br)cc1I 2086146752 DZNYUYPIWWBTIQ-UHFFFAOYSA-N 488.989 4.547 50 10 JJGE O=C(NC[C@H](CBr)C1CCC1)c1cc(Br)ccc1Br 2089961853 YTEJNIVQRPLWLY-JTQLQIEISA-N 454.000 4.753 50 10 JJGE O=C(N[C@H](CBr)CC(F)(F)F)c1c(Br)cccc1Br 2094091767 XPRQXSOJWXQHRM-LURJTMIESA-N 467.905 4.657 50 10 JJGE C[C@H]1CCCN(C(=O)c2ccc(Br)cc2I)[C@H]1CCl 2142289445 QHIDCDJWOZKUSP-ZANVPECISA-N 456.549 4.533 50 10 JJGE O=C(NC[C@]1(CBr)CC12CCC2)c1cc(Br)ccc1Br 2154201612 IXEAYZHMHFYGJM-OAHLLOKOSA-N 466.011 4.897 50 10 JJGE CC(C)(CCl)[C@H]1CCCN1C(=O)c1ccc(I)c(Br)c1 2155824563 NBTWVYBUEZKQTI-CYBMUJFWSA-N 470.576 4.923 50 10 JJGE Cc1cc(CCl)cc(S(=O)(=O)N(C)[C@@H]2CC[C@@H]2OCc2ccccc2)c1Br 2156443011 PEEUTRFNZYFTRT-MSOLQXFVSA-N 472.832 4.865 50 10 JJGE O=C(NC[C@@]12CCC[C@]1(CBr)C2)c1ccc(Br)cc1Br 2208039041 ILUMCHXWCCQLLM-CABCVRRESA-N 466.011 4.897 50 10 JJGE O=C(NC[C@@]12CCC[C@]1(CBr)C2)c1cc(Br)ccc1Br 2208039801 NHIXZXZYFHFCMK-CABCVRRESA-N 466.011 4.897 50 10 JJGE COc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2cccc(C)c2C)nc2c(C)cccn2c1=O 2314533153 PCYGLOOTIDQPTL-UHFFFAOYSA-N 480.524 4.966 50 10 JJGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)C(C)=C(C#N)C1=O 2314616853 LCTIEDGJEJBOIJ-GOSISDBHSA-N 476.536 4.641 50 10 JJGE COc1cc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc1OCc1ccccc1F 2328824666 NYXQDTXJWPTDNU-NRFANRHFSA-N 487.572 4.803 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N(C)CCC[C@H](C)Br)cc1Br 2361181126 LEHYKCTUGKELOA-JTQLQIEISA-N 492.071 4.704 50 10 JJGE Cc1ccc2c(c1Br)C(=NNC(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)N2 12578024 AXLMYDLRZVYHNZ-UHFFFAOYSA-N 485.165 4.696 50 10 JJGE CC1=CC[C@@](C(=O)O)(C(=O)N/N=C/C2=C(O)CC(C)(C)CC2=O)C[C@H]1c1ccc(Cl)cc1 20035960 RMIBHHGRVDLZEG-MCDNZVGASA-N 458.942 4.538 50 10 JJGE COc1ccc(C(=O)N/N=C/c2ccc(OC)c(COc3ccc(C(=O)OCC(C)C)cc3)c2)cc1 20615817 CGQIAUOGJBZNIR-MUFRIFMGSA-N 490.556 4.860 50 10 JJGE COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)c1C 22093677 DPQICCOWNGGYOC-YUPBQZPNSA-N 473.573 4.621 50 10 JJGE Cc1cc(Oc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2N)cc(C)c1Cl 40795508 JCWUQFUTRWBAOM-UHFFFAOYSA-N 482.755 4.950 50 10 JJGE CCc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)cc1 40812269 FUTPZZMSMHKQPJ-LHLOQNFPSA-N 461.474 4.748 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccccc2C(C)(C)C)c(OC)c1 40987822 NMJMJNLZJHLJNW-HMMYKYKNSA-N 464.562 4.800 50 10 JJGE C[C@@H](Sc1ccccn1)C(=O)N/N=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 59158106 XWWPRKFFFSYQEG-JDZFCHDFSA-N 485.396 4.936 50 10 JJGE CC1CCC(CCl)(NS(=O)(=O)c2cc(Br)ccc2Br)CC1 96873316 BTMVRCBCXCSNAK-UHFFFAOYSA-N 459.631 4.678 50 10 JJGE CN1C(=O)CCc2cc([C@H](Br)c3csc(I)c3)ccc21 124437076 SDVFHPZDIQNSCQ-HNNXBMFYSA-N 462.150 4.746 50 10 JJGE O=C(NCCCCCI)c1ccc(Br)c(C(F)(F)F)c1 229226882 ZNUMJRXBWADYAM-UHFFFAOYSA-N 464.063 4.803 50 10 JJGE O=c1[nH]c2ccc([C@@H](Br)c3cc(Br)sc3Br)cc2[nH]1 232454413 RKQDSGATPHGWFI-SNVBAGLBSA-N 466.980 4.927 50 10 JJGE COc1ccc(C(C)=NNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1OC 254378277 PMYJORXJTKETID-HHHXNRCGSA-N 489.597 4.632 50 10 JJGE CC(=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1cc(Cl)cc(Cl)c1O 254739469 HZROVCHKJPCVOD-UHFFFAOYSA-N 484.386 4.715 50 10 JJGE COc1cc(C=NNC(=O)c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccc1O 254826362 NYCBCRNPGGNQMM-UHFFFAOYSA-N 472.423 4.828 50 10 JJGE O=C1[C@H]2C[C@H]3[C@H](C[C@H]2[C@H]2CC[C@@H](Br)C[C@@H]12)C(=O)[C@@H]1C[C@H](Br)CC[C@@H]13 256990183 YSGZBGHGHPNQLU-CLIJXGBMSA-N 458.234 4.770 50 10 JJGE C[C@H](Br)C[C@@H]1CCCCCN1C(=O)c1cccc(I)c1 312949062 KFHCOUQCLTUISG-WFASDCNBSA-N 450.158 4.850 50 10 JJGE CCN(C[C@](C)(CI)OC[C@@H]1C[C@H]2CCCC[C@@H]2O1)C(=O)OC(C)(C)C 379016899 AIAMXXZVSOQPDB-YLAKUSLOSA-N 481.415 4.801 50 10 JJGE CC[C@H]1[C@H](CBr)CCN1C(=O)c1ccc(I)c(Cl)c1 386210510 DGWDBUNIBYEALB-GWCFXTLKSA-N 456.549 4.580 50 10 JJGE Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)N2CCC(NC(=O)c3ccoc3C)CC2)c1C 727333030 PSPFZTUJEZEPDQ-XQNSMLJCSA-N 470.573 4.632 50 10 JJGE CN(C(=O)C(C)(C)C)c1ccc(OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1 916963928 GJSFORUCAXEAEQ-FXBPSFAMSA-N 481.556 4.985 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc3oc(=O)ccc3c2)c(-c2ccc(Cl)cc2)n1 918669614 FVWLTEKMKISSQM-PDGQHHTCSA-N 469.888 4.769 50 10 JJGE COc1cc(C=NNC(=O)c2ccccc2NC(=O)c2ccco2)ccc1OCc1ccccc1 1084244006 DGIIWWLHWXATNA-UHFFFAOYSA-N 469.497 4.883 50 10 JJGE CCN(CC)c1ccc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 1084250942 COKCRBLQDPKVAP-CAPFRKAQSA-N 467.411 4.551 50 10 JJGE C=CCc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1ccccc1C#N 1084429352 JGXSFWYTFPXDBS-RGVLZGJSSA-N 450.336 4.623 50 10 JJGE CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@]4(C)[C@@H](C[C@H](Br)[C@@]4(O)C(C)=O)[C@@H]3CC[C@@H]2C1 1565534923 GEVAMMLEIGNEOT-KYEYJVALSA-N 455.433 4.654 50 10 JJGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 1865706569 ZPTNFMCQPLDCMT-QFIPXVFZSA-N 465.469 4.674 50 10 JJGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2)cc1 1865707093 NLMPYVMSXIOGJL-XMMPIXPASA-N 480.524 4.783 50 10 JJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865713334 WSIRMWRTEKXGQJ-DEOSSOPVSA-N 480.524 4.783 50 10 JJGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1csc(I)c1 1914213261 ZAICBTIKIROSFG-NSHDSACASA-N 464.166 4.779 50 10 JJGE O=C(c1ccc(Br)c(O)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915315435 WGYCXIKUWRNPMK-KRWDZBQOSA-N 453.174 4.971 50 10 JJGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1c(F)cc(Br)cc1F 1916334759 KGXYWRMFZAEOOR-CQSZACIVSA-N 477.143 4.780 50 10 JJGE BrC[C@@H]1CCN(c2ncc(I)cc2Br)C12CCC2 2070129761 KOSGYWPEOICRFK-VIFPVBQESA-N 485.989 4.593 50 10 JJGE BrCc1ccc(N2CC[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)cc1Br 2129053463 NHHHSGGUTJWJKB-SFTDATJTSA-N 480.244 4.824 50 10 JJGE CSCC[C@@H](Cl)CCNC(=O)c1ccc(Br)cc1I 2142279165 MSYZLSXQLXUJIJ-JTQLQIEISA-N 476.605 4.534 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1CCC([C@H](F)CBr)CC1 2163246426 QAUMLSQHTNTONW-GFCCVEGCSA-N 474.539 4.530 50 10 JJGE C[C@@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1ccc(CCl)cc1Br 2197753144 MHVJOXMAAVKFNL-FQEVSTJZSA-N 472.832 4.948 50 10 JJGE COc1cc(F)c([C@@H](Br)c2c(C)nn(C)c2Br)cc1Br 2202901776 HLTGWXFLWBHTJK-GFCCVEGCSA-N 470.962 4.886 50 10 JJGE CC[C@H](C)[C@@H](CI)NC(=O)c1ccc(Cl)c(I)c1 2256391975 SANHCEQQQHOPJC-QPUJVOFHSA-N 491.538 4.524 50 10 JJGE CC(C)n1c(CBr)nnc1Cc1cc(Br)cc(Br)c1 2277930874 FXJGJIOAFKPHLN-UHFFFAOYSA-N 451.988 4.870 50 10 JJGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C[C@H]2CC=C(C)C[C@@H]2C)c(OC)c1 2297322153 RMJITTRYQPRBOH-SIKLNZKXSA-N 461.562 4.569 50 10 JJGE CC[C@@H]1[C@@H](Br)CCN1Cc1ccc(I)c(Br)c1 2306219603 OBWIREZTKJCBPB-GXFFZTMASA-N 472.990 4.802 50 10 JJGE CC(=O)c1ccc(-c2ccc(C=NNC(=O)COc3ccc(C(=O)NC4CCCCC4)cc3)o2)cc1 2321697684 BCQJEXKRVYYDIE-UHFFFAOYSA-N 487.556 4.741 50 10 JJGE C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 2328818719 VPERDEKLLOOZAY-AWEZNQCLSA-N 466.365 4.936 50 10 JJGE CC(C)(C)OC(=O)Nc1cccc([S@@](C)(=O)=NC[C@]2(CBr)CC2(F)F)c1 2351885493 KPRAMSBAJBWSRP-AKJBCIBTSA-N 453.349 4.911 50 10 JJGE C[C@H](Br)CN(C1CCCC1)S(=O)(=O)c1cc(Cl)c(Br)s1 2368871692 WECZCWIRTTXEIF-QMMMGPOBSA-N 465.660 4.881 50 10 JJGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1 1888717 FNKMHJUSAUWBBM-QPQMVVSWSA-N 457.530 4.568 50 10 JJGE Cc1cccc(C[C@@H]2S/C(=C(\C#N)C(=O)NCc3ccccc3)N(c3ccc(F)cc3)C2=O)c1 1888735 IRQGJOUBBMAHKZ-BSSRNLCFSA-N 471.557 4.877 50 10 JJGE Cc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 12493576 HBDXPPMKJZTCSD-AFUMVMLFSA-N 453.336 4.866 50 10 JJGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 14038612 GPJDFOQPXIGOJM-SFHVURJKSA-N 479.964 4.649 50 10 JJGE COc1cccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1OCc1ccc(Br)cc1 20274617 ARHQERKAASSJHU-AFUMVMLFSA-N 498.333 4.638 50 10 JJGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2)c1 38650218 LLDJWFDYXVQZKS-VWLOTQADSA-N 456.498 4.921 50 10 JJGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 38654070 AFVMAPCKZFEWHR-XMMPIXPASA-N 491.887 4.759 50 10 JJGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OC)c(OC)c1 38658652 DDWFLHURJHNXOJ-SANMLTNESA-N 486.524 4.930 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)c1OC 38658937 YSIPGCBJQRMNOA-SANMLTNESA-N 486.524 4.523 50 10 JJGE COc1ccccc1NC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2C)nc2ccccn2c1=O 39993067 ZJJXWJOPSWZHQF-XDJHFCHBSA-N 466.497 4.658 50 10 JJGE Cc1ccc(C(=O)NNc2ncnc(Nc3cc(C(F)(F)F)ccc3Cl)c2[N+](=O)[O-])cc1 40583279 PKCFIWUNJFZKTE-UHFFFAOYSA-N 466.807 4.866 50 10 JJGE COc1cc(/C=N/NC(=O)COc2ccc(C)cc2Br)ccc1OCc1ccccc1 40911072 BGUUJCSLFKVUHA-VULFUBBASA-N 483.362 4.874 50 10 JJGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2OC)cc1 98027935 FJACNJJCBWRPEC-DDLVLAMISA-N 487.556 4.818 50 10 JJGE COc1ccc([C@@H](Br)c2ccc(F)cc2I)cc1OC 234982213 UVOBSXOJQJHWBE-OAHLLOKOSA-N 451.073 4.932 50 10 JJGE COc1cc(C=NNC(=O)c2cccc(Br)c2)ccc1Oc1nc(Cl)ncc1F 252628424 SQAYPZZJIZUCBW-UHFFFAOYSA-N 479.693 4.596 50 10 JJGE COc1ccc(CC(=O)NN=C(C)CC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 254761781 JCWFNZIXKOJINL-UHFFFAOYSA-N 459.502 4.667 50 10 JJGE CN(C[C@@H]1CCC[C@H]1Cl)C(=O)c1cc(I)ccc1Br 689330476 IMTNTDNNMSUMJF-TVQRCGJNSA-N 456.549 4.533 50 10 JJGE ClCc1cc2c(I)cc(I)cc2nc1Cl 690370579 DHFXIQFJSXJELN-UHFFFAOYSA-N 463.871 4.836 50 10 JJGE C[C@@H](CC(CBr)(CBr)c1cccc(Br)c1)CS(C)(=O)=O 706477360 HVPUUYCDXWFEKK-NSHDSACASA-N 491.083 4.548 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)c(-c2ccccc2)n1 726783592 CATMEXPLWXYQDF-STZFKDTASA-N 474.528 4.672 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2F)c(-c2ccccc2)n1 729295124 BWEGPLPOSMXXQL-WJDWOHSUSA-N 464.298 4.911 50 10 JJGE C[C@H](Oc1ccccc1Br)C(=O)NN=Cc1ccc(OCc2ccccc2)cc1 1084186158 JNFXDWMONDNTAI-KRWDZBQOSA-N 453.336 4.946 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)N2CCCc3c2cccc3S(C)(=O)=O)c(C)n1-c1ccc(F)cc1 1115936878 CONWMJJXAFTZBP-HMMYKYKNSA-N 477.561 4.523 50 10 JJGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)CCc1ccccc1Br 1865755605 HXGZMPRLOCNCTL-UHFFFAOYSA-N 472.770 4.867 50 10 JJGE N#C/C(=C(/O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2ccccc2)cs1 1872747494 GFTAPUBYOQHRCY-VLGSPTGOSA-N 466.316 4.661 50 10 JJGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CC1CC(Br)C1 1888845509 KVQFNJOMPZWUMW-PVWAMWICSA-N 485.422 4.936 50 10 JJGE N[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@H]1Br 1893143716 GQJFIZVCHXDUKI-VPGXFDHMSA-N 468.834 4.819 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 1902320032 AZOFVTQACBMMJF-OAQYLSRUSA-N 463.710 4.662 50 10 JJGE C[C@H](Br)C(C)(C)CNC(=O)c1ccc(I)c(Br)c1 1913829806 IKAWQUJMKLGOLQ-QMMMGPOBSA-N 488.989 4.593 50 10 JJGE Clc1ncn(-c2cc(I)ccc2Br)c1CBr 1982516784 NEIPLWYURJORDM-UHFFFAOYSA-N 476.337 4.788 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H](Br)C2(CCC2)C1 2046393275 BXLCNYIHNHWPGD-QMMMGPOBSA-N 458.013 4.663 50 10 JJGE C[C@H]1CC[C@H](CBr)N(C(=O)c2cc(Br)c(Br)s2)C1 2048054282 YNZZVURTKNHVPN-JGVFFNPUSA-N 460.029 4.909 50 10 JJGE O=C(Nc1ccc(I)c(Br)c1)[C@@H](Br)C1CCCC1 2048120476 MOCYQUGCVDRSBO-LBPRGKRZSA-N 486.973 4.946 50 10 JJGE CC1(C)[C@@H](CBr)CCN1C(=O)c1c(Br)cccc1Br 2095199827 MPNNTSZKBKVRFV-SECBINFHSA-N 454.000 4.847 50 10 JJGE Cc1ccc(I)c(C(=O)N(CCBr)Cc2ccsc2)c1 2240923851 JISSNYRVLCKORW-UHFFFAOYSA-N 464.166 4.698 50 10 JJGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccc(Cl)cc3)c(Oc3ccc(F)cc3)nc12 2296542738 HAJUQGYNOSNEFA-UHFFFAOYSA-N 495.919 4.926 50 10 JJGE COc1ccc(OC)c(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(C(C)C)cc2)c1 2296826666 AAZCYJNLNOVAOI-UHFFFAOYSA-N 471.557 4.748 50 10 JJGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1csc(Br)c1Br 2310031246 CHCBOYJMVMGORS-HMJBSVBGSA-N 458.013 4.565 50 10 JJGE C[C@@H](Br)CCCN(C)C(=O)c1ccc(I)c(Br)c1 2314463685 ANBNMYDEHSAHIU-SECBINFHSA-N 488.989 4.689 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCc2ccc(F)cc2C2CC2)C1 2317104889 CXZQRNQHOQTGFS-DLBZAZTESA-N 461.315 4.643 50 10 JJGE CC(F)(F)C[C@@H](CBr)NCc1ccc(Cl)cc1I 2318536932 CKIBJEXSLYYZMF-JTQLQIEISA-N 452.508 4.843 50 10 JJGE IC[C@H](OCc1cccc(I)c1)c1ccccc1 2319044485 QSBCKIHHVOXGBC-HNNXBMFYSA-N 464.084 4.984 50 10 JJGE FC(F)(F)[C@@H](CCl)CNCc1ccc(I)c(Br)c1 2325221937 PXDUNRUIKMVQPV-QMMMGPOBSA-N 456.471 4.561 50 10 JJGE Brc1cc(CN2C[C@@H](Br)CCC23CC3)ccc1I 2325228396 HORRUJYNVJDAEE-NSHDSACASA-N 485.001 4.946 50 10 JJGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccccc2[C@@H](C)CC)cc1Br 14041235 PVVZYZBZAZSDSQ-INIZCTEOSA-N 477.399 4.982 50 10 JJGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1C 14661710 BEXKPBWRHBPYBN-UHFFFAOYSA-N 481.637 4.844 50 10 JJGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)c1 38684926 NUPDHFCKCVWONM-CPJLOUKISA-N 474.488 4.815 50 10 JJGE Cc1ccc2nc(Nc3ncnc(NNC(=O)c4cccc5ccccc45)c3[N+](=O)[O-])sc2c1 40650515 GUDWSIMXAXDLNT-UHFFFAOYSA-N 471.502 4.957 50 10 JJGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(C)c2)CCC3)c1 40811309 VTVWSNJXMAXXKK-TURZUDJPSA-N 461.518 4.636 50 10 JJGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242393 XIDPVJMLZAQYRO-FYAMCCBRSA-N 487.581 4.729 50 10 JJGE COc1cc(/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 101337366 LMJXIBPWSQMKKD-MHRHTVJOSA-N 492.959 4.699 50 10 JJGE COc1cc(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc(OC)c1OC 102462833 OLIFPIBKNYBEPS-QINSGFPZSA-N 461.499 4.919 50 10 JJGE C[C@H](N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)[C@H]1C[C@H]2CC[C@H]1C2 253321409 UTQCVMLLJMWEHS-HZYBGFOQSA-N 468.645 4.742 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccccc3O)n2-c2ccc(C)cc2)cc1 254737802 QMTSWRCMCPTATN-UHFFFAOYSA-N 487.585 4.589 50 10 JJGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(OC)cc2)cc1 254815772 DOHXDCJHXRCVDE-UHFFFAOYSA-N 487.585 4.584 50 10 JJGE COCCCOCCOc1c(Br)cc(Br)cc1CBr 381694743 FDGWDPDJTBTEHW-UHFFFAOYSA-N 460.988 4.538 50 10 JJGE CCOc1cccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1O 725426572 RDFWYNJXNSKTMU-WMZOPIPTSA-N 481.330 4.578 50 10 JJGE Cc1csc([C@@H](C)NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)n1 727669510 MHNUBYFEHJSHLH-DISPHTKASA-N 450.955 4.666 50 10 JJGE Cc1nc2ccc(Cl)cn2c1C(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 1083976042 DBZWAJPFWVOVMS-UHFFFAOYSA-N 496.354 4.731 50 10 JJGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 1084080024 GFOPQEQPRKVINB-IBGZPJMESA-N 472.295 4.581 50 10 JJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(F)c(F)c1 1084411600 GDMWCAQYWIRNMQ-AWEZNQCLSA-N 490.967 4.639 50 10 JJGE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 1472473230 MLOCLMDBGDUCDV-QJPKHSJYSA-N 458.436 4.757 50 10 JJGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745424 ZAYBPYDEVFNDIS-UHFFFAOYSA-N 466.881 4.872 50 10 JJGE Cc1ccc(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1Cl 1858686801 DLZJMMSRJIKJGN-CQSZACIVSA-N 470.869 4.969 50 10 JJGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(OCC)c1)C(C#N)=C(N)O2 1865681205 HNDMOZOWCDXKMW-XMMPIXPASA-N 458.562 4.823 50 10 JJGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)cc1OCC 1865690786 BBPGTAGYSKCGAP-KRWDZBQOSA-N 450.461 4.625 50 10 JJGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865695836 HWEXEOKDMWNLNC-IBGZPJMESA-N 485.769 4.833 50 10 JJGE C[C@](CCl)(CI)OCc1cc(I)ccc1Cl 1904943231 UJLRWIPMCYAFDC-NSHDSACASA-N 484.930 4.894 50 10 JJGE CC1(C)CN(C(=O)c2cc(Br)cc(Br)c2)C[C@H]1CBr 1914531671 ODYPOSXJKVPYJB-SNVBAGLBSA-N 454.000 4.705 50 10 JJGE COC(CBr)(CBr)Cc1ccc(Cl)c(Br)c1F 2001882177 IBRVUXHSRLLZKR-UHFFFAOYSA-N 453.371 4.959 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@@H]2CC[C@H](C1)C2Br 2048825186 KOECKZKPWJNFFC-AVSFMBPQSA-N 458.013 4.519 50 10 JJGE CCn1ncc(Br)c1[C@@H](Br)c1cc(Br)ccc1OC 2094270835 HUVSHBDBDCOPMD-LBPRGKRZSA-N 452.972 4.921 50 10 JJGE CC1(C)[C@H](CBr)CCN1C(=O)c1cc(Br)cc(Br)c1 2095212562 KVPWOPKCHQVCRU-JTQLQIEISA-N 454.000 4.847 50 10 JJGE BrC[C@@H]1CN(Cc2ccc(Br)cc2Br)CC2(CCC2)O1 2165762202 BSIUTBAODNPEHW-CYBMUJFWSA-N 468.027 4.730 50 10 JJGE Cc1nn(CCCBr)c(C)c1S(=O)(=O)N(Cc1ccccc1)[C@H](C)C(C)C 2179825052 CCCFURDZRPXOSJ-QGZVFWFLSA-N 456.450 4.520 50 10 JJGE Cn1cc([C@@H](Br)c2c(F)cc(F)c(Br)c2F)c(Br)n1 2227809868 ZVCKXKLQOOXQFO-MRVPVSSYSA-N 462.889 4.847 50 10 JJGE Cc1ccc(C(=O)NC[C@H]2CCCC[C@@H](Br)C2)cc1I 2232828643 SDQNYBLOXNFKRR-GXTWGEPZSA-N 450.158 4.673 50 10 JJGE Cc1ccc(C(=O)N2CCC(CCCBr)CC2)cc1I 2232831606 SYKKXIPXGIBRTF-UHFFFAOYSA-N 450.158 4.627 50 10 JJGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C[C@H](Br)C1 2242404601 HCVUGDKTBDMMOQ-CFLDLGCGSA-N 485.422 4.982 50 10 JJGE CS(=O)(=O)[C@H]1C[C@H]([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)C1 2288350524 AEVCBJSELVLFEF-BVMVBECYSA-N 452.542 4.593 50 10 JJGE Cc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O 2296719420 OBRVOSDOGIEOMR-UHFFFAOYSA-N 456.889 4.994 50 10 JJGE CC(C=CC=Cc1ccccc1)=NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2297451136 VBJBUXRYMVWCGM-UHFFFAOYSA-N 479.536 4.948 50 10 JJGE COc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 2314737286 VWHUKLQVHPFLSU-UHFFFAOYSA-N 498.535 4.555 50 10 JJGE COC[C@]12C[C@]([C@@H](Br)c3sc(Cl)cc3I)(CO1)C2 2316597150 OCKAREAHSXMTCV-SRVKXCTJSA-N 463.562 4.638 50 10 JJGE CCCOc1c(Cl)cc(C=NNC(=O)c2cccn(Cc3ccccc3)c2=O)cc1Cl 2323641606 HIRZIANKKNOBQE-UHFFFAOYSA-N 458.345 4.756 50 10 JJGE O=S1(=O)C[C@@H]2[C@H]([C@H](Cl)c3c(Cl)cc(Br)c(F)c3Br)[C@@H]2C1 2362233750 AOIGRBSZPWHMCH-JHMDGNCFSA-N 466.981 4.575 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCCS(=O)(=O)C1 2365218949 FWLBUNPGPHXQQW-KWQFWETISA-N 493.030 4.920 50 10 JJGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1 38677249 OJWTXMVKFMFLSO-PUAOIOHZSA-N 458.489 4.979 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)cc1 38685942 DEBKHPZPGQXHHC-VWLOTQADSA-N 456.498 4.921 50 10 JJGE C#CCOc1c(Br)cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1CC=C 58895242 ILOAXRDJOMLBLN-WCFTWNFSSA-N 499.405 4.552 50 10 JJGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccccc2)cc1I 59148232 ZTMOMJRKDVCAJG-AFUMVMLFSA-N 481.293 4.506 50 10 JJGE CCOC(=O)c1ccccc1NC(=O)[C@H](Br)[C@H](Br)c1ccccc1 101642809 COJIMHIKKDVVEW-HZPDHXFCSA-N 455.146 4.702 50 10 JJGE CC(C)(C)c1ccc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 254292802 UOCFLBCFRHQIBI-ABYCAZMJSA-N 469.541 4.634 50 10 JJGE COc1cc(C=NNC(=O)CSCc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 254865227 AQBSTUNZNYTDIM-UHFFFAOYSA-N 465.531 4.566 50 10 JJGE Cc1ccc(C)c(N(CC(=O)NN=Cc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1 1084047936 HMFKCYPWAXDBPT-UHFFFAOYSA-N 489.519 4.668 50 10 JJGE CC(=O)N1CCC[C@H](CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc4ccccc34)c2C)C1 1586568998 UEMGHMIFKCRDBL-OOEUXUOGSA-N 454.574 4.529 50 10 JJGE COc1ccccc1/C(C#N)=C/c1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 1615099426 YPVKTERGUPDHJM-LVZFUZTISA-N 466.493 4.741 50 10 JJGE CC(=O)N(Cc1ccc(NC(=O)NNC(=O)c2cc3c(s2)CCCCCC3)cc1)C(C)C 1667064793 TWAOORXOHLUCKX-UHFFFAOYSA-N 456.612 4.631 50 10 JJGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccccc1 1865694124 UMWSJEHTTSJHDQ-GOSISDBHSA-N 470.451 4.907 50 10 JJGE CCc1nn(CC(C)C)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698495 VKCWJCUIXJRPNZ-LJQANCHMSA-N 489.414 4.878 50 10 JJGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707205 QMFAAFUPFPZBOT-OAQYLSRUSA-N 464.953 4.778 50 10 JJGE CCCC[C@H](NC(=O)c1cc(C2CC2)n2nc(C3CC3)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867176311 YQRXSSBLMDOSHZ-FQEVSTJZSA-N 488.617 4.985 50 10 JJGE N#C/C(=C(/O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccccc2)cs1 1872747758 SJRLKKFAOBOWPQ-MNDPQUGUSA-N 460.471 4.587 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@]2(CCC[C@@H]2Br)C1 1918940891 SDASBTRCKKVMJO-DZGCQCFKSA-N 466.011 4.991 50 10 JJGE O=C(NC[C@H]1CC[C@H](CBr)CC1)c1cc(Cl)ccc1I 1922704443 QBTFPTSZNDNPSQ-XYPYZODXSA-N 470.576 4.876 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNCCC1CCN(C(=O)OC(C)(C)C)CC1 1985349785 GEETVMUGLARBEC-UHFFFAOYSA-N 463.710 4.519 50 10 JJGE N#CC(=C1C(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccc(Cl)cc21)c1nc2ccccc2[nH]1 2040465288 HEUYTICVORTTPG-UHFFFAOYSA-N 471.879 4.775 50 10 JJGE O=C(N[C@H]1CC[C@H](CBr)CC1)c1cccc(Br)c1Br 2118466928 APKGSXGNKAWBSG-MGCOHNPYSA-N 454.000 4.895 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CCC[C@H](CCl)CC1 2142284760 HNBOCTAPBNKARM-JTQLQIEISA-N 456.549 4.535 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@@H]2C[C@H](Br)CC[C@H]21 2150493573 BLTONQWRXOLXBV-GIPNMCIBSA-N 466.011 4.990 50 10 JJGE O=C(NC1(CCl)CC2(CCC2)C1)c1cc(Br)ccc1I 2163546512 IAMPWXGIERSECI-UHFFFAOYSA-N 468.560 4.725 50 10 JJGE O=C(NCC[C@H]1CCCC[C@H]1Br)c1cc(I)ccc1F 2179625648 BUGSCHDXEMBFCJ-ZWNOBZJWSA-N 454.121 4.504 50 10 JJGE O=S(=O)(c1cc(F)c(Cl)c(CBr)c1)N1CCC(OCc2ccccc2)CC1 2179862599 YNVRPKCDUNZJHW-UHFFFAOYSA-N 476.795 4.744 50 10 JJGE Cc1cc(C(=O)N(C)[C@H]2CCCCC[C@H]2Br)ccc1I 2207105984 WAQGVWPEJQFETE-HIFRSBDPSA-N 450.158 4.768 50 10 JJGE CC1(C)OCCO[C@H]1[C@H](Br)c1cc(Br)c(Br)cc1F 2225616178 CZVUZLIFSZEIHV-NEPJUHHUSA-N 460.963 4.981 50 10 JJGE C[C@@H](Cl)CCCc1cn(-c2ccc(Br)cc2I)nn1 2231620604 KLERUBZZOQKWDO-SECBINFHSA-N 454.537 4.584 50 10 JJGE Cc1ccc(I)c(C(=O)N[C@@H]2C[C@@H](Br)CC(C)(C)C2)c1 2240924097 JYBYATCOWXSQAJ-VXGBXAGGSA-N 450.158 4.672 50 10 JJGE COc1ccc(OC)c(C=C(NC(=O)c2ccccc2)C(=O)NN=CC(C)=Cc2ccccc2)c1 2296826834 YMTRVZUKTUDCSG-UHFFFAOYSA-N 469.541 4.680 50 10 JJGE O=C(NN=C1C(=O)N(CC=Cc2ccccc2)c2ccccc21)c1ccc(Br)cc1 2313644470 KNYHIDBXABODMK-UHFFFAOYSA-N 460.331 4.643 50 10 JJGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314592937 DTFIGCSZTKMLMU-XMMPIXPASA-N 487.556 4.577 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@@]2(CBr)CC[C@H]1C2 2314878451 USLIUQKIWDUIOD-MADCSZMMSA-N 458.013 4.663 50 10 JJGE Cc1ccc(-c2csc(C(C#N)=C(O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c(C)c1 2331310975 AVLUAHYGGCUWEG-UHFFFAOYSA-N 474.498 4.814 50 10 JJGE Cl[C@H]1CCC12CC(CNCc1ccc(I)c(Br)c1)C2 2349833116 QPUDAMGQSKIQGR-WPBUFGDCSA-N 454.577 4.941 50 10 JJGE Fc1cc(CBr)c(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1Cl 2362411552 HKKMDOREHUAPDQ-LEWJYISDSA-N 453.783 4.854 50 10 JJGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1cc2c(cc1Br)OCC2 2364063226 HCZXRTSSBRGYDK-NSHDSACASA-N 485.401 4.971 50 10 JJGE CN(C[C@H]1C[C@@H](Br)C1)[C@@](C)(C(=O)O)c1cc(Br)c(Br)s1 2378154965 MZIKGLKYFMHVGQ-BFHDXFOESA-N 490.055 4.678 50 10 JJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C/c3ccc(F)cc3)cc2)cc1 12493105 FZNZQOQMYPFXNA-UBKPWBPPSA-N 459.521 4.850 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C)c(Br)c2)cc1 14025619 DUAIKPJQLUMBRL-UHFFFAOYSA-N 492.439 4.666 50 10 JJGE COc1ccc(CC(=O)Oc2ccc(/C=C(/C#N)c3ccccc3OC)cc2OC)cc1OC 31902017 WHGNAJZVZOIRFT-MOSHPQCFSA-N 459.498 4.933 50 10 JJGE Cc1nn(-c2ccccc2)c(C)c1/C=C(/C#N)C(=O)OCC(=O)Nc1ccc2ccccc2c1 33504534 MAFVAMCUBPWDFO-JCMHNJIXSA-N 450.498 4.731 50 10 JJGE O=C(NNC(=O)c1ccc(-c2nc3ccccc3s2)s1)c1ccc(Br)cc1 35553747 JKAZJHAAEASOKE-UHFFFAOYSA-N 458.362 4.862 50 10 JJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1 38650633 UGKZHCGNDRBURS-XMMPIXPASA-N 471.469 4.821 50 10 JJGE O=C(NNc1ncnc(NC2CCCCCC2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40659378 OGYMXZSNERBEPV-UHFFFAOYSA-N 460.538 4.795 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1cc(C)cc(C)c1C 40870101 PVMCZIXKLZECBC-ZVHZXABRSA-N 484.552 4.828 50 10 JJGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)SCc3ccccc3)cc2)cc1 59153897 LLIRKZJJWQLXFU-DUYBAWCLSA-N 468.600 4.535 50 10 JJGE COc1ccc(-c2nn(Cc3ccccc3F)cc2/C=C(/C#N)C(=O)NCc2ccco2)cc1OC 96504288 VAWJVWWZDDTWTE-NDENLUEZSA-N 486.503 4.571 50 10 JJGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(CC)cc1 101241500 VMUHZOLUXSTMFU-SSXUBFHHSA-N 485.531 4.996 50 10 JJGE CO[C@H]1O[C@H](CO[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 196221474 UIDVFSCIFIMDHO-SPOLIRPYSA-N 482.915 4.870 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H](Br)C1)c1ccc(I)c(Cl)c1 227754399 RXZUMUXJPKHNLW-MWLCHTKSSA-N 456.549 4.628 50 10 JJGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C(C)/C=C/c2ccccc2)cc1OC 254816388 MPPFEAPKGKNHLG-TXOKXYNFSA-N 469.541 4.680 50 10 JJGE ClCCc1nc2cc(Br)cnc2n1CCCOCCOCc1ccccc1 390673494 WIYNWCCXZQQSSQ-UHFFFAOYSA-N 452.780 4.599 50 10 JJGE C[C@H]1CN(c2ncc(C(F)(F)F)cc2I)C[C@]1(C)CBr 686112750 UORZMWJPJULYHL-UFBFGSQYSA-N 463.079 4.562 50 10 JJGE O=C(NN=C1C(=O)N(CCOc2ccccc2)c2ccccc21)c1ccc(Cl)cc1Cl 1084334440 QQGRWTZBIINBGI-UHFFFAOYSA-N 454.313 4.553 50 10 JJGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(O)cc2)CCC3)ccc1Cl 1772744473 DSEUFVFSIYFLFM-UHFFFAOYSA-N 452.894 4.945 50 10 JJGE Cc1c(C(=O)N2CCCC2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748686 MYFROIMRWAWQDX-UHFFFAOYSA-N 455.558 4.813 50 10 JJGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)c1 1865690371 PMRVOPQYQBAFRS-HXUWFJFHSA-N 465.351 4.814 50 10 JJGE Cc1c(/C(O)=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1872747130 ORQSYYWHUXJOGV-SDXDJHTJSA-N 453.392 4.793 50 10 JJGE O[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]1Br 1877357057 ZQFLFMBYZKKTLF-SAMGZKJBSA-N 469.818 4.852 50 10 JJGE CC[C@H]1CN(CC(C)(C)CI)[C@H](CC)CN1C(=O)OCc1ccccc1 1904654328 WJOBUGCDSFCRBD-MOPGFXCFSA-N 472.411 4.959 50 10 JJGE Cc1cccc(C(=O)N[C@H](CBr)CC2CCCC2)c1I 1926727764 LFDRKTGAXGJURU-ZDUSSCGKSA-N 450.158 4.673 50 10 JJGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)CC1(CBr)CCOCC1 1955953643 RWFRZAOVKNKKPF-UHFFFAOYSA-N 455.437 4.595 50 10 JJGE Br[C@@H](c1cc(I)cc2c1OCC2)C1(Br)CC1 1980153208 YHUWILKAPCPAEW-NSHDSACASA-N 457.931 4.590 50 10 JJGE C[C@H]1CN(C(=O)c2cc(Br)c(Br)s2)CC[C@@H]1CBr 2046678384 GKVWUEVJAFIYGI-JGVFFNPUSA-N 460.029 4.766 50 10 JJGE CN(c1ncc(I)cc1Br)[C@H]1CCCCC[C@H]1Br 2069528678 LBACBYKTWTUGCW-PWSUYJOCSA-N 488.005 4.981 50 10 JJGE COC[C@H](C)OC[C@@H](Br)CCc1c(Br)cccc1Br 2099443032 NAXHXJMHCIGFGI-QWRGUYRKSA-N 459.016 4.959 50 10 JJGE CC1(C)C[C@H](CBr)CN1C(=O)c1cc(Cl)ccc1I 2127825235 ZHSYDFLUHRPXOP-SECBINFHSA-N 456.549 4.580 50 10 JJGE O=S(=O)(c1ccc(CCl)c(Br)c1)N1CCC[C@H](OCc2ccccc2)C1 2129829075 XWXJYTCJUNKVFG-KRWDZBQOSA-N 458.805 4.558 50 10 JJGE C[C@H]1CN(C(=O)c2cc(Br)ccc2I)CC[C@H]1CCCl 2172479539 ZPDFJAGPCHICQK-WDEREUQCSA-N 470.576 4.781 50 10 JJGE O=C(NCC[C@@H]1CCCC[C@@H]1Br)c1cccc(F)c1I 2179629639 NJXYBJWRMYLTDJ-JQWIXIFHSA-N 454.121 4.504 50 10 JJGE Fc1cc(Br)cc(N2CC[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1CBr 2185516299 VFZWVLJGBZGSDL-RTWAWAEBSA-N 498.234 4.963 50 10 JJGE CC(=NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1)c1ccc2c(c1)CCCC2 2294606598 BMPBGXIGDBBNQS-UHFFFAOYSA-N 481.552 4.605 50 10 JJGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1F 2313566803 APTQFYMGWCUCMI-UHFFFAOYSA-N 471.532 4.669 50 10 JJGE COC(=O)COc1ccc(Br)cc1C=C(C#N)C(=O)Nc1cccc(Cl)c1Cl 2313570910 IXYBHZRETVODQB-UHFFFAOYSA-N 484.133 4.853 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@@]2(CBr)CC[C@H]1C2 2314884852 CLTYXPYVLGFUNV-MADCSZMMSA-N 458.013 4.663 50 10 JJGE COc1cc(C(=O)N[C@@H](CCBr)COCc2ccccc2)ccc1Br 2320360521 GWEXXSKHXPSTEP-INIZCTEOSA-N 471.189 4.558 50 10 JJGE Brc1cc(CN2C[C@H]3CC[C@H]2C[C@@H]3Br)ccc1I 2325230598 TYPZILVQTJKUCY-WOPDTQHZSA-N 485.001 4.802 50 10 JJGE CC(C)(CI)CN1C[C@@H](CNC(=O)OC(C)(C)C)Cc2ccccc21 2326672017 IRVNWIQPLWRAQT-OAHLLOKOSA-N 458.384 4.651 50 10 JJGE COc1cc(C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1 2331030614 OXEWQMZRZQQCDM-UHFFFAOYSA-N 482.945 4.704 50 10 JJGE CC(C)[C@@H](Br)c1cn(Cc2ccc(Cl)cc2I)nn1 2341028988 AMLKXMCEPDASSI-CYBMUJFWSA-N 454.537 4.676 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2CC[C@H]1[C@@H](Br)C2 2349960630 PKHRBLIKXKKUPZ-HJIKLVIJSA-N 451.984 4.600 50 10 JJGE Cc1ccc(N2C(N)=C(C#N)[C@]3(C(=O)N(C)c4ccccc43)C3=C2CC(C)(C)CC3=O)cc1Cl 8437705 WXFXGTNDFBIOQB-MHZLTWQESA-N 472.976 4.720 50 10 JJGE CCCOc1ccc(C(=O)NNC(=O)COc2ccccc2[C@@H](C)CC)cc1Br 14647232 XYRQYYRNJSZTNN-HNNXBMFYSA-N 463.372 4.591 50 10 JJGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCC(C)C)cc1 14667022 NMQYQKYXHHYTIR-UHFFFAOYSA-N 490.398 4.687 50 10 JJGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(Cl)cc3C)cc2)cc1OC 33959258 CRHBCEJNHIALGU-HVAQTUQNSA-N 496.947 4.802 50 10 JJGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)c1 39858858 DPVWYPJDACINJY-JXAWBTAJSA-N 454.461 4.788 50 10 JJGE COc1ccccc1NC(=O)/C(C#N)=C/c1c(Oc2cc(C)cc(C)c2)nc2c(C)cccn2c1=O 39993053 OMLYOIWINCLBGX-HMMYKYKNSA-N 480.524 4.966 50 10 JJGE O=C(NNc1ncnc(Sc2cccc3cccnc23)c1[N+](=O)[O-])c1ccccc1Br 40658414 PAYXMUPOPLLOMX-UHFFFAOYSA-N 497.334 4.604 50 10 JJGE Cc1cccc2sc(Nc3ncnc(NNC(=O)COc4ccc(Cl)cc4Cl)c3N)nc12 40783490 BENLSGBQVMSHLD-UHFFFAOYSA-N 490.376 4.549 50 10 JJGE COc1cc(OC)c(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2N)cc1Cl 40793457 JNSYGCGIIQGZLW-UHFFFAOYSA-N 483.743 4.537 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cccc(Br)c1 40926398 WGDWPSBSNXCZHX-WOJGMQOQSA-N 495.329 4.883 50 10 JJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2c(C)cc(Br)cc2C)cc1 40989023 FTXCMNGVHBUHCL-CPNJWEJPSA-N 485.378 4.874 50 10 JJGE Cn1c(=O)n(C)c2cc([C@@H](Br)c3sccc3Br)c(Br)cc21 111536820 MNLPRRVATQHTHL-GFCCVEGCSA-N 495.034 4.948 50 10 JJGE O=C(NC[C@@H]1CCC[C@@H]1CBr)c1cc(Br)c(Br)s1 126435377 AMNLVNBHNGXHOS-SFYZADRCSA-N 460.029 4.814 50 10 JJGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\NCc1ccccc1Br 217241196 XFLMVSSIMKXWPM-ICFOKQHNSA-N 456.340 4.542 50 10 JJGE O=C(NCCCCCI)c1cc(Br)c(Br)s1 229233021 DEGYGKAIIPIYGZ-UHFFFAOYSA-N 480.991 4.608 50 10 JJGE O=C(NN=Cc1ccccc1OC(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 252634860 WSELYWMXXMFNSI-UHFFFAOYSA-N 463.493 4.922 50 10 JJGE Cc1ccsc1C=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 254605825 BZBQTOMJFOJJPG-UHFFFAOYSA-N 494.667 4.938 50 10 JJGE COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Cl)cc2Cl)c1 254710376 DXNIMLZARDLOPF-DYUJUIFCSA-N 498.366 4.932 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(Cl)cc2O)C1 382675622 PGJFQEYZVIOUPH-PBHICJAKSA-N 471.722 4.833 50 10 JJGE ClCCc1nc2cccnc2n1-c1ccc(I)c(Br)c1 383519862 HNWGORGXKSONTG-UHFFFAOYSA-N 462.516 4.569 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N[C@@H](CBr)C(C)(C)C)cc1Br 393989386 PQQLXUYULNTWSH-LBPRGKRZSA-N 492.071 4.608 50 10 JJGE C[C@@H]1C[C@H](CBr)CN(C(=O)c2ccc(Br)cc2Br)C1 398839842 UBODUASEWOFBAB-NXEZZACHSA-N 454.000 4.705 50 10 JJGE C[C@H]1CC[C@@H](CBr)CN1C(=O)c1ccc(I)c(Cl)c1 688706020 PHSSBDDLUOPKKC-UWVGGRQHSA-N 456.549 4.580 50 10 JJGE Cc1cc(C=NNC(=O)c2ccccc2Br)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1084414291 VKYQYSIIULONLG-UHFFFAOYSA-N 474.742 4.972 50 10 JJGE C/C(=C\C(=O)NNC(=S)Nc1cccc(Br)c1)c1cccc(C(F)(F)F)c1 1463780275 KYJFRUMZXIDDFP-DHZHZOJOSA-N 458.303 4.889 50 10 JJGE CCOc1cc(C=NNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc(Br)c1O 1772755860 HIBODHDOBKQSQD-CYBMUJFWSA-N 469.763 4.741 50 10 JJGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(O)cc2O)cc1 1865681194 HHFVAXORKNCEOV-HSZRJFAPSA-N 450.498 4.536 50 10 JJGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)cc(OC)c1O 1865696128 JZNRIIFGSKLFMT-GOSISDBHSA-N 481.350 4.655 50 10 JJGE Cc1ccc(S(=O)(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1 1872758350 WPYPYPHIMTUZKU-SQFISAMPSA-N 451.982 4.605 50 10 JJGE CCOC(=O)C(C#N)=C1C(=Cc2ccc(C(=O)OC)cc2)CCC1=Cc1ccc(C(=O)OC)cc1 2053624660 QJGQZEVTVRLXHU-UHFFFAOYSA-N 471.509 4.904 50 10 JJGE CC[C@H](C)[C@H](Br)CNC(=O)c1ccc(Br)cc1I 2086145001 HRROGWNQPSVYPW-GZMMTYOYSA-N 488.989 4.593 50 10 JJGE C[C@@H](Br)[C@@H](NCc1ccc(I)c(Cl)c1)C(F)(F)F 2086655333 NBSNEVZCOBDZTF-LHLIQPBNSA-N 456.471 4.749 50 10 JJGE ClCc1nc2cc(I)ccc2n1[C@@H]1CCOC[C@H]1OCc1ccccc1 2090340204 OWKWIEWNHJJXLH-RTBURBONSA-N 482.749 4.927 50 10 JJGE O=C(NC[C@H]1CCC[C@@H]1CBr)c1c(Br)cccc1Br 2094088847 PRUIHLHCFIFXIP-NXEZZACHSA-N 454.000 4.753 50 10 JJGE CN(C(=O)c1cc(Cl)ccc1I)C1(CBr)CCCC1 2113806563 IGTLLEDHPOGIGE-UHFFFAOYSA-N 456.549 4.724 50 10 JJGE O=C(N[C@H](CCl)c1cccs1)c1cc(Br)ccc1I 2119048866 YXHXDPCWCFEAET-LLVKDONJSA-N 470.557 4.825 50 10 JJGE O=C(NC[C@H]1C[C@@H](Cl)C12CCC2)c1ccc(I)c(Br)c1 2172238949 WGYYMDCTGIFWHH-ZWNOBZJWSA-N 468.560 4.581 50 10 JJGE BrCC(CBr)(CC1COCCOC1)c1cccc(Br)c1 2187991804 IVRLVIAUTJCCMU-UHFFFAOYSA-N 471.027 4.530 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC1(C)C2CC3CC(C2)CC1C3 2259065601 JZIZEMLNRGTKHT-LEWGMDFTSA-N 463.400 4.936 50 10 JJGE COc1ccc([C@H](Br)CCOCC(F)(F)F)cc1I 2269546984 TXMVVDACMVRWMU-SECBINFHSA-N 453.036 4.705 50 10 JJGE COC(=O)C(C#N)=Cc1cc(Br)c(OCc2ccc(Br)cc2)c(OC)c1 2297576563 NCPXKKLUNJHABE-UHFFFAOYSA-N 481.140 4.879 50 10 JJGE CCN(C[C@@](C)(CI)OC[C@](C)(F)C(C)(C)F)C(=O)OC(C)(C)C 2307651177 APZPICWQMPRTAG-SJORKVTESA-N 463.347 4.930 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N2CCOCC2)cc1Cl 2314476655 SQQPFBOWVPPABD-UHFFFAOYSA-N 476.964 4.747 50 10 JJGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCN4CCOCC4)c(OC)c3)n2)cc1C 2331429986 BKQPEVNSILDKIO-UHFFFAOYSA-N 491.613 4.911 50 10 JJGE Clc1ccc(CN2C[C@@H]3CCC[C@]3(CBr)C2)c(I)c1 2341005378 NKXNQDDPQGLRCW-WFASDCNBSA-N 454.577 4.942 50 10 JJGE Clc1nccc(N2CCC[C@]3(CN(Cc4ccccc4)CCO3)C2)c1CBr 2370827204 HOHNFYFOYCVRLF-NRFANRHFSA-N 450.808 4.501 50 10 JJGE COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)c1OCc1ccc(C)cc1 32520653 NNSYUOLNGNGANC-VULFUBBASA-N 460.559 4.701 50 10 JJGE O=C(NNc1ncnc(Sc2ccccc2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40650120 MFXBOCKRNXZAQN-UHFFFAOYSA-N 457.515 4.811 50 10 JJGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@@H]1CSCCS1 229627996 ZKVZJZOJZUFQML-RKDXNWHRSA-N 456.777 4.928 50 10 JJGE O=C(N[C@@H]1CCCC[C@H]1CBr)c1cc(Br)sc1Br 231607910 LBQYFZALSRTQCE-IONNQARKSA-N 460.029 4.957 50 10 JJGE CN(C)c1ccc(/C=C(\NC(=O)c2cccc(F)c2)C(=O)NN=Cc2cccc3ccccc23)cc1 252617377 KRLVKVAVQOMUTC-ZSMJXQCBSA-N 480.543 4.966 50 10 JJGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2ccco2)cc1 254588578 DJLBYRVHZBOAGB-UHFFFAOYSA-N 473.554 4.747 50 10 JJGE C[C@H]1[C@@H](CBr)CCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 395177744 UDQHEZPTFBWYQV-JGVFFNPUSA-N 466.022 4.550 50 10 JJGE C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@]1(OC(=O)c1ccco1)C(=O)CCl 575627184 PGAGVJAYRDPYKY-SSQPXKIWSA-N 484.976 4.668 50 10 JJGE CN(C[C@H]1CCC[C@@H]1Br)C(=O)c1ccc(I)c(Cl)c1 689219579 RFCBIDMKLGUTBZ-MNOVXSKESA-N 456.549 4.580 50 10 JJGE Cc1ccc(NC(=O)COC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1F 782086306 CPMLROVUNMXJDO-WQRHYEAKSA-N 491.910 4.654 50 10 JJGE Cc1cc(C)nc(SCC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)n1 1084230824 LGIWODAHTOKAME-UHFFFAOYSA-N 472.412 4.506 50 10 JJGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1 1084374571 WXDYUKLWXSLHKA-UHFFFAOYSA-N 493.563 4.995 50 10 JJGE CCN(CC)c1c(C=NNC(=O)CNc2cccc3ccccc23)c(C)nn1-c1ccccc1 1084464955 ACQSAUBMNVYRLG-UHFFFAOYSA-N 454.578 4.742 50 10 JJGE C=CC[C@]1(C(=O)NNc2ccc(Br)cc2Cl)CCCN1C(=O)OC(C)(C)C 1468630207 ZNGFBLKHGPOCEY-LJQANCHMSA-N 458.784 4.891 50 10 JJGE C=CCn1c(SCC(=O)NN=C(c2ccccc2)c2ccccc2)nnc1-c1cccs1 1652706893 LCGXRBHJQUAWIN-UHFFFAOYSA-N 459.600 4.854 50 10 JJGE Cc1c(C(=O)N2CCCCCC2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772746276 DDKOUZPTJKXFGK-UHFFFAOYSA-N 485.400 4.594 50 10 JJGE Cc1c(C(=O)Oc2ccc(F)cc2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772749029 IZLOOXZCBNNGMD-UHFFFAOYSA-N 498.326 4.936 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)cc1OCC 1865689354 QGILHDBUQNFOGR-HSZRJFAPSA-N 462.525 4.648 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865709931 KJSLXWYVHWJENN-XMMPIXPASA-N 482.515 4.973 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)C[C@H]2CC(=O)c3ccccc32)cc1 1867234121 DDBCJVNUGIGPOH-KOSHJBKYSA-N 487.556 4.825 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCN4CCOCC4)c(OC)c3)n2)cc1 1872780549 CCLQRAUVANBCBS-RCCKNPSSSA-N 477.586 4.602 50 10 JJGE C[C@H](NC(=O)c1csc(Br)c1Br)[C@@H]1CCC[C@H]1Br 2048890627 GQSUOSONFPZNCV-ACLDMZEESA-N 460.029 4.955 50 10 JJGE C[C@@H]1C[C@@H](Br)[C@@H](C)N(C(=O)c2cc(Br)sc2Br)C1 2220342549 AKHQJZOYFIUGKD-ZXFLCMHBSA-N 460.029 4.907 50 10 JJGE Cc1ccc(C(=O)N2CCCC[C@@H]2C[C@@H](C)Br)cc1I 2232830581 ZHRRBSHWMGUSDD-TZMCWYRMSA-N 450.158 4.768 50 10 JJGE Cc1cc(Br)c([C@H](Br)[C@@H]2CO[C@H]3COC[C@H]23)c(C)c1Br 2235598832 JQAKTMZCAFISEU-DSKWVYQCSA-N 469.011 4.926 50 10 JJGE CN(C(=O)c1ccc(Cl)c(I)c1)[C@@H](CBr)CC1CC1 2268341948 FRHMRROHMFJURN-LLVKDONJSA-N 456.549 4.580 50 10 JJGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1 2297564418 UCYAGGZJJZUNRZ-UHFFFAOYSA-N 478.017 4.886 50 10 JJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)C=Cc1cccc2ccccc12 2313616913 VPQAYNOROBHOLW-AWEZNQCLSA-N 488.396 4.649 50 10 JJGE CC(C)(C)c1ccc(Cn2cccc(C(=O)NN=Cc3ccc(C(F)(F)F)cc3)c2=O)cc1 2323662156 BOCFUBWFSVOSSZ-UHFFFAOYSA-N 455.480 4.977 50 10 JJGE COc1ccc(CCNC(=O)C(C#N)=CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 2324787959 INQDOMSQWFJAAO-UHFFFAOYSA-N 457.374 4.911 50 10 JJGE CCOc1ccc(CCNC=C(C#N)C(=O)N[C@H](C)c2cc(C)ccc2OCC)cc1OCC 2325074287 YZYQTCPTKOEZCN-HXUWFJFHSA-N 465.594 4.608 50 10 JJGE COc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1I 12573649 KWFNFQFUTMRJIJ-ZVHZXABRSA-N 486.309 4.643 50 10 JJGE O=C(CCCCl)Nc1ccc(N2CCCC2)c(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c1 34919369 WFEZFJUZQWKUAC-OAQYLSRUSA-N 476.042 4.600 50 10 JJGE CCCOc1ccc(/C=C(\C#N)C(=O)Oc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 40948083 CTLLQQSUZBILMP-XDJHFCHBSA-N 452.466 4.789 50 10 JJGE O=C(NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 59502027 KDOVEMDATATEFM-PHEQNACWSA-N 458.430 4.721 50 10 JJGE COc1cc(/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 101334056 NMRYWPITMHIHSS-YBFXNURJSA-N 450.922 4.928 50 10 JJGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 101338200 CBZSNDVQPZGZDH-RCCKNPSSSA-N 453.454 4.690 50 10 JJGE O=C(N/N=C1/C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21)c1ccc(F)cc1 103707822 AUKUTMINUDEGCC-VEWQFJOQSA-N 492.554 4.966 50 10 JJGE CCC(CC)(CBr)NC(=O)c1cc(Br)ccc1I 232851151 MWBDSDOAFGQEFT-UHFFFAOYSA-N 488.989 4.737 50 10 JJGE O=c1[nH]c2ccc([C@@H](Cl)c3cc(Br)ccc3I)cc2[nH]1 236048674 MJRHSBNUBRVHIV-CYBMUJFWSA-N 463.500 4.552 50 10 JJGE CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NN=C/C(Cl)=C\c2ccccc2)cc1 254904397 CRXQFUIMKMKYAK-WBCQVARGSA-N 483.977 4.882 50 10 JJGE CC[C@H](Br)[C@H](CC)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 313115795 OEXOPEYSVBCQBD-KWQFWETISA-N 468.038 4.986 50 10 JJGE CC[C@@H]1[C@H](CBr)CCN1C(=O)c1cc(Br)ccc1Br 386323178 UKMXWMHDWLVDQF-TVQRCGJNSA-N 454.000 4.847 50 10 JJGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2nnc(-c3ccccc3Br)o2)c1C 768745560 BLSXOSWVNIHQID-PACYTGELSA-N 499.365 4.775 50 10 JJGE CN(C)[C@@H](CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)c1ccsc1 914505760 HAMQYKFDLMVOAA-PSXBWXLBSA-N 479.009 4.505 50 10 JJGE CN(C)c1ccc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1Br 1084247274 SBQBAOUIRVRDAW-UHFFFAOYSA-N 465.145 4.788 50 10 JJGE CCOc1cc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)ccc1OC 1614687767 DLVGFAIYWUEJFV-MOPGFXCFSA-N 495.357 4.881 50 10 JJGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccncc1)CCC2 1772746639 XPSOUONLNBTTSR-UHFFFAOYSA-N 458.301 4.979 50 10 JJGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1c[nH]c3ccccc13)C(C#N)=C(N)O2 1865700096 KYBUZKISLUYMEL-FQEVSTJZSA-N 460.335 4.897 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1865700438 SXYSURXDMSYXHU-JOCHJYFZSA-N 469.932 4.874 50 10 JJGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@@H]2c1cccc(OC)c1OCc1cccc(C)c1 1865705857 HHJHSFWOIVMTGH-QHCPKHFHSA-N 458.562 4.970 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1 1865713067 QBEBUNMNFCUGBY-QHCPKHFHSA-N 452.489 4.964 50 10 JJGE BrCc1cc(Br)c(OC[C@]23CCOC[C@@H]2C3)c(Br)c1 1880400379 SJPXMUYMBPQNKU-IINYFYTJSA-N 454.984 4.912 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCc2cccc(Cl)c2Cl)C1 1901219564 XUEUCIXBPVASLU-QWHCGFSZSA-N 472.150 4.933 50 10 JJGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1Br 1914347649 GMKZYDOFBSRBHH-GFCCVEGCSA-N 465.182 4.563 50 10 JJGE CCc1nn(CC)c(CN(C)C[C@H](Br)COCc2ccccc2)c1Br 1916370497 NKKIAJZLGFRHNT-INIZCTEOSA-N 473.253 4.640 50 10 JJGE C[C@@H](Cl)CC(=O)Nc1cc(Br)c(I)c(Br)c1 1982341947 ZLVFPZGHWZLWAH-RXMQYKEDSA-N 481.353 4.772 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H]2C[C@H]1CC[C@@H]2Br 2028278695 XXPMRIQGGRYVQP-BHNWBGBOSA-N 458.013 4.661 50 10 JJGE O=C(c1csc(Br)c1Br)N1CCC[C@@H](CBr)CC1 2032955610 BKDWCPVIXIHEAV-MRVPVSSYSA-N 460.029 4.910 50 10 JJGE CN(CC(C)(C)CBr)C(=O)c1cc(I)ccc1Br 2033566810 JUJUQJUFKGHDJU-UHFFFAOYSA-N 488.989 4.547 50 10 JJGE O=C(NC[C@H](CBr)C1CCC1)c1ccc(Br)cc1Br 2089960196 FMLRGOOQWZCWQE-JTQLQIEISA-N 454.000 4.753 50 10 JJGE CN(C(=O)c1cccc(Br)c1Br)[C@H]1CCCC[C@@H]1Br 2092340187 NJVKRUWYDBYQGM-JQWIXIFHSA-N 454.000 4.990 50 10 JJGE C[C@H](NC(=O)c1cc(Br)ccc1Br)[C@@H]1CCC[C@H]1Br 2111557897 KVXYHYIQFLOFQD-PTOFAABTSA-N 454.000 4.894 50 10 JJGE O=C(N[C@@H](CCl)c1ccsc1)c1ccc(I)c(Br)c1 2119039429 MRUKULUJWMNGDH-LBPRGKRZSA-N 470.557 4.825 50 10 JJGE CC1(C)[C@@H](Cl)CC[C@H]1NC(=O)c1ccc(Br)cc1I 2142280465 DSCMVSXVCKFMFB-NWDGAFQWSA-N 456.549 4.580 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H]2C[C@@H](Cl)CC[C@H]21 2143976753 UCKYCVGQKIWMBF-OLUVUFQESA-N 468.560 4.676 50 10 JJGE O=C(c1c(Br)cccc1Br)N1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 2150493660 MGEOHIFBDJWOOB-GARJFASQSA-N 466.011 4.847 50 10 JJGE C[C@@H]1[C@@H](C(F)(F)F)N(Cc2ccc(CBr)cc2)CCN1C(=O)OC(C)(C)C 2182844568 FXINNTNLUYUXQB-CJNGLKHVSA-N 451.327 4.954 50 10 JJGE CO[C@@H]1CC(Oc2c(Br)cc(Br)cc2CBr)C[C@H]1OC 2187178285 SKLRIVHUQMKNFT-CHWSQXEVSA-N 472.999 4.678 50 10 JJGE Cc1ccc(S(=O)(=O)N2CC[C@@]2(C)CCOCc2ccccc2)cc1CBr 2197757029 ZSUDQZSTHAYITP-NRFANRHFSA-N 452.414 4.650 50 10 JJGE COC[C@](C)(CC(CBr)(CBr)c1ccccc1Br)OC 2198254787 SEXYCYLXPJKMBF-AWEZNQCLSA-N 473.043 4.918 50 10 JJGE O=S(=O)(c1cc(CCl)sc1Br)N1[C@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 2234689919 MSHSAURGJSQXIE-IYBDPMFKSA-N 489.888 4.677 50 10 JJGE Fc1cc(-c2ncc(CBr)c(C(F)(F)F)n2)ccc1I 2237092948 JNWWHBDXXHNCCE-UHFFFAOYSA-N 460.994 4.801 50 10 JJGE C[C@@H](Cl)COCc1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2295837938 RWOATOULNCAWIC-SSDOTTSWSA-N 488.405 4.699 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1cc(C)cc(C)c1 2314737216 RPOLEZSEAKYZLR-UHFFFAOYSA-N 470.525 4.520 50 10 JJGE CCOc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(Cl)c1 2322975126 DQVAHJAZEJXUNH-UHFFFAOYSA-N 453.882 4.990 50 10 JJGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 2331324294 GFZOAAXGMKBQQE-UHFFFAOYSA-N 490.497 4.514 50 10 JJGE CCn1nc(Br)c(C[C@@H](CBr)Cc2ccc(Br)cc2)n1 2379919580 IZEPMNYIAMDZSF-NSHDSACASA-N 466.015 4.619 50 10 JJGE O=C(O)COc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 48573434 CZMTVTLQVQBJAS-RPPGKUMJSA-N 473.312 4.800 50 10 JJGE CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OCC 59335608 COUVLBZAZNDGDC-YVLHZVERSA-N 487.350 4.644 50 10 JJGE O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 59417812 FCHUQZGTFVLGSH-YDZHTSKRSA-N 454.280 4.700 50 10 JJGE COc1ccc(-c2nn(CCC#N)cc2/C=C(/C#N)C(=O)NCC2(c3ccccc3)CCC2)cc1 96993764 FHDLAXCUGDQQLI-XLNRJJMWSA-N 465.557 4.617 50 10 JJGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCC)cc2OC)cc1 206435995 YLBOIXVPDPJGRW-HBKJATORSA-N 462.546 4.926 50 10 JJGE N#C/C(=C/Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CCN(c2ccc(F)cc2)CC1 217237125 WUTLECFJOAXPAL-YPKPFQOOSA-N 452.839 4.666 50 10 JJGE C[C@@H](Br)[C@H]1CCCN(C(=O)c2cc(Cl)ccc2I)C1 689041857 AQZYVIBTXPCLDU-ZJUUUORDSA-N 456.549 4.580 50 10 JJGE Cn1cc([C@@H](Br)c2cc(Br)cc3c2OCCC3)nc1Br 711115235 OYSGJSTYICXUHK-LBPRGKRZSA-N 464.983 4.754 50 10 JJGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Cl)CCC3)cc1 1772743826 JSHPEAOIMAKUEW-UHFFFAOYSA-N 451.910 4.973 50 10 JJGE Cc1ccc(C(=O)CCC(=O)NNC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c(C)c1 1865760363 UFVVDSYXSRTBTP-LFIBNONCSA-N 456.542 4.706 50 10 JJGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCNC(=O)[C@H]2c2ccc(F)cc2)n1 1868342157 MEFGPZIYZWDNQX-JOCHJYFZSA-N 476.581 4.907 50 10 JJGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccccc1I 1914660414 AENYNPPJEYUTRN-ZDUSSCGKSA-N 458.137 4.717 50 10 JJGE CC(=O)Nc1ccc(C=C(C#N)S(=O)(=O)c2cc(Br)ccc2Br)cc1 2040461541 VIGBDCDIWZPKMY-UHFFFAOYSA-N 484.169 4.508 50 10 JJGE CCN(CCCCBr)C(=O)c1ccc(I)c(Br)c1 2041180851 NCIGBGICVSNJGS-UHFFFAOYSA-N 488.989 4.691 50 10 JJGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)c1 2084289626 VJRXJQBDYPEPEW-MNDPQUGUSA-N 454.420 4.594 50 10 JJGE CC1(C)CN(Cc2cccc(Br)c2Br)C[C@@H](CBr)O1 2092338200 QKMWCONHBDUJOR-LLVKDONJSA-N 456.016 4.586 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1[C@H]2CC[C@@H]1C[C@H](Br)C2 2098699672 QTRMDCPXCXNUJF-JGPRNRPPSA-N 451.984 4.742 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2[C@@H](Br)CCC[C@H]2C1 2150958245 LBQDGWZXQHORNH-BIMULSAOSA-N 466.011 4.847 50 10 JJGE CC1CC(CBr)(N(C)c2ncc(C(F)(F)F)cc2I)C1 2164573366 CGUYTLGFSXVETP-UHFFFAOYSA-N 463.079 4.705 50 10 JJGE BrCCOCC1CCN(Cc2cccc(Br)c2Br)CC1 2167397015 VUCZBBQUBAUEQQ-UHFFFAOYSA-N 470.043 4.835 50 10 JJGE CN1CCC(N(Cc2ccccc2)S(=O)(=O)c2cc(CBr)ccc2Cl)CC1 2179785433 MHNIASIOIPIKDH-UHFFFAOYSA-N 471.848 4.520 50 10 JJGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)CC2CCOCC2)ccc1CBr 2179786151 WGHVJZYDYKLPRG-UHFFFAOYSA-N 452.414 4.507 50 10 JJGE O=S(=O)(c1ccc(OCCCBr)cc1)N(Cc1ccccc1)CC(F)(F)F 2179827657 HSOUGLROASIYAM-UHFFFAOYSA-N 466.319 4.604 50 10 JJGE FC1(F)C[C@]1(Br)Cn1c(CCCl)nc2cc(I)ccc21 2202506373 QECDDNJXGREZBH-LBPRGKRZSA-N 475.502 4.595 50 10 JJGE O=C(c1ccc(Br)cc1I)N1[C@H](CCl)CCC12CCC2 2207266851 HORIVTPEZFCNAB-NSHDSACASA-N 468.560 4.820 50 10 JJGE C[C@@H](CBr)CC1CN(C(=O)c2scc(Br)c2Br)C1 2222951188 CUQUGHXLHMTLLD-SSDOTTSWSA-N 460.029 4.766 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](OCc2ccc(C(F)(F)F)cc2)[C@H](I)C1 2223304879 WIXWTSRRGZGMGU-KGLIPLIRSA-N 471.257 4.645 50 10 JJGE CC(C)(C)OC(=O)N[C@H](C[S@@](C)(=O)=NCC1(CBr)CC(F)C1)C(C)(C)C 2265631411 DDHLYKOZZQBHNE-NMUSIBNBSA-N 457.450 4.537 50 10 JJGE C[C@]1(CNC(=O)c2c(Br)cccc2Br)CCC[C@H]1Br 2271303935 ZCTAYOVXMMGSPQ-BXUZGUMPSA-N 454.000 4.895 50 10 JJGE C[C@]1(CNC(=O)c2ccc(I)c(Br)c2)CCC[C@H]1Cl 2271305118 KJXXDVLMOIOQLU-TZMCWYRMSA-N 456.549 4.581 50 10 JJGE COc1ccc([C@@H](Br)c2cc(I)sn2)c(OC)c1C 2278036399 CIWIIZTWISFDAK-GFCCVEGCSA-N 454.127 4.558 50 10 JJGE CC1(C)[C@H]2CO[C@@]1(CO[C@@H](CI)c1cccc(Br)c1)C2 2289249971 XHNMCRUNFIQBKW-IVMMDQJWSA-N 451.142 4.757 50 10 JJGE CC(C)(CI)CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 2306809750 MKMJXHBMXTUUBV-UHFFFAOYSA-N 450.405 4.559 50 10 JJGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1cc(Br)sc1Br 2310048857 XGLLPPJYLLJBBI-ITFKJWCVSA-N 458.013 4.565 50 10 JJGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Br)cc(I)c2O)c1 2313511037 JYLPBQHSFOREER-UHFFFAOYSA-N 483.103 4.613 50 10 JJGE CCc1cccc2c(C=C(C#N)C(=O)NCc3cccs3)cn(CC(=O)NC3CCCC3)c12 2313624147 NVXZWPBVKXTSRY-UHFFFAOYSA-N 460.603 4.547 50 10 JJGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314592973 FFILJMSOYFUNDK-QFIPXVFZSA-N 493.972 4.684 50 10 JJGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)CCCN1C(=O)c2ccccc2C1=O 2320506837 SOPXMOKSFLEYFQ-UHFFFAOYSA-N 466.493 4.741 50 10 JJGE BrC[C@@H]1CC2(CC2)CN1Cc1ccc(I)c(Br)c1 2325205482 YEFZUQVGMYRRFG-NSHDSACASA-N 485.001 4.803 50 10 JJGE FC1(F)C[C@]1(CBr)COCc1cc(I)ccc1Br 2326813443 LIUCIGQHKOKHJU-NSHDSACASA-N 495.927 4.991 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@@]2(CBr)CC[C@H]1C2 2336471968 XLESJDZLGSTYDZ-XPTSAGLGSA-N 451.984 4.601 50 10 JJGE C[C@@]1(CBr)CCCN(C(=O)c2ccc(Cl)cc2I)C1 2340061758 QZZZSSJVELHSOW-AWEZNQCLSA-N 456.549 4.582 50 10 JJGE Fc1cncc(OCc2ccc(I)c(Br)c2)c1CCl 2350072641 CCMWCMADAGBSKC-UHFFFAOYSA-N 456.480 4.906 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CC[C@H]2CC[C@H](Cl)[C@@H]1C2 2358308483 BZPBZDSZBUIGAA-LQJRIPTKSA-N 468.560 4.676 50 10 JJGE COc1cc(C(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc(OC)c1OC 8396716 YBFVENNWNRIPMX-UHFFFAOYSA-N 484.508 4.849 50 10 JJGE CCCOc1ccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1Br 14647228 HSZGWATUVAEIMP-UHFFFAOYSA-N 483.362 4.745 50 10 JJGE C[C@@H](SCc1ccccc1)C(=O)N/N=C1\C(=O)N(C/C=C/c2ccccc2)c2ccccc21 59159504 SUCVEKIDCWIGKB-AHEHFQIUSA-N 455.583 4.889 50 10 JJGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2C(C)C)cc1 100154345 QRDAYTYEDMCXBN-UHFFFAOYSA-N 485.650 4.874 50 10 JJGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C1=O 101332962 PDLCSKCPBRAFPG-LFVJCYFKSA-N 466.541 4.940 50 10 JJGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)NCc1cccnc1 102857299 PGGOZPUSSJWAAC-MOSHPQCFSA-N 484.357 4.920 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1OC 205648228 SXVOCCTXXGZTOA-KYJNCLHHSA-N 468.509 4.849 50 10 JJGE C[C@H]1CN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2ccc(Oc3ccccc3)cc2)CCN1 208010382 YTTGZVDAXFOYEO-MHECFPHRSA-N 484.021 4.674 50 10 JJGE O=C(NC[C@H]1CCC[C@H](Br)C1)c1cc(Br)cc(Br)c1 227761082 JDDXMKNZBJBJOJ-ONGXEEELSA-N 454.000 4.895 50 10 JJGE C[C@H](Cl)C[C@H]1CCCN1C(=O)c1cc(I)ccc1Br 312011464 RVJAYKSMRGGTPP-GXSJLCMTSA-N 456.549 4.676 50 10 JJGE O=C(OCc1ccccc1)N1C[C@H](CCl)[C@H](c2ccc(I)cc2)C1 382682969 FLCLGMZLNMLBMR-WMZOPIPTSA-N 455.723 4.882 50 10 JJGE ClCCCCOc1c(I)cc(Cl)cc1I 389631228 MELQFXHZHYOQPC-UHFFFAOYSA-N 470.903 4.947 50 10 JJGE O=C(CBr)c1cc(I)cc(Br)c1OC(F)(F)F 575695505 PFILTBCUGKHZKX-UHFFFAOYSA-N 487.835 4.530 50 10 JJGE CN([C@@H](CBr)C(C)(C)C)S(=O)(=O)c1cc(Cl)c(Br)s1 689234001 YRPHEGKEORUARR-QMMMGPOBSA-N 453.649 4.594 50 10 JJGE BrCc1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 705934342 PBRLZRDPAFGGBK-HDICACEKSA-N 450.218 4.912 50 10 JJGE O=C(N[C@H](CBr)C1CCCCC1)c1cccc(F)c1I 721676487 BZAZKDBULJSYFM-CYBMUJFWSA-N 454.121 4.504 50 10 JJGE Cc1nc(-c2ccc(CNC(=O)/C(C#N)=C/c3cc(C)n(C[C@H]4CCCO4)c3C)cc2)cs1 746055612 WSBZINVVENZKCS-VWHXEVSBSA-N 460.603 4.939 50 10 JJGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2nnc(-c3ccco3)s2)c(-c2ccc(Cl)cc2)n1 818078950 CALBEBNJMFLZSA-RVDMUPIBSA-N 475.921 4.774 50 10 JJGE BrC[C@@H](CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)C1CC1 1653837703 SAGQRGQQJJLSFG-DEOSSOPVSA-N 457.456 4.831 50 10 JJGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(F)cc2)CCC3)cc1 1772745421 YYHPGDLGRDPJMC-UHFFFAOYSA-N 477.492 4.627 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1OC 1865707022 MCJYMKILRLFWQX-KRWDZBQOSA-N 476.842 4.780 50 10 JJGE N#C/C(=C(/O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873940677 CFLOUHMSCJBTSD-SDXDJHTJSA-N 468.878 4.590 50 10 JJGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1S(=O)(=O)c1cc(CCl)sc1Br 1921421068 WJCKDYPQZJXUCE-CABCVRRESA-N 491.904 4.781 50 10 JJGE CC1(C)[C@H](CBr)CCN1C(=O)c1ccc(I)c(Cl)c1 2095212386 JKDHNIIPLMJKFQ-JTQLQIEISA-N 456.549 4.580 50 10 JJGE C[C@H](NC(=O)c1c(Br)cccc1Br)[C@@H]1CCC[C@H]1Br 2111556176 XAQPJVQRWPKVGX-LPEHRKFASA-N 454.000 4.894 50 10 JJGE CC(C)(C)OC(=O)N[C@H](C[S@@](C)(=O)=NC[C@H](CBr)CC1CC1)C(C)(C)C 2112869290 RODXEFCDCPVDID-SBKBGZGTSA-N 453.487 4.835 50 10 JJGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)sc1CBr 2123244486 WVCDTYSUFAMTLM-INIZCTEOSA-N 458.443 4.710 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC2(CC[C@H]1CBr)CC2 2154165704 FCRRVVKZDYFLED-ZDUSSCGKSA-N 466.011 4.991 50 10 JJGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)c1Br 2201079333 RTALCXQFTPYDAA-VILIVFPASA-N 487.051 4.555 50 10 JJGE CCN(C(=O)c1cc(Cl)ccc1I)[C@H]1CCC[C@@H]1Br 2224419287 HFTMPQDZGAYUJU-AAEUAGOBSA-N 456.549 4.723 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC1CC([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 2246936475 VMVBGFAMULZQQW-AOCRQIFASA-N 475.721 4.518 50 10 JJGE O=C(NC[C@H]1CCCC[C@H](Br)C1)c1c(F)cccc1I 2282795515 VJCUCPLGCLCBDN-QWRGUYRKSA-N 454.121 4.504 50 10 JJGE CC1(C)CCC[C@]1(CBr)NC(=O)c1c(F)cccc1I 2282810796 XDSFAXGJGVJSAH-OAHLLOKOSA-N 454.121 4.504 50 10 JJGE COC(=O)COc1c(Cl)cc(C=C(C#N)C(=O)Nc2cccc(Br)c2)cc1Cl 2294147004 SPHTWAPRJAECHR-UHFFFAOYSA-N 484.133 4.853 50 10 JJGE Cc1cc(C)c(NC(=O)COC(=O)C(C#N)=Cc2c(C)nn(-c3ccccc3)c2C)c(Cl)c1 2297487206 YZCJKMGDXAQNIN-UHFFFAOYSA-N 462.937 4.848 50 10 JJGE Cc1c(Br)cccc1C(=O)N[C@@H](CCBr)COCc1ccccc1 2303546866 KVUWPIRBMVFLTE-INIZCTEOSA-N 455.190 4.858 50 10 JJGE COC1CC2(C1)CC(O[C@H](CI)c1ccc(Br)cc1)C2 2361323524 HZZOXUIQGPZHDE-MYLOQMAZSA-N 451.142 4.899 50 10 JJGE CCOc1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3nc(O)c4ccccc4n3)cc2OC)cc1 34988302 NRWRGMGCGZDCFS-RGEXLXHISA-N 496.523 4.824 50 10 JJGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(=O)OC)cc2)cc1 38683656 PGBNMKOXQQDHEI-QLXKLKPCSA-N 498.535 4.627 50 10 JJGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2)c1ccccc1 40812246 FKAMQHCCXXOPEW-LHLOQNFPSA-N 460.490 4.633 50 10 JJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1 58893707 WPMQIGNIWUZVCR-GKZBKZLQSA-N 477.517 4.536 50 10 JJGE O=C(N/N=C1/C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1ccccc1[N+](=O)[O-] 59159830 DBLNXUWTOQJJLG-LKUDQCMESA-N 469.284 4.583 50 10 JJGE CC(C)(C)C(=O)[C@H](Br)Cc1ccc(I)cc1Br 304201388 NEESWLDYDDFVDE-LLVKDONJSA-N 473.974 4.975 50 10 JJGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCC[C@H](Br)CC1 381263687 YDLQOACNNFDNGY-QMMMGPOBSA-N 466.022 4.694 50 10 JJGE C[C@H]1[C@H](CBr)CCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 395177746 UDQHEZPTFBWYQV-YUMQZZPRSA-N 466.022 4.550 50 10 JJGE O=C(c1scc(Br)c1Br)N1CCCC[C@H](CBr)C1 705440914 FEUSSOKGTNTDIH-MRVPVSSYSA-N 460.029 4.910 50 10 JJGE C[C@@H](CCBr)CCNC(=O)c1ccc(I)c(Br)c1 721607754 CWVIBIHVYNGBMV-VIFPVBQESA-N 488.989 4.595 50 10 JJGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)CCSCc1nc(O)c2c3c(sc2n1)CCC3 746182395 NOOAXFYUCNFPMS-UHFFFAOYSA-N 471.560 4.751 50 10 JJGE COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 914472069 HCZRHYVCEADWIR-LCJWNIEWSA-N 459.937 4.910 50 10 JJGE COc1ccc(CCC(=O)NN=C2C(=O)N(Cc3cccc4ccccc34)c3ccccc32)c(O)c1 1084001222 PEVOIBLORAXGKV-UHFFFAOYSA-N 479.536 4.554 50 10 JJGE O=C(NN=Cc1cccc(OC2CSC2)c1)c1ccc(CN2CCc3ccccc3C2)cc1 1084018275 TUDOMQLBVKJCBV-UHFFFAOYSA-N 457.599 4.503 50 10 JJGE O=C(CSCc1ccc(Cl)cc1)NN=C1C(=O)N(Cc2ccccc2F)c2ccccc21 1084523229 NZVGPUKYCINMAQ-UHFFFAOYSA-N 467.953 4.780 50 10 JJGE Cc1ccc(-n2c(SCC(=O)/C(C#N)=C3/Nc4ccccc4N3C)nc3ccccc3c2=O)c(C)c1 1087641292 OBLJKUFWOSMWSL-QOMWVZHYSA-N 493.592 4.961 50 10 JJGE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705383 UKVYDXXSUWFVEZ-VWLOTQADSA-N 480.499 4.816 50 10 JJGE CCOc1ccc(CC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1 1865759928 YXLVVMUUISBYFT-UHFFFAOYSA-N 458.345 4.766 50 10 JJGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4cccc(OC)c4)cs3)CC2=O)cc1 1872744430 RDCSEQHNIZHQPO-YQMDHOPXSA-N 489.553 4.841 50 10 JJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)c(OC)c1 1872755483 PWZOCYSAMCTPMN-HKWRFOASSA-N 468.447 4.902 50 10 JJGE O=C(N[C@H](CCSC[C@@H]1C[C@@H]1Br)C(=O)O)OCC1c2ccccc2-c2ccccc21 1877464599 DYUBDJSGMUBHFA-SZFUDVHCSA-N 490.419 4.885 50 10 JJGE C[C@@H](Cl)c1cnnn1-c1cc(Br)c(I)c(Br)c1 1946434946 PYODUVJFDJFLLV-RXMQYKEDSA-N 491.352 4.697 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 2010826614 FCJTUEUXPBAURI-OKZBNKHCSA-N 475.721 4.518 50 10 JJGE O=C(c1csc(Br)c1Br)N1C[C@H](CBr)C2(CC2)C1 2032958597 HXGLTIWIGNNGRR-ZETCQYMHSA-N 458.013 4.520 50 10 JJGE FC(F)c1c(I)cc(I)cc1CBr 2060238731 QBXJJIUIDHRWST-UHFFFAOYSA-N 472.836 4.728 50 10 JJGE O=C(c1scc(Br)c1Br)N1C[C@H]2CCC[C@@]2(CBr)C1 2103167617 GBGWWIAHZDAKAR-AMIZOPFISA-N 472.040 4.910 50 10 JJGE CC1(C)C[C@@H](Br)CCN1C(=O)c1cc(Br)cc(Br)c1 2113585685 HNTQWKXAIZLNNR-JTQLQIEISA-N 454.000 4.990 50 10 JJGE C[C@H](NC(=O)c1ccc(Br)cc1I)[C@H]1CCC[C@H]1Cl 2142289095 XDIFWIWIEQBZLY-MKPLZMMCSA-N 456.549 4.580 50 10 JJGE C[C@@H]1CC[C@@H](CCl)CN1C(=O)c1ccc(Br)cc1I 2142289694 SJGFJQNDHMWTTP-ZJUUUORDSA-N 456.549 4.533 50 10 JJGE O=C(c1cc(I)ccc1Br)N(CCCl)Cc1cccs1 2171087477 SEQBMGGEIAVDCL-UHFFFAOYSA-N 484.584 4.996 50 10 JJGE Cn1nc(Br)c([C@@H](Br)c2cc(Cl)c(Br)cc2F)n1 2219806405 MMVQFWLHOGHHAI-QMMMGPOBSA-N 462.342 4.617 50 10 JJGE BrC[C@]12CCCO[C@H]1CN(Cc1ccc(Br)cc1Br)C2 2238828819 XMHUDHLSBIOGCT-GJZGRUSLSA-N 468.027 4.588 50 10 JJGE CC(C)(C)OC(=O)N[C@H]1CN(CCCCI)C2(CCCCCC2)C1 2248241986 QXLGCQYKUWUZAQ-MRXNPFEDSA-N 450.405 4.894 50 10 JJGE CCCN(C[C@@H](C)Br)C(=O)Cc1cc(Br)cc(Br)c1 2277928922 PXJJQVOOPRAWRO-SNVBAGLBSA-N 456.016 4.776 50 10 JJGE O=C(c1csc(Br)c1Br)N1CC[C@@H](Br)[C@H]2CC[C@H]21 2310809382 WRFGQGONIPJZHC-FTLITQJKSA-N 458.013 4.661 50 10 JJGE COc1ccccc1-c1csc(C(C#N)=C(O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 2331281959 MQCIWKQMNQETJL-OAQYLSRUSA-N 459.527 4.932 50 10 JJGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1cc(Cl)c(F)cc1CBr 2337236141 VNIXMORLZRXYMZ-UHFFFAOYSA-N 476.733 4.789 50 10 JJGE CCN(C[C@](C)(CI)O[C@H]1CCOc2ccccc21)C(=O)OC(C)(C)C 2340299392 PFVXXSWHEVJIBI-PXNSSMCTSA-N 475.367 4.978 50 10 JJGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@](C)(=O)=NC[C@](C)(CBr)C(C)(C)C)C1 2352081078 MUWNEGPZZXYFBY-WWHQSQASSA-N 453.487 4.835 50 10 JJGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NCc2ccco2)cc1 33919454 DYUGQKMOYXYQGE-SDXDJHTJSA-N 468.513 4.601 50 10 JJGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3OC)ccc21 40529685 SRRCBTUCKMKIQP-RUZDIDTESA-N 456.498 4.921 50 10 JJGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OC(C)C)c(OC)c2)c(OCC)c1 207008243 KWDMEYQQAXBYIF-UXMUESAKSA-N 479.529 4.970 50 10 JJGE O=C(N[C@H](CBr)c1ccccc1)c1ccc(I)c(Cl)c1 232349050 BAXUBRKJHJUUSY-CQSZACIVSA-N 464.528 4.811 50 10 JJGE FC(F)(F)c1cnc(N2CCC[C@H](CBr)CC2)c(I)c1 686114098 LADFZHXMTHXTKT-VIFPVBQESA-N 463.079 4.706 50 10 JJGE C[C@H]1CN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)C[C@@H](C)O1 725238471 UENKHEZHXVCRBN-KSMMKXTCSA-N 474.932 4.716 50 10 JJGE O=C(NNc1ccc(F)c(F)c1F)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl 728718268 DKQWJQGRENXDCH-UHFFFAOYSA-N 490.290 4.968 50 10 JJGE CC(=NNC(=O)Cc1nc(O)c2c(C)c(C)sc2n1)c1cc2cc(Br)ccc2o1 916322371 PPVGKBZCSPHUDT-UHFFFAOYSA-N 473.352 4.605 50 10 JJGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cc1 1084217882 TUGITPAOIAOBMU-UHFFFAOYSA-N 485.456 4.739 50 10 JJGE CC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)[C@H](C)Oc3cccc(Cl)c3)cc2)cc1 1128595731 PIIJKLUBBKMCIR-INIZCTEOSA-N 452.894 4.563 50 10 JJGE Cc1ccc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1Cl 1858683630 WWTCRGROMBWNJN-UHFFFAOYSA-N 474.832 4.719 50 10 JJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1 1865708813 GOFDURKDZSCJCC-XMMPIXPASA-N 476.536 4.912 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865712807 IPLRILCKNNUICG-OAHLLOKOSA-N 461.787 4.671 50 10 JJGE CC[C@H](N)Cc1cc(Br)cc(Br)c1OC[C@H]1C[C@H]1Br 1887907976 LRDKJOKBWLUMMU-ADEWGFFLSA-N 456.016 4.654 50 10 JJGE O=C(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)[C@H](Br)C1CCCC1 1979583971 BGTJBVILVMQVEK-HSZRJFAPSA-N 471.439 4.528 50 10 JJGE COc1cc(C[C@@H](Br)c2csc(Br)c2Br)ncn1 2032954279 ZVNVNNDSVCBMDO-MRVPVSSYSA-N 456.985 4.750 50 10 JJGE C[C@@H]1CN(C(=O)c2cc(Br)sc2Br)CC[C@@H]1CBr 2046681101 YEJNHOVWPIYBGH-HTQZYQBOSA-N 460.029 4.766 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2[C@H](Br)CCC[C@H]2C1 2094587284 KBTKJPMSHAATBL-DJLDLDEBSA-N 472.040 4.909 50 10 JJGE CC1(C)Cc2cc([C@@H](Br)c3cc(I)sn3)ccc2O1 2120030381 CDUSLCITXOTFTR-CYBMUJFWSA-N 450.139 4.946 50 10 JJGE Brc1cccc([C@H](CI)O[C@H]2CCN3CCC[C@H]3C2)c1 2199478168 YYKXSXUJVXDCIT-JYJNAYRXSA-N 450.158 4.569 50 10 JJGE C[C@@]12CC[C@@](CBr)(C1)N(C(=O)c1ccc(I)c(Cl)c1)C2 2199512621 PWCWTYLYFVAXCS-CABCVRRESA-N 468.560 4.724 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H](Br)CCC12CC2 2227508211 ZUIBOCVGRARNAQ-JTQLQIEISA-N 451.984 4.744 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1C[C@H]2CC[C@H]1C[C@H]2NC(=O)OC(C)(C)C 2248821350 QEZNCDTZSOBAAF-XWTMOSNGSA-N 475.721 4.564 50 10 JJGE O=C(c1ccccc1I)N1CCC(CCCCBr)CC1 2283134344 PDIBTEWTERHISL-UHFFFAOYSA-N 450.158 4.709 50 10 JJGE Cc1nc(C2CCN(C(=O)[C@H](Cl)C(C)C)CC2)nc2c1CCCN2CCc1ccccc1 2296577818 BGBMZGNSZLOUJD-HSZRJFAPSA-N 455.046 4.750 50 10 JJGE Cc1ccc(C(=O)N[C@@H](CCBr)COCc2ccccc2)c(Br)c1 2303548440 CXZKRNBMCGMXMV-INIZCTEOSA-N 455.190 4.858 50 10 JJGE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N(Cc4ccco4)C(=O)C(C#N)=C3C)o2)cc1 2314617812 BIPVPPMBZPLRAT-UHFFFAOYSA-N 456.454 4.509 50 10 JJGE CCCOc1ccc(C=CC(=O)NNC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)cc1 2321073261 LHBOMGSRVGUYDQ-UHFFFAOYSA-N 451.473 4.598 50 10 JJGE N#CC(=C(O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(F)cc2F)cs1 2331292978 DQRGXYSQWPESGE-UHFFFAOYSA-N 496.451 4.866 50 10 JJGE CC(C)(C)OC(=O)NCC1CC([S@](C)(=O)=NC[C@](C)(CBr)C(C)(C)C)C1 2352113332 MUWNEGPZZXYFBY-QAMJTRMESA-N 453.487 4.835 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1ccc(Cl)cc1I 2365588773 NRZHUJOAKSFQIT-TWOBJEBXSA-N 468.560 4.627 50 10 JJGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)COc1ccc(Br)cc1C 10683649 QCUFRUJSFFBXHV-BEFAXECRSA-N 477.399 4.655 50 10 JJGE Cc1ccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccc(F)cc2)c2ccccc23)cc1 33267911 SPUKRUUTGVUMMW-QHCPKHFHSA-N 473.529 4.661 50 10 JJGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1 38651313 LHCXUSRTMHNKAK-XMMPIXPASA-N 462.889 4.551 50 10 JJGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cccc(Cl)c4)c(C)c32)cc1 40813869 KYUAJAMLXPRKCQ-ZXVVBBHZSA-N 451.910 4.973 50 10 JJGE O=C(CC12CC3CC(CC(C3)C1)C2)NN=Cc1ccc(Sc2ncccn2)c([N+](=O)[O-])c1 254310251 VFJDJNVOKAGSDD-UHFFFAOYSA-N 451.552 4.593 50 10 JJGE CC(C)c1ccc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1 254395940 GIJSSXNKDZFSHN-JVAHOMIPSA-N 454.574 4.797 50 10 JJGE CCn1c2ccccc2c2cc(NC(=O)CC(C)=NNC(=O)c3cccc([N+](=O)[O-])c3)ccc21 254629424 TXUVZANQCQTBGR-UHFFFAOYSA-N 457.490 4.857 50 10 JJGE N#Cc1ncccc1COc1c(Br)cc(Br)cc1CBr 380251515 NZCIEEQHPHOXIQ-UHFFFAOYSA-N 460.951 4.952 50 10 JJGE C[C@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@H](C)C1Br 688082580 GAHBJUOKEKWDIE-IUCAKERBSA-N 454.000 4.703 50 10 JJGE Cc1cc(COc2c(Br)cc(Br)cc2CBr)nn1C 688113297 AODMKISJHGJQED-UHFFFAOYSA-N 452.972 4.727 50 10 JJGE Cc1cc(C(=O)COC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c(C)n1C1CC1 761414246 FPNXGJRGBWBPMO-STZFKDTASA-N 467.529 4.550 50 10 JJGE Cc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 1083994816 NHMQQYVMGKNUHD-QFIPXVFZSA-N 454.914 4.620 50 10 JJGE COc1ccc(N2N=C(C#N)C3=C([C@H](c4ccccc4)C(C#N)=C(N)O3)[C@@H]2c2ccccc2)cc1 1088661348 XWPPYRQPYJXTOV-RSXGOPAZSA-N 459.509 4.898 50 10 JJGE C=CCOc1ccc(Br)cc1NC(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C 1436641340 KCWXGOXNSGDRFP-LDADJPATSA-N 458.356 4.624 50 10 JJGE C/C(=C\c1ccc(Cl)cc1)C(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 1442524290 CTAUGNUDUXTGGT-DQJRMYJUSA-N 459.977 4.518 50 10 JJGE CC(C)(CI)CN(Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 1893381488 AFGWJXZHMSZBPZ-UHFFFAOYSA-N 458.384 4.569 50 10 JJGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1sccc1I 1914211699 GRFWXDQLCDCNBI-LLVKDONJSA-N 464.166 4.779 50 10 JJGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1Br 1915073335 DUFIPBBGCJGAGS-HNNXBMFYSA-N 461.219 4.814 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]1C2 2010826077 WDAHJFLDHQFPBU-BZSNNMDCSA-N 475.721 4.660 50 10 JJGE C=CC[C@@](C)(CBr)CNC(=O)c1ccc(Br)cc1Br 2137193723 PPUOMZGVUQXNIU-AWEZNQCLSA-N 454.000 4.919 50 10 JJGE CO[C@@H](COc1c(Br)cc(CBr)cc1Br)[C@H]1CCOC1 2150288971 UMJDEAOGSWNFBC-GWCFXTLKSA-N 472.999 4.537 50 10 JJGE O=S(=O)(N[C@@H](CBr)[C@@H]1CC=CCC1)c1cc(Cl)c(Br)s1 2196145795 HRAXAEJJWIDTJR-SCZZXKLOSA-N 463.644 4.562 50 10 JJGE C[C@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1ccc(CCl)cc1Br 2197753146 MHVJOXMAAVKFNL-HXUWFJFHSA-N 472.832 4.948 50 10 JJGE C[C@H]1CCCN(CCCCCI)[C@@H]1CCCNC(=O)OC(C)(C)C 2214697436 PYRYYEGXACWONZ-DLBZAZTESA-N 452.421 4.997 50 10 JJGE Brc1cc(Br)cc(C[C@@H](Br)[C@@H]2CCn3nccc3C2)c1 2295346104 VJXCVOKRNJOFFB-IAQYHMDHSA-N 463.011 4.977 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCn2ccnc2)cc1 2296545283 DAMVZUDNEIADNS-UHFFFAOYSA-N 480.572 4.638 50 10 JJGE O=S(=O)(N[C@H](CCCl)COCc1ccccc1)c1cc(Cl)c(Br)s1 2303766682 KVNSWSAVHPLZAA-GFCCVEGCSA-N 473.241 4.657 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc(I)c1O 2313518978 ISNHCHMGXWSZER-UHFFFAOYSA-N 468.678 4.595 50 10 JJGE CCOCCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C(C)=C(C#N)C1=O 2314618631 QSBFACMTDDUEAE-UHFFFAOYSA-N 494.975 4.946 50 10 JJGE O=S1(=O)CC[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2315461483 SZHYHJGFFNPPBT-HTRCEHHLSA-N 485.394 4.627 50 10 JJGE CCOc1ccc(C=CC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)cc1OC 2321059191 RCAFLQNOVIOUDB-UHFFFAOYSA-N 465.937 4.592 50 10 JJGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(OC)c(C)c4)cs3)cc2C1=O 2331259136 PCZABIBYMRWSPE-UHFFFAOYSA-N 489.553 4.710 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2CC[C@H]1C[C@@H]2Br 2337063470 CIDZSLNWIXCYSS-JCOFBHIZSA-N 451.984 4.600 50 10 JJGE Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C 14803076 NWBHFCSPVKNOAE-UHFFFAOYSA-N 475.980 4.684 50 10 JJGE CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccc(C)cc2)cc1 33283809 OSUVSTHSUZGWKH-PGMHBOJBSA-N 454.482 4.937 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1 38650340 BMEJFZCFRUMMSC-VWLOTQADSA-N 456.498 4.515 50 10 JJGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2)cc1 38658526 FIQYSZDHDOXFOH-SANMLTNESA-N 484.508 4.706 50 10 JJGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)c1 38684393 KEUUVIIHHAYUDN-MHZLTWQESA-N 470.525 4.986 50 10 JJGE Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=N/NC(=O)CN(Cc1ccccc1)Cc1ccccc1 59155960 YSYBTLLDBKSIQW-STBIYBPSSA-N 496.571 4.550 50 10 JJGE O=C1Cc2cc([C@@H](Br)c3ccc(I)cc3)c(Cl)cc2N1 109872981 WXSGEOQQIZIXPM-HNNXBMFYSA-N 462.512 4.924 50 10 JJGE CCCCCCCCOc1ccc(/C=C2\C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1OC 214288329 XCBQQSRJVBVDNG-PGMHBOJBSA-N 454.567 4.673 50 10 JJGE C#CCOc1ccc(Br)cc1C=NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 252601902 FDOYMJPWGWWJSV-INIZCTEOSA-N 451.320 4.532 50 10 JJGE CC1(CBr)CCN(C(=O)c2cc(Br)c(Br)s2)CC1 401596160 VTLZJCMZXZGUQQ-UHFFFAOYSA-N 460.029 4.910 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N(C[C@@H](C)Br)C(C)C)cc1Br 691374711 VFJZBLCQWNWBNS-SNVBAGLBSA-N 492.071 4.703 50 10 JJGE COc1ccc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 1083911882 PYMDIKGPLMVNMR-UHFFFAOYSA-N 492.167 4.903 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccccc2OCc2ccccc2F)cc1 1084261453 AXQQIPZHEQYEOU-DEOSSOPVSA-N 450.510 4.767 50 10 JJGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(C(=O)O)cc1 1084358903 AKJFRZWEHUFPQN-UHFFFAOYSA-N 458.470 4.873 50 10 JJGE C=CS(=O)(=O)CCC(=O)Nc1cc(Br)ccc1CO[Si](C)(C)C(C)(C)C 1517973874 BLWJDBYZAMZVCX-UHFFFAOYSA-N 462.482 4.858 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1OC 1865706624 BCKHYNPVORDRTP-GOSISDBHSA-N 490.869 4.839 50 10 JJGE CC(C)CCN(CCBr)S(=O)(=O)c1cc(Br)ccc1Br 1924442646 QAFVXBDUIFJCGJ-UHFFFAOYSA-N 492.071 4.643 50 10 JJGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2CCCCC2(F)F)CC1 2020372833 QBUGUYGOGVPXQR-ZDUSSCGKSA-N 459.315 4.786 50 10 JJGE O=C(NC[C@@H]1CCC[C@H]1CBr)c1csc(Br)c1Br 2032953024 BBTIHAVTFGTPIG-YUMQZZPRSA-N 460.029 4.814 50 10 JJGE CCC(CBr)(CBr)NC(=O)c1c(Cl)cccc1Br 2050312664 JXVRJNAQCJBZJN-UHFFFAOYSA-N 462.407 4.771 50 10 JJGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cn(C)nc1Br 2116552207 SQMPVROTQIFXTR-GFCCVEGCSA-N 452.972 4.746 50 10 JJGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2CCC[C@]2(CCl)C1 2159399641 CGRBWDWUVUTTHC-BONVTDFDSA-N 468.560 4.535 50 10 JJGE C[C@H](CCCCCI)NS(=O)(=O)c1ccc(Cl)c(Br)c1 2174522779 GPTVNUNSYVRBNX-SNVBAGLBSA-N 494.620 4.765 50 10 JJGE CN(C(=O)c1cc(Br)ccc1I)[C@H](CCCl)C(F)(F)F 2178515440 LVDZKZSMSRGIOE-SNVBAGLBSA-N 484.481 4.686 50 10 JJGE O=S1(=O)CCC[C@H]([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)C1 2201612589 BZQVTGFARQNLMP-WKEGUHRASA-N 452.542 4.642 50 10 JJGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)Cc1ccc(Br)cc1 2210633118 SDXHEICHBSAHRV-CQSZACIVSA-N 461.219 4.565 50 10 JJGE Fc1cc(Br)ccc1CO[C@@H](CCl)[C@@H](I)CCl 2247632706 VFNWAQGWRXLKGU-QWRGUYRKSA-N 455.920 4.755 50 10 JJGE O=C(NN=Cc1cc2ccccc2nc1Cl)C(=Cc1cccs1)NC(=O)c1ccccc1 2293968646 RTZRDKCTYPFQLP-UHFFFAOYSA-N 460.946 4.871 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CCCC[C@H]1CCBr 2295329311 GWZOZVGMSZBZEW-AWEZNQCLSA-N 468.027 4.920 50 10 JJGE CC(=NNC(=O)c1cccc(NC(=O)c2ccccc2F)c1)c1ccc(Br)cc1 2297635553 QFVMRIGLQGPQFW-UHFFFAOYSA-N 454.299 4.995 50 10 JJGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593988 XCLVLWVXXBWHDX-KBMIEXCESA-N 483.593 4.999 50 10 JJGE CCOCCCN1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)c(OC)c2)C(C)=C(C#N)C1=O 2314618449 NTWIOORPCSEIDI-UHFFFAOYSA-N 474.557 4.602 50 10 JJGE COC(=O)C(C#N)=Cc1cccc(OC(=O)CCCOc2ccc(C)cc2Br)c1 2314770501 DHZVVABCDBOFEF-UHFFFAOYSA-N 458.308 4.602 50 10 JJGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1sc2ccccc2c1Cl 2314795907 BZUUVQGOUVENIH-UHFFFAOYSA-N 482.945 4.548 50 10 JJGE BrC[C@@H]1C[C@H]2CN(Cc3ccc(I)c(Br)c3)C[C@@H]12 2325204500 ORCCZEJHHBYNGS-SRVKXCTJSA-N 485.001 4.517 50 10 JJGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NN=Cc1cccc(OCc2ccc(F)cc2)c1 2328827626 IRAADBDBZNJWQM-VWLOTQADSA-N 491.563 4.991 50 10 JJGE CC(C)(C)N1C[C@H](Br)[C@H](Cc2ccc(Cl)c(I)c2)C1 2337219665 VLDQGORYOPVMRS-NEPJUHHUSA-N 456.593 4.981 50 10 JJGE Clc1ccc(CN2C[C@H]3C[C@H](Br)CC[C@H]3C2)cc1I 2337224018 UDWQGIPJTJDFLV-YNEHKIRRSA-N 454.577 4.940 50 10 JJGE ClC[C@@]12CCC[C@@H]1CN(Cc1ccc(I)c(Br)c1)C2 2349849650 BZOOUQABUFFKHD-IUODEOHRSA-N 454.577 4.895 50 10 JJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C)cc2)cc1Br 14641115 ZPMOFQBRCHGUTO-UHFFFAOYSA-N 492.439 4.666 50 10 JJGE COc1ccc(/C=N/NC(=O)c2ccccc2OC)cc1COc1c(F)c(F)c(F)c(F)c1F 15934279 SISYZDHIYNAYIQ-VYVUJPJFSA-N 480.389 4.742 50 10 JJGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(\C#N)C(=O)NCc2ccccc2)cc1 16739748 SMUCCMMTSQSZNN-GUNDDFSMSA-N 498.564 4.646 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1C 38604333 WRYXJPQZUPHACD-OEAKJJBVSA-N 466.541 4.857 50 10 JJGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(OC)cc3)ccc21 38681521 KKIVNTRCAPHWJG-HHHXNRCGSA-N 486.524 4.687 50 10 JJGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812581 YXYLTKBPTHDBSQ-TURZUDJPSA-N 493.947 4.775 50 10 JJGE N#C/C(=C\c1cc(Br)c(N2CCOCC2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 59303489 KCUQBTHENAGRHN-YRNVUSSQSA-N 471.138 4.731 50 10 JJGE O=c1[nH]c2cc(Br)c([C@H](Cl)c3cccc(I)c3)cc2[nH]1 109883963 IXRNUEWTQHPTPS-CYBMUJFWSA-N 463.500 4.552 50 10 JJGE CCn1cc(CC(CBr)(CBr)c2cccc(Br)c2)cn1 118878753 DTUXGAMLQOVLAR-UHFFFAOYSA-N 465.027 4.936 50 10 JJGE CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc(N3CCCCC3)n2)cc1 169927422 YUUBFMPTJSAPTK-VFCFBJKWSA-N 456.594 4.744 50 10 JJGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1ccc(F)c(Cl)c1 217254170 LSRFYPHQNRKISC-LUAWRHEFSA-N 455.658 4.850 50 10 JJGE CC[C@@](C)(CCBr)NC(=O)c1cc(I)ccc1Br 228580462 SGJCKCFIEVZIJM-ZDUSSCGKSA-N 488.989 4.737 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CCC[C@@H](CCBr)C1 232455567 CVSXICWZSXRPLO-QMMMGPOBSA-N 460.029 4.910 50 10 JJGE Cc1ccc(NCc2nnc(S[C@H](C)C(=O)NN=Cc3ccc(C)o3)n2-c2ccccc2)cc1 252601200 DXRHPFHUWYXPMF-LJQANCHMSA-N 474.590 4.720 50 10 JJGE CC(=NNC(=O)c1ccc(Cn2nc([N+](=O)[O-])cc2C)cc1)c1ccc(OCc2ccccc2)cc1 254745874 BUCIFETVNSOVTJ-UHFFFAOYSA-N 483.528 4.881 50 10 JJGE CC(C)(C)[C@@H](Br)CNC(=O)c1cc(Br)ccc1I 324607207 KUAGJSCGVNIICJ-NSHDSACASA-N 488.989 4.593 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1CCC(CCCCl)CC1 721606687 ALWPYZKAFJFLSI-UHFFFAOYSA-N 470.576 4.925 50 10 JJGE CCO[C@@H]1CCC[C@@H](OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C1 721655286 WJAUOUKIVHBSPX-HZPDHXFCSA-N 467.388 4.555 50 10 JJGE O=C(c1cc(I)ccc1Br)N1C2CCC1(CBr)CC2 722991829 ITNMXLFISAZAJB-UHFFFAOYSA-N 498.984 4.586 50 10 JJGE CC(C)c1ccccc1NC(=O)COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 761414618 HRLAGBVNCLQQDZ-RCCKNPSSSA-N 467.529 4.676 50 10 JJGE COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)c1C 853647906 HSZPFEAPLNUZCZ-AXBWJIFYSA-N 471.985 4.682 50 10 JJGE CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)CC[C@@H](O)c3ccc(OCC)cc3)c2C)cc1 1084017479 QNLUQJJGRPHPQM-AREMUKBSSA-N 491.588 4.633 50 10 JJGE N#Cc1ccc(NC(=O)NN=C2c3ccc(Cl)cc3C[C@H]2NC(=O)c2ccc(F)cc2Cl)cc1 1088698669 NQDQCRKKJXLEQR-OAQYLSRUSA-N 496.329 4.885 50 10 JJGE Cc1ccc(OCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)cc1 1772753907 FHBWVQJYEYROEB-UHFFFAOYSA-N 453.336 4.866 50 10 JJGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 1865682023 DEUIYEABPVWDTQ-QGZVFWFLSA-N 459.706 4.954 50 10 JJGE CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccccc3)sc2c1 1865911501 OCJPLMNXQFZEQE-NBVRZTHBSA-N 468.604 4.653 50 10 JJGE N#C/C(=C(/O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc(F)cc2F)cs1 1872818027 JRWHEWMYKRJHEP-JZJYNLBNSA-N 496.451 4.866 50 10 JJGE O=C(NCC[C@@H]1CCC[C@H]1Br)c1cccc(Br)c1Br 1913759132 WTEUGCCBAJKPFK-GXSJLCMTSA-N 454.000 4.895 50 10 JJGE O=C(NN(Cc1ccccc1)Cc1ccccc1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 1923813081 VKHNRVLZIPRZIN-UHFFFAOYSA-N 461.521 4.834 50 10 JJGE CC[C@H](Br)CN(CC)C(=O)c1ccc(Br)cc1I 2086149392 NJOXWSOSUHGVHD-VIFPVBQESA-N 488.989 4.689 50 10 JJGE CC1(C)[C@H](CBr)CCN1C(=O)c1cc(Cl)ccc1I 2095212693 MBJFKFXLNLAPHX-VIFPVBQESA-N 456.549 4.580 50 10 JJGE CC1(C)CC[C@H](Br)CN1C(=O)c1cc(Cl)ccc1I 2099879783 ONGSQUUEGGVCEO-VIFPVBQESA-N 456.549 4.723 50 10 JJGE COc1cscc1[C@H](Br)c1cc(I)cc2c1OCC2 2100080308 VMTWWXFUAFLKDP-CYBMUJFWSA-N 451.123 4.781 50 10 JJGE COCCCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1C 2123268589 MARIVPZWJCGZDC-UHFFFAOYSA-N 460.821 4.771 50 10 JJGE CC(C)[C@@H]1[C@H](Cl)CCN1C(=O)c1cc(I)ccc1Br 2126095924 UTZGNQCVBJMKNQ-CHWSQXEVSA-N 456.549 4.532 50 10 JJGE C[C@@H]1CC[C@@H](CBr)N(C(=O)c2ccc(Cl)c(I)c2)C1 2268340229 KWJYUWSWXAQRQD-KOLCDFICSA-N 456.549 4.580 50 10 JJGE CC1(C)[C@@H](Br)CC[C@H]1NC(=O)Cc1cc(Br)cc(Br)c1 2295313430 JSHQMFLFJBFJNB-QWHCGFSZSA-N 468.027 4.822 50 10 JJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@@H]2CCCO2)cc1C 2296729516 TUVHMEAQHADDMQ-VWLOTQADSA-N 468.557 4.615 50 10 JJGE C[C@H](NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 2324599240 ZNDPYGSVDSSLAK-QHCPKHFHSA-N 450.586 4.678 50 10 JJGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)c1nc(-c2ccccc2)cs1 2331301117 YANICXKPNZGKIF-UHFFFAOYSA-N 464.506 4.951 50 10 JJGE COc1cc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccccc4C3=O)n2)c(OC)cc1Cl 2331377002 VLNUSPJOUKNIAA-UHFFFAOYSA-N 481.917 4.570 50 10 JJGE CN([C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12)S(=O)(=O)c1cc(CBr)cs1 2357090848 CSQJIJGRVDHBCR-RDGPPVDQSA-N 470.454 4.647 50 10 JJGE O=C(Nc1ccc(CBr)c(F)c1)c1cccc(F)c1I 2367667775 YCLWVXMGWJMNJX-UHFFFAOYSA-N 452.036 4.717 50 10 JJGE CCCc1nc(N2CCCN(C(=O)CCl)CC2)c2c(-c3cccc(C(F)(F)F)c3)noc2n1 34810438 BUMJYQQMNPPLQS-UHFFFAOYSA-N 481.906 4.534 50 10 JJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2c(C)cc(Br)cc2C)c(OC)c1 40865065 CCJFUEPVWGSXSW-LICLKQGHSA-N 488.334 4.529 50 10 JJGE Br[C@@H](c1csc(I)c1)c1ccc2c(c1)OCCCO2 124407170 HHWGTXLWNTXFSO-CQSZACIVSA-N 451.123 4.998 50 10 JJGE N#C/C(=C/Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1CCN(c2ccc(F)cc2)CC1 217237526 ONYKDXNXUXAAHX-YPKPFQOOSA-N 452.839 4.666 50 10 JJGE O=C(N[C@H]1CCCC[C@H]1CBr)c1ccc(Br)cc1Br 231612649 UTFDHCMLIHUPIR-ZANVPECISA-N 454.000 4.895 50 10 JJGE O=C(N[C@@H]1CCCCC[C@H]1Br)c1ccc(I)c(Cl)c1 232349829 WHQAZBJXURXLCR-ZWNOBZJWSA-N 456.549 4.771 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N(CCBr)CC(F)(F)F 236124417 LKTDSQXXMBNLFL-UHFFFAOYSA-N 467.905 4.611 50 10 JJGE COc1cc(C=NNC(=O)COc2cccc(C)c2)ccc1OC(=O)c1ccc(Br)cc1 252622338 NTCBCPDLNNMCHZ-UHFFFAOYSA-N 497.345 4.514 50 10 JJGE CCN(CC)c1ccc(C(=O)NN=Cc2cc(Br)c(O)c(Br)c2)cc1 254446314 IJIRWSTXRFVJFJ-UHFFFAOYSA-N 469.177 4.527 50 10 JJGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2ccc(F)cc2)cc1 254554720 YKAAOHDMUOUNKJ-UHFFFAOYSA-N 469.472 4.595 50 10 JJGE CC(C)C(=O)[C@@H](Br)Cc1ccc(I)c(Br)c1 300912007 SAJVXJDNGVEWQQ-JTQLQIEISA-N 459.947 4.585 50 10 JJGE COc1cc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)ccc1C 394683460 DKNGEEWYGJEEKI-OALUTQOASA-N 465.331 4.791 50 10 JJGE C[C@H](Br)[C@@H]1CCCCN1C(=O)c1ccc(I)c(Cl)c1 688779245 XOEKMCGEVKECSY-ZANVPECISA-N 456.549 4.723 50 10 JJGE O=C(CSc1cccc2cccnc12)NN=Cc1ccc(OCc2nc3ccccc3[nH]2)cc1 1084340406 ISQNLERVQQKCBK-UHFFFAOYSA-N 467.554 4.933 50 10 JJGE CCOc1ccc(OC)cc1C=NNC(=O)COc1ccc2ccccc2c1Br 1565517785 GONZUGXGRWLNIA-UHFFFAOYSA-N 457.324 4.539 50 10 JJGE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NNc2ccccc2F)ccc1Cl 1631029102 CEQMDSMYHXGSEM-UHFFFAOYSA-N 459.930 4.617 50 10 JJGE Cc1c(C(=O)NCc2cccnc2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772747325 GFZHNLBVLKDRKX-UHFFFAOYSA-N 452.514 4.537 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)cc(Br)c1O 1865688293 OODULBYPJUOEBO-OAQYLSRUSA-N 495.377 4.633 50 10 JJGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)[C@H]2CCCN2Cc2ccccc2F)c2ccccc2)cc1 1866916427 CACWDTHKGVHFHT-RPBOFIJWSA-N 488.588 4.859 50 10 JJGE CN(C[C@@H](Cl)COCc1ccccc1)c1ncc(C(F)(F)F)cc1I 1916352585 ALUXKKSZWXYMHQ-CQSZACIVSA-N 484.687 4.965 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2014553631 NFGDMOLJUABACX-IRXDYDNUSA-N 477.737 4.906 50 10 JJGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CO[C@H]2COC[C@@H]12 2040324143 CNTTUINQPJHCEK-LHKPINMVSA-N 481.431 4.977 50 10 JJGE O=C(CBr)c1c(I)ccc(C(F)F)c1OC(F)(F)F 2060384540 VEHRFDXWSCPVRT-UHFFFAOYSA-N 458.946 4.705 50 10 JJGE C[C@@H](Br)[C@@H](NC(=O)c1cc(Br)c(Br)s1)C(F)(F)F 2074715218 DSQVQZWZWRRCMC-AWFVSMACSA-N 473.934 4.717 50 10 JJGE CC(C)N(C[C@@H](C)Br)C(=O)c1ccc(Br)cc1I 2086152167 XZWWZXWMGXVIJQ-SECBINFHSA-N 488.989 4.688 50 10 JJGE O=C(N[C@@H]1CCC[C@@H]1CCBr)c1cccc(Br)c1Br 2092334075 FUCRZEDBIWSLRY-BXKDBHETSA-N 454.000 4.895 50 10 JJGE F[C@H]1CCO[C@@H]1CC(CBr)(CBr)c1ccc(Br)cc1 2122534492 UIFCOURGYKEJSA-QWHCGFSZSA-N 458.991 4.994 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNc1cc(Br)c(F)cc1[N+](=O)[O-] 2125302824 YCRNLWOHKLDCMG-UHFFFAOYSA-N 470.386 4.814 50 10 JJGE O=C(c1c(Br)cccc1Br)N1CC[C@H](Br)C(F)(F)CC1 2150503712 ONRCDLIZIMJEFV-JTQLQIEISA-N 475.953 4.846 50 10 JJGE C[C@@H](CCCCCI)NS(=O)(=O)c1cc(Cl)ccc1Cl 2174525988 GEDCYRGJBKZURP-JTQLQIEISA-N 450.169 4.656 50 10 JJGE Cn1nc(Br)c([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)n1 2226972645 QAQWHVOHBQJTNQ-LURJTMIESA-N 480.332 4.756 50 10 JJGE O=C(N[C@@H](CBr)[C@@H]1CC=CCC1)c1ccc(Cl)c(I)c1 2283665477 VXUDUSHEWMFOHO-YGRLFVJLSA-N 468.560 4.794 50 10 JJGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(Br)cc1F 2303544401 CMAJOGNDYANERK-HNNXBMFYSA-N 459.153 4.688 50 10 JJGE COc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OC 2313681166 PLPDORBDODGULP-UHFFFAOYSA-N 466.675 4.574 50 10 JJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1 2314610018 CBLBEACVRMZYED-UHFFFAOYSA-N 466.541 4.939 50 10 JJGE CCOc1c(Br)cc(C=CC(=O)Oc2cccc(C=C(C#N)C(=O)OC)c2)cc1OC 2314760704 YIXTYHYUWYLRAR-UHFFFAOYSA-N 486.318 4.555 50 10 JJGE COc1ccc(Br)cc1C=C1Oc2cc(OC(=O)C(Cl)Cl)ccc2C1=O 2323752236 LNJQVMDFQJFAOO-UHFFFAOYSA-N 458.091 4.783 50 10 JJGE COc1ccccc1OCC(O)=C(C#N)c1nc(-c2ccc(OC)c(OC)c2OC)cs1 2331413584 CEHGKNWGTOJBLB-UHFFFAOYSA-N 454.504 4.716 50 10 JJGE COC[C@H](C)OC[C@H](Br)CCc1ccc(Cl)cc1I 2341041537 LFXYSESWNWFFFZ-CMPLNLGQSA-N 461.565 4.692 50 10 JJGE FC1(F)CN(Cc2ccc(Cl)cc2I)CC[C@H]1CBr 2341049973 MSEFYPAJSPLXHF-JTQLQIEISA-N 464.519 4.797 50 10 JJGE CC(C)(C)OC(=O)NCC[C@@H]1CCN(C[C@H](Br)C(F)(F)F)[C@H](C(F)(F)F)C1 2362812580 CORMPEFUEYMGCP-WOPDTQHZSA-N 471.280 4.870 50 10 JJGE CC12CC(C1)[C@@H](CO[C@@H](CI)c1ccc(Br)cc1)CO2 2365844749 GVYMCKKJKVUMGJ-AYDDYBHNSA-N 451.142 4.757 50 10 JJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1 14036670 WLOVQQNWNPHUKP-UHFFFAOYSA-N 459.546 4.747 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)cc1OCC 38679424 OWTKDZJCTOSAMH-HHHXNRCGSA-N 470.525 4.850 50 10 JJGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)c1 38684907 KYMQLJNLKXJXFH-SANMLTNESA-N 470.525 4.905 50 10 JJGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccccc2OC)cc1 39858647 KGTHNNOKPHJCKS-MNDPQUGUSA-N 466.497 4.603 50 10 JJGE Cc1c(C(=O)N2CCCC[C@@H]2C)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813401 MPHXMQSIROXMOB-SCDXDFJTSA-N 472.929 4.635 50 10 JJGE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/C=N/NC(=O)COc1ccc(C2CCCCC2)cc1 59166601 SZHXLDKGMMUHFC-JVWAILMASA-N 475.549 4.974 50 10 JJGE CCCCNC(=O)c1cc2ccc(OC(=O)/C(C#N)=C\c3ccc(OCCC)cc3)cc2oc1=O 206427176 DWAHOVFUFCKMEH-ZHZULCJRSA-N 474.513 4.624 50 10 JJGE O=C(NN=Cc1ccc(-c2ccc(F)cc2)o1)c1ccccc1NS(=O)(=O)c1cccs1 254349637 XPHBFGPZSBNQAC-UHFFFAOYSA-N 469.519 4.712 50 10 JJGE Brc1cc2c(cc1[C@@H](Br)c1nscc1Br)OCCO2 404775651 LCCIXNAJRGSJJN-LLVKDONJSA-N 469.980 4.924 50 10 JJGE C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@@]2(C)[C@]1(OC(=O)c1ccco1)C(=O)CCl 504243562 PGAGVJAYRDPYKY-GIGDEEJVSA-N 484.976 4.668 50 10 JJGE O=C(c1ccc(F)c(F)c1F)N(CCNC=S)Nc1ccc(OCc2ccccc2)cc1 586421987 YZKJLWRBDNYIHN-UHFFFAOYSA-N 459.493 4.699 50 10 JJGE CC(C)(C)N(CCBr)C(=O)c1cc(I)ccc1Br 690979782 GMSRPCMRAUUKDP-UHFFFAOYSA-N 488.989 4.689 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@@H](CCl)[C@H](C(F)(F)F)C1 709786529 GECBYHAWTFZOPE-IYSWYEEDSA-N 455.521 4.762 50 10 JJGE Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c(C)n1CC(C)C 855280238 FQGYDHDBIWYYQJ-OXNWSPOFSA-N 464.591 4.660 50 10 JJGE O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NN=Cc1cc(Cl)cc(Cl)c1O 1084654625 KOQFCDQGVZLNBY-UHFFFAOYSA-N 468.240 4.868 50 10 JJGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc3c(c2)OCCO3)c1 1865698217 NLEWVTQNNJUUKF-HXUWFJFHSA-N 482.462 4.556 50 10 JJGE CCCNCc1cc(Br)cc(Br)c1OC[C@H]1C[C@H]1Br 1887833838 ZKDLABALYBATTF-ZYHUDNBSSA-N 456.016 4.873 50 10 JJGE Brc1ccc(I)cc1COC[C@H]1C[C@H](Br)C1 1902303675 OKYRQUPZBVBPSX-CZMCAQCFSA-N 459.947 4.744 50 10 JJGE CC(C)(CI)COCc1cc(I)ccc1Cl 1904949166 ADEPFFPOEFKYFW-UHFFFAOYSA-N 464.512 4.922 50 10 JJGE O=C(NCC[C@H]1CCC[C@@H]1Cl)c1cc(I)ccc1Br 1913712610 DRYWEGSNTXHHFO-RNCFNFMXSA-N 456.549 4.581 50 10 JJGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 1915074221 OQJWIRZHVLOSAH-HNNXBMFYSA-N 461.219 4.814 50 10 JJGE BrCC(CBr)(Cc1cc(Br)sn1)C1CCOCC1 2084077239 NYIJQBZDODAYNT-UHFFFAOYSA-N 462.045 4.651 50 10 JJGE CC[C@@H](C)[C@H](CI)NC(=O)c1cc(Cl)c(C)c(Br)c1 2136494891 UQFUNFMTPJKNIA-OQPBUACISA-N 458.565 4.990 50 10 JJGE O=C(NC[C@@H]1CCCC[C@H](Br)C1)c1cccc(F)c1I 2163751081 LRULOOJZMKQOLQ-MNOVXSKESA-N 454.121 4.504 50 10 JJGE O=C(NC[C@@]12CCC[C@@]1(CBr)C2)c1cc(Br)cc(Br)c1 2208039794 NFBZBUKUAGTXTF-GJZGRUSLSA-N 466.011 4.897 50 10 JJGE CC1CC(CBr)(CN=[S@@](=O)(C(C)C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 2265305194 ZEDGRNORXGQCIV-OCFKUCDFSA-N 451.471 4.683 50 10 JJGE C[C@@H]1Oc2ccccc2C=C1C=NNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 2297731151 VBYRVFSKLIRPLQ-SBUREZEXSA-N 474.561 4.570 50 10 JJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C(C)(C)C)cc2)c(OC)c1 2314785098 GOCUEDVXXWABCI-UHFFFAOYSA-N 464.562 4.800 50 10 JJGE Brc1cc(CN2CC[C@@H](Br)[C@@H]2C2CC2)ccc1I 2325206912 LXKGRCDRVVDUAT-RISCZKNCSA-N 485.001 4.802 50 10 JJGE F[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1cc(I)ccc1Cl 2352432299 RASHSOOQJQJTPX-WVWOOGAGSA-N 458.540 4.783 50 10 JJGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 14643411 JYWWEHYQNPXCDX-GOSISDBHSA-N 497.389 4.873 50 10 JJGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccc(F)cc3)ccc21 38650517 ZHUALONWKUJPQL-PUAOIOHZSA-N 474.488 4.815 50 10 JJGE Cc1ccccc1NC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2C)nc2ccccn2c1=O 39993060 YXMQXBPZDANYJB-HMMYKYKNSA-N 450.498 4.958 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1c(C)ccc(C)c1C 40870093 LCCQYVOTRSTIHS-ZVHZXABRSA-N 484.552 4.828 50 10 JJGE C=CCOc1c(CC=C)cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OCC 58895410 SJGQUJLCKBISDT-BLLBTQLLSA-N 466.578 4.741 50 10 JJGE Cn1c(=O)n(C)c2cc([C@H](Br)c3cc(Br)c(Br)s3)ccc21 128560224 RUVFXPWAZGFXKK-LBPRGKRZSA-N 495.034 4.948 50 10 JJGE O=S(=O)(NC[C@H]1CCC[C@H]1CBr)c1c(Cl)cc(Br)cc1Cl 136721031 IOCSKOGQYISMQU-DTWKUNHWSA-N 480.049 4.845 50 10 JJGE COc1ccc(Cl)c(CC(=O)N/N=C/c2cccc(OC)c2OCc2cccc(C)c2)c1 169922198 CVWGSUBUYRZKQW-JFLMPSFJSA-N 452.938 4.937 50 10 JJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)c1 205649670 IQJJADSFNKUWTQ-SZOICLBVSA-N 454.482 4.541 50 10 JJGE CN(C(=O)c1cc(Cl)ccc1I)[C@H]1CCCC[C@H]1Br 234315547 HVXCIDRZBRZKJL-YPMHNXCESA-N 456.549 4.723 50 10 JJGE COc1cc(C=NNC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc(I)c1O 252613124 IYQVPDMRIOLQMI-IRXDYDNUSA-N 492.357 4.557 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cc(F)cc(F)c2)C1 382708491 VSNJDVOTAKFEIX-QAPCUYQASA-N 457.258 4.752 50 10 JJGE Nc1cc(Br)ccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CBr 394686519 HWJWYPXLTQMKLE-RHSMWYFYSA-N 468.189 4.778 50 10 JJGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3cnn(C)c3Br)c2O1 720052639 NRSYROIATFYRNH-KRTXAFLBSA-N 464.983 4.753 50 10 JJGE CC1(C)CC[C@H](CCl)N(C(=O)c2ccc(I)c(Br)c2)C1 721505471 BCXBVXUGCUTOSS-LLVKDONJSA-N 470.576 4.923 50 10 JJGE O=C(NNC(=O)c1ccccc1OCc1ccc(F)cc1)N[C@@H]1C[C@@H]1c1cccc(Br)c1 726718681 NWJFJZYMGBJEFV-NHCUHLMSSA-N 498.352 4.667 50 10 JJGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1083889411 TUMYOFAABJWGPA-UHFFFAOYSA-N 492.538 4.666 50 10 JJGE CCOc1cc(C=NNC(=O)c2cccnc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1083938388 DWLZSNUJPVWKLJ-UHFFFAOYSA-N 474.395 4.964 50 10 JJGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccccc1OCc1ccc(Br)cc1 1084450902 RLXKXRLFMIMIAZ-JOCHJYFZSA-N 467.363 4.992 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCC)cc2OCC)cc1 1084613955 VPSRRFDQKJCKGO-FQEVSTJZSA-N 493.398 4.609 50 10 JJGE O=C(CBr)Nc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)cc2)cc1 1859474811 RYZNZAFEMJKXQN-RTBURBONSA-N 475.339 4.642 50 10 JJGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(Br)cc1 1865691178 LSQHOUIHVUQHOZ-NRFANRHFSA-N 463.335 4.726 50 10 JJGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccccc1 1865694127 UMWSJEHTTSJHDQ-SFHVURJKSA-N 470.451 4.907 50 10 JJGE COc1cc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OCc1cccc(Cl)c1 1873792513 GAXOROHOYBUYKK-VATWTLTGSA-N 490.000 4.927 50 10 JJGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1COCCO1 1923068138 NMUBWIGREINJAT-INEUFUBQSA-N 455.393 4.778 50 10 JJGE O=C1Cc2cc([C@@H](Br)c3csnc3Br)c(Br)cc2N1 1925251486 WMCAORQYVWDVDH-LLVKDONJSA-N 466.980 4.647 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCNC1CCC2(CC1)C[C@@H]2NC(=O)OC(C)(C)C 2010827640 UMXNDPTTYHBDKV-JQHMZKTJSA-N 475.721 4.708 50 10 JJGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC[C@@H]1C[C@@H]1C1CCCCC1 2022595091 ROGLTSOQRKKWCX-FCEWJHQRSA-N 451.389 4.938 50 10 JJGE CC(C)[C@@H](Br)c1cn(-c2ccc(I)cc2Br)nn1 2057428714 FKQONYADTGIWBR-GFCCVEGCSA-N 484.961 4.726 50 10 JJGE CSc1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)cn1 2078933891 ZYNOXKNWEWREPI-UHFFFAOYSA-N 478.075 4.508 50 10 JJGE O=C(NC[C@H]1CCCC[C@H]1Br)c1c(Br)cccc1Br 2094088631 NEYBQTOKKIYVNS-NXEZZACHSA-N 454.000 4.895 50 10 JJGE CN([C@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)cs1 2123228885 FVZUSDYVHGEKCK-WMZOPIPTSA-N 458.443 4.647 50 10 JJGE CCCOc1ccc(S(=O)(=O)N(Cc2ccccc2)CC(F)F)cc1CBr 2179825323 GBCYDUXDXHZSDT-UHFFFAOYSA-N 462.356 4.826 50 10 JJGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1ccc(CCCBr)cc1 2179858146 KRODCHKYLTWYHB-UHFFFAOYSA-N 454.430 4.632 50 10 JJGE CCn1cc(Br)c([C@H](Cl)c2cc(I)cc3c2OCC3)n1 2181177952 SYTHLOBZWYDVBG-GFCCVEGCSA-N 467.532 4.533 50 10 JJGE O=C(NC[C@]1(CBr)C[C@@H]1C(F)(F)F)c1cc(Br)sc1Br 2192581420 PUCRJQWNGJAALX-QUBYGPBYSA-N 499.972 4.966 50 10 JJGE O=C(NC[C@H]1CCCC[C@H]1CCl)c1ccc(Br)cc1I 2207268690 NDYBUHVZNAULTK-WDEREUQCSA-N 470.576 4.829 50 10 JJGE CC(C)N(CCCCCI)CC1CCN(C(=O)OC(C)(C)C)CC1 2214704322 CITOQGPCJLBULT-UHFFFAOYSA-N 452.421 4.949 50 10 JJGE BrCC(CBr)(Cc1ncsc1Br)C1CCOCC1 2219010933 MJOFDEOAYWNBAD-UHFFFAOYSA-N 462.045 4.651 50 10 JJGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCS(=O)(=O)C2)c(C)c1Br 2227350579 IEQRQHBSLKSYQV-NOZJJQNGSA-N 475.040 4.699 50 10 JJGE Cc1ccc(I)c(C(=O)N[C@@H](CBr)C2CCCCC2)c1 2240905845 OCBQUVQBUSQAIA-HNNXBMFYSA-N 450.158 4.673 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCC(=O)O 2297533675 FVCNRIOTQLJZIV-UHFFFAOYSA-N 479.714 4.510 50 10 JJGE CCNC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(N3CCCCC3)o2)sc2c1CCCC2 2314646836 QIGYDJRCOHVPRR-UHFFFAOYSA-N 452.580 4.506 50 10 JJGE CCOc1ccc([C@H](Br)c2c(Br)ncn2C)cc1Br 2337272180 GAADPFTYKGYNCQ-NSHDSACASA-N 452.972 4.828 50 10 JJGE O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1cc(Br)ccc1O 3091681 OVPLPFZLMKUODA-SSDVNMTOSA-N 462.141 4.763 50 10 JJGE O=C(COc1ccc(Br)cc1Cl)N/N=C/c1cc(Cl)cc(Cl)c1O 13977852 KQTAYIPORXTOJA-CGOBSMCZSA-N 452.519 4.644 50 10 JJGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)c1ccccc1OCCOc1ccccc1 14040600 ZDPDRJSGMAOTPV-UHFFFAOYSA-N 482.536 4.651 50 10 JJGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1cccc(C)c1 32519995 RGLCMSBUFWZVES-VULFUBBASA-N 460.559 4.701 50 10 JJGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2)c(OC)c1 98028219 CDSUHUGGWPGQEZ-FXBPSFAMSA-N 476.573 4.966 50 10 JJGE O=S(=O)(N[C@H](CBr)c1ccccc1)c1cc(Br)ccc1Br 136899507 SWXFXODKXCCJNL-CYBMUJFWSA-N 498.034 4.626 50 10 JJGE CCN(CC)c1c(/C=N/NC(=O)CNc2cccc3ccccc23)c(C)nn1-c1ccccc1 253559870 ACQSAUBMNVYRLG-RDRPBHBLSA-N 454.578 4.742 50 10 JJGE O=C(COc1cccc2ccccc12)NN=Cc1ccc(OC(=O)/C=C\c2ccccc2)cc1 254762060 BPDRDBHSFFWBMV-XCAUKLPNSA-N 450.494 4.988 50 10 JJGE CC[C@H]1[C@@H](CBr)CCN1C(=O)c1cc(Br)c(Br)s1 385745854 VSDUUCYSXYDWTJ-APPZFPTMSA-N 460.029 4.909 50 10 JJGE Nc1cc(Br)ccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CBr 394686521 HWJWYPXLTQMKLE-WMLDXEAASA-N 468.189 4.778 50 10 JJGE BrCc1cc(Br)c(Br)cc1I 575694893 PZVNIFVTDUSACI-UHFFFAOYSA-N 454.725 4.711 50 10 JJGE C[C@H]1CCCN(C(=O)c2cc(Br)ccc2Br)[C@H]1CBr 688678399 IJHXRPBNRBBGQM-ZANVPECISA-N 454.000 4.847 50 10 JJGE O=C(N[C@H](CBr)CC(F)(F)F)c1cc(Br)c(Br)s1 717844393 NLJVLWJHPHQYST-BYPYZUCNSA-N 473.934 4.719 50 10 JJGE C[C@@H]1[C@@H](Cl)C[C@H]2CC[C@H]1N2C(=O)c1ccc(I)c(Br)c1 721596120 ZVUBOALWLPGVTK-QLXFMQRKSA-N 468.560 4.674 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c(-c2ccccc2)n1 914465198 HARQTCDTCLBRKY-QJOMJCCJSA-N 499.018 4.805 50 10 JJGE C#CCOc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1CC=C 1084613202 ILOAXRDJOMLBLN-QHCPKHFHSA-N 499.405 4.552 50 10 JJGE CC(=O)c1ccc(Oc2ccc(C(=O)NNc3nc(-c4cccnc4)nc(C)c3C)cc2)cc1 1457669595 MORDCXDSPKIKCD-UHFFFAOYSA-N 453.502 4.907 50 10 JJGE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NN(C)c2ccccc2)ccc1Cl 1611209806 PXWFZFGZMOJFFL-UHFFFAOYSA-N 455.967 4.503 50 10 JJGE Cc1c(C(=O)NCCc2ccccc2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747296 FXHDBNFETSKZFB-UHFFFAOYSA-N 494.935 4.593 50 10 JJGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)c1 1865690486 SRTVXMGBVYPFAA-FQEVSTJZSA-N 451.324 4.560 50 10 JJGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1865700521 WFVJQARATPKDNX-XMMPIXPASA-N 463.541 4.837 50 10 JJGE CC[C@@](C)(NC(=O)CCCc1ccc(OC)c(OC)c1)C(=O)Nc1ccc(SC#N)cc1 1866786170 LJYVEWPAOGFKDE-XMMPIXPASA-N 455.580 4.523 50 10 JJGE Cc1nsc(Br)c1[C@H](Br)c1cc2c(cc1Br)NC(=O)C2 1912982974 TZEITRLGCFRMTB-GFCCVEGCSA-N 481.007 4.955 50 10 JJGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cc(F)ccc1Br 1916389998 WOZHDTURSKLBKU-CQSZACIVSA-N 459.153 4.641 50 10 JJGE O=S1(=O)CCC([C@@H](Br)c2cc(Br)c(Br)s2)CC1 1942225487 HCBDBYFPJRQKIS-SECBINFHSA-N 467.042 4.534 50 10 JJGE CC(C)C[C@@H](CNCCSSCCNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C 1985349831 HELYGDKLHJFTDH-KRWDZBQOSA-N 465.726 4.669 50 10 JJGE O=C(N[C@@H]1CCC[C@H](CBr)C1)c1csc(Br)c1Br 2032953060 BRKALASDCDWFCQ-JGVFFNPUSA-N 460.029 4.957 50 10 JJGE CSCC[C@@H](Br)CCNC(=O)c1csc(Br)c1Br 2032958787 MFQWOVVLZJDQFB-ZETCQYMHSA-N 480.085 4.910 50 10 JJGE O=C(NC[C@@H](CBr)C(F)(F)F)c1ccc(Br)cc1Br 2105272312 WLPVDVKAKOARIC-ZCFIWIBFSA-N 467.905 4.515 50 10 JJGE C[C@H]1CC[C@H](CBr)N(C(=O)c2cccc(Br)c2Br)C1 2110611824 JUXSYXDVDKWSBU-VHSXEESVSA-N 454.000 4.847 50 10 JJGE C[C@H]1CC[C@H](CCl)N(C(=O)c2cc(Br)ccc2I)C1 2110618621 YGZXPUXAYFTLRY-GXSJLCMTSA-N 456.549 4.533 50 10 JJGE CC1(C)CN(Cc2cc(Br)ccc2Br)C[C@H](CBr)O1 2118519475 KKMIFGBTEWDFQJ-LBPRGKRZSA-N 456.016 4.586 50 10 JJGE CC1(C)CCC[C@]1(CBr)NC(=O)c1cccc(F)c1I 2150546759 HNQQHVMROURJNI-OAHLLOKOSA-N 454.121 4.504 50 10 JJGE O=S1(=O)CCc2cc([C@H](Cl)c3sc(Br)cc3Br)ccc21 2170069995 IDGMZLYINDUXQT-LBPRGKRZSA-N 456.608 4.931 50 10 JJGE O=S(=O)(c1cc(Cl)c(Br)s1)N(CCBr)Cc1cccs1 2171102320 VKDLTDKHPTWWTJ-UHFFFAOYSA-N 479.668 4.811 50 10 JJGE C[C@H]1CN(C(=O)c2cc(Br)ccc2I)CC[C@@H]1CCCl 2172479538 ZPDFJAGPCHICQK-QWRGUYRKSA-N 470.576 4.781 50 10 JJGE C[C@@H](CCCCCI)NS(=O)(=O)c1cc(Cl)cc(Cl)c1 2174527591 UMGJPXDHTPCDQN-JTQLQIEISA-N 450.169 4.656 50 10 JJGE O=S(=O)(c1cc(Cl)cc(CBr)c1F)N1CCC[C@@H](OCc2ccccc2)C1 2186388184 AYTJEPUHZTUEJQ-QGZVFWFLSA-N 476.795 4.744 50 10 JJGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2[C@H]3CS(=O)(=O)C[C@H]32)c1Br 2201079334 RTALCXQFTPYDAA-XSPYEYLBSA-N 487.051 4.555 50 10 JJGE O=S(=O)(c1cc(Cl)c(Br)s1)N1[C@@H](CBr)CCC12CCC2 2205756550 DVYCMOYILRFDSV-MRVPVSSYSA-N 463.644 4.635 50 10 JJGE O=C(c1ccc(Br)cc1I)N1C[C@H](Cl)CC2(CCC2)C1 2207265317 PMIBRILJPKWVGT-LLVKDONJSA-N 468.560 4.677 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(CCCCCI)C2)C1 2220221616 DESIOVYSKRRTDX-ZWKOTPCHSA-N 464.432 4.951 50 10 JJGE ClCc1nc2cncnc2n1-c1cc(Br)c(Br)c(Br)c1 2235279571 WXUSLCVRMDNGNU-UHFFFAOYSA-N 481.373 4.842 50 10 JJGE BrC[C@]12CCCO[C@@H]1CN(Cc1ccc(Br)cc1Br)C2 2238828818 XMHUDHLSBIOGCT-CABCVRRESA-N 468.027 4.588 50 10 JJGE CCN(C[C@](C)(CI)OCCc1ccc(F)cc1)C(=O)OC(C)(C)C 2263402663 RQTQPJYTBLCTCZ-IBGZPJMESA-N 465.347 4.836 50 10 JJGE Brc1cccc([C@H](CI)OC2(C3CCCC3)COC2)c1 2288566033 HTRXCZVLQDMYJQ-HNNXBMFYSA-N 451.142 4.901 50 10 JJGE CC[C@@H](C)[C@H](CI)NCc1ccc(Cl)c(I)c1 2300238913 QWCOKFPTBGBCPR-RNCFNFMXSA-N 477.555 4.884 50 10 JJGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593986 XCLVLWVXXBWHDX-CLOONOSVSA-N 483.593 4.999 50 10 JJGE CCOc1cc(C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314617978 DZCMAEWMKGOEBY-UHFFFAOYSA-N 494.975 4.946 50 10 JJGE CCCn1nc(Br)nc1C[C@@H](Br)c1cccc(Br)c1 2353724280 JCRYSFQNARSERI-LLVKDONJSA-N 451.988 4.892 50 10 JJGE O=C(Nc1ccc(CBr)c(F)c1)c1c(F)cccc1I 2367678664 SHPNPEUABIPPGC-UHFFFAOYSA-N 452.036 4.717 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 38655033 XNEWBWBZEJYYPJ-HSZRJFAPSA-N 461.861 4.614 50 10 JJGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1/C(=N/NC(=O)c1ccccn1)CCC2 40814260 SFKLPWFUOBUCTF-GKSOTIHOSA-N 460.509 4.574 50 10 JJGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O 101341415 NVLOPZMQRSTYBI-GZTJUZNOSA-N 473.312 4.799 50 10 JJGE Cc1cc(C(=O)NNC(=O)C2(c3cccc(C(F)(F)F)c3)CCOCC2)c(C)n1-c1ccccc1 108789185 RLHCRGFCXCKFSK-UHFFFAOYSA-N 485.506 4.622 50 10 JJGE CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1OC 206684181 GBVWKYQAZZDTAY-SHWPBCIMSA-N 486.524 4.919 50 10 JJGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1 206688789 VEYMNSMCYYCSGK-MMWZYAKZSA-N 456.498 4.911 50 10 JJGE O=C(/C=C/c1ccccc1)Oc1ccc(C=NNC(=O)C(=O)Nc2cccc3ccccc23)cc1 254871976 JXMHRWWUOVQRBV-ZKSJOLQTSA-N 463.493 4.547 50 10 JJGE Nc1cccc(Cl)c1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382704616 DZLABESXDHOPNH-CABCVRRESA-N 470.738 4.709 50 10 JJGE CC[C@H]1[C@@H](CBr)CCN1C(=O)c1cc(Br)ccc1Br 386323177 UKMXWMHDWLVDQF-RNCFNFMXSA-N 454.000 4.847 50 10 JJGE C[C@H](Br)[C@H]1CCCN(C(=O)c2ccc(Br)cc2Br)C1 689041985 CJJVQOYPKJDLSE-UWVGGRQHSA-N 454.000 4.847 50 10 JJGE CCn1cc([C@@H](Br)c2ccc(OC)c(Br)c2)nc1Br 700616520 QDHZGVPEKWZZPS-LBPRGKRZSA-N 452.972 4.921 50 10 JJGE O=C(NC[C@@H]1CCC[C@H](Br)C1)c1scc(Br)c1Br 705405233 HRIOHYMZWNRWDX-SFYZADRCSA-N 460.029 4.957 50 10 JJGE CC[C@@H](C[C@H](C)Br)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 716935462 PJEMFUYJIXOIBF-CBAPKCEASA-N 468.038 4.986 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(OC(F)(F)F)cc2)[C@@H](CI)C1 725425036 NNDRVDWDMPIDIO-GXTWGEPZSA-N 471.257 4.971 50 10 JJGE C[C@@H]1CCCC[C@@H]1OCCNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 916060709 CROZFBAJSQDSSR-CERSOQDNSA-N 465.985 4.736 50 10 JJGE Cc1cc(C=NNC(=O)CC(=O)NCc2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1083887289 CKCIKBOFOZFPRB-UHFFFAOYSA-N 457.361 4.558 50 10 JJGE CC(=NNC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccccc1O 1084381173 GYSFWYYMWBMBIT-UHFFFAOYSA-N 492.167 4.990 50 10 JJGE C/C(=C/C(=O)NNc1c(Br)cc(Br)cc1Br)C1CC1 1147838002 OMDQCUNBPBTNMZ-DAXSKMNVSA-N 452.972 4.774 50 10 JJGE C/C(=C/C(=O)NNC(=O)[C@@H](C)Oc1c(C)cc(Cl)cc1C)c1ccccc1C(F)(F)F 1289990860 RHPQWONPMFNZGU-QYMJWVLRSA-N 454.876 4.994 50 10 JJGE O=C(OCc1ccccc1)N1C[C@@H](CCl)[C@@H](c2ccc([N+](=O)[O-])cc2Br)C1 1614641272 FUNHXRCDIIBPMN-PBHICJAKSA-N 453.720 4.948 50 10 JJGE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865694975 GYZXVRWDUURHSH-SANMLTNESA-N 493.567 4.944 50 10 JJGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696634 PAGRNHCUSHFION-IBGZPJMESA-N 451.324 4.511 50 10 JJGE CSCC[C@@H](NC(=O)c1nc(CC(C)C)n2ccccc12)C(=O)Nc1ccc(SC#N)cc1 1866867303 AJELPEOAHYASRZ-LJQANCHMSA-N 481.647 4.596 50 10 JJGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3c(O)ccc4cc(Br)ccc34)nc2c1 1872727738 XJPYPMMWWFWPDO-NTEUORMPSA-N 476.286 4.807 50 10 JJGE CCOc1cc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCc1ccccc1 1873793297 HTLOFKHIDFIOKX-XLKFHUSGSA-N 467.566 4.514 50 10 JJGE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCCC[C@H]3CCSS3)cc2)n1 1874192267 FOCBFSDTXNHOCH-KRWDZBQOSA-N 466.654 4.547 50 10 JJGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cc(Br)ccc1F 1916383535 KXCXKHDEHRWRNL-HNNXBMFYSA-N 459.153 4.641 50 10 JJGE CCC[C@@H](Br)CCNC(=O)c1cc(Br)ccc1I 2029920574 BFYTXAULOOAIIM-SECBINFHSA-N 488.989 4.737 50 10 JJGE C[C@H]1C[C@H](Br)[C@H](C)CN1C(=O)c1cc(Br)sc1Br 2032202465 PIWJQOTURIJSGM-FJXKBIBVSA-N 460.029 4.907 50 10 JJGE O=C(c1csc(Br)c1Br)N1[C@H]2CC[C@@H]1C[C@@H](Br)C2 2037416228 ISZSXHIMDNNJDF-WHUPJOBBSA-N 458.013 4.804 50 10 JJGE FC(F)(F)c1ccc(-n2nc(CBr)c(Br)c2C(F)(F)F)nc1 2078911986 DPSZKLNRTZSDSI-UHFFFAOYSA-N 452.978 4.962 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CC[C@@H](CBr)C(F)(F)C1 2090184850 WJYJSXTXCRCJHQ-LURJTMIESA-N 481.982 4.765 50 10 JJGE C[C@H]1C[C@@H](CBr)CCN1C(=O)c1cc(Cl)ccc1I 2115842996 JTTLIUOGIZQYHB-UWVGGRQHSA-N 456.549 4.580 50 10 JJGE C[C@@H](Br)CCCc1cn(-c2ccc(I)c(Br)c2)nn1 2132763299 MRMZMPLWQZVWPU-SECBINFHSA-N 498.988 4.741 50 10 JJGE CC(C)(C)C[C@@H](Cl)CNC(=O)c1ccc(Br)cc1I 2142285071 KTTWAYAICDIAJU-SNVBAGLBSA-N 458.565 4.827 50 10 JJGE O=S(=O)(NC1(CCBr)CCC1)c1c(Cl)cc(Br)cc1Cl 2146297006 IVWOEJLSVCOYMJ-UHFFFAOYSA-N 466.022 4.742 50 10 JJGE CC(C)CN(CCCCCI)C[C@H]1CCCN1C(=O)OC(C)(C)C 2214704508 FPUXLONMTHFTFS-QGZVFWFLSA-N 452.421 4.949 50 10 JJGE CC(C)(C)OC(=O)N1CCC[C@H]1CN(CCCCCI)CC1CC1 2214705113 NNNLDMMGKZLDGF-KRWDZBQOSA-N 450.405 4.703 50 10 JJGE BrC[C@@]12CCCO[C@@H]1CN(Cc1c(Br)cccc1Br)C2 2239163854 RDTGIMDLTDCQRT-HUUCEWRRSA-N 468.027 4.588 50 10 JJGE C[C@]1(CNC(=O)c2ccc(Br)cc2I)CCC[C@@H]1Cl 2271296006 UVZVVTHANJRQJS-GXTWGEPZSA-N 456.549 4.581 50 10 JJGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)NC)cc1 2314592712 AELLNBQOPKHYOP-LJQANCHMSA-N 460.386 4.728 50 10 JJGE COc1cc(C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314618329 LMJXIBPWSQMKKD-NRFANRHFSA-N 492.959 4.699 50 10 JJGE COc1ccc(N(C(=O)C(C#N)=Cc2ccccc2OC)S(=O)(=O)c2ccccc2)cc1Cl 2314777783 UOISNALSWGNMBM-UHFFFAOYSA-N 482.945 4.686 50 10 JJGE COc1ccc([C@H](Br)c2c(Br)nc(C)n2C)cc1Br 2337319321 LULWFOFIOWUOFU-NSHDSACASA-N 452.972 4.746 50 10 JJGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2OCCO[C@@H]2C)c1Br 2365234373 IRIFNMCVCPEIQQ-XTWCZFFVSA-N 472.999 4.769 50 10 JJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccccc3OCCc3ccccc3)cc2)c1 10509078 RNMWNVFAPKBJFZ-UHFFFAOYSA-N 493.563 4.944 50 10 JJGE N#C/C(=C/c1ccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)cc1)c1cccc(Cl)c1 31901529 RERDUOWSBNGWPT-RGEXLXHISA-N 456.885 4.996 50 10 JJGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OC(C)C 34696070 VYONFKARWQLCLM-DIXABZHVSA-N 470.573 4.837 50 10 JJGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(Oc3cc(C)cc(C)c3)nc3ccccn3c2=O)cc1 35549860 LTQZNGODSFWUDZ-JCMHNJIXSA-N 471.538 4.750 50 10 JJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)c1 38659992 PRSZALOYZVNVDA-RUZDIDTESA-N 492.915 4.560 50 10 JJGE COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C)cc3C)nc3c(C)cccn3c2=O)c1 39858877 BYRSLHHXDIUZAX-ZHZULCJRSA-N 480.524 4.966 50 10 JJGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)c1 40529796 LDWABQXVSFARIN-VWLOTQADSA-N 454.482 4.697 50 10 JJGE Cc1c(C(=O)Nc2ccccn2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40822084 MLGOCOZQZFMBMK-LQKURTRISA-N 487.343 4.778 50 10 JJGE Cc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)cc1 40823123 FYWMCUKARWLETO-NLRVBDNBSA-N 482.334 4.744 50 10 JJGE O=C(CSCc1ccc(Cl)cc1)N/N=C1\C(=O)N(Cc2ccccc2F)c2ccccc21 59148339 NZVGPUKYCINMAQ-NFFVHWSESA-N 467.953 4.780 50 10 JJGE CCOc1ccccc1NC(=O)N/N=C/c1ccc(OCc2cccc(C(=O)O)c2)c(OC)c1 59247777 SQSSAKYHHOWYKI-CVKSISIWSA-N 463.490 4.527 50 10 JJGE CCCN1C(=O)N[C@H](c2cccc(NC(=O)C(Cl)Cl)c2)C(C(=O)OCC)=C1c1ccccc1 103199352 SMIIJKHYBQMPGX-LJQANCHMSA-N 490.387 4.880 50 10 JJGE O=C(COc1ccc(-c2ccccc2)cc1)NN=Cc1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1 254842331 DMTRAYBQKHLBRC-UHFFFAOYSA-N 494.503 4.831 50 10 JJGE CS(=O)(=O)c1ccc(OCC(=O)N(N=Cc2ccccc2)c2cccc(C(F)(F)F)c2)cc1 255301100 CWAKOEXYBCZIBF-UHFFFAOYSA-N 476.476 4.555 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 1255128322 BLJSNPSKHBKLJR-WKCHPHFGSA-N 451.702 4.678 50 10 JJGE CCC[C@@H](NC(=O)NNC(=O)c1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 1318199932 OLMQGEKDCDZPAJ-MRXNPFEDSA-N 458.278 4.953 50 10 JJGE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NNc1ncccc1C 1447728470 OCOOCDZYBHXSCQ-DEOSSOPVSA-N 456.546 4.707 50 10 JJGE O=C(Nc1cc([N+](=O)[O-])ccc1Cl)S[C@H]1[C@H](Cl)[C@H](Cl)N[C@H](Cl)[C@@H]1Cl 1615949152 ULQNVJBLNOZLKP-HQUNYVMJSA-N 453.562 4.830 50 10 JJGE Cc1ccc(C(C)(C)C)c(OCC(=O)NN=C2C(=O)N(Cc3ccccc3)c3ccccc32)c1 1772752422 KDIUYCPVBFBMNF-UHFFFAOYSA-N 455.558 4.739 50 10 JJGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])s3)n2)cc1 1860569480 DXFDQPZYOYAXOY-CSKARUKUSA-N 451.489 4.529 50 10 JJGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@H]1C[C@H]1Br 1887726336 YUUKOTMLKPZOHO-XLPZGREQSA-N 457.512 4.863 50 10 JJGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)CCc1cccc(F)c1Br 1905345078 YDLBPESZQPUZRF-LBPRGKRZSA-N 455.121 4.581 50 10 JJGE Cc1c(Br)sc([C@H](Br)[C@H]2CCCS2(=O)=O)c1Br 1922906569 KUXPOOGWWVUWAR-HTRCEHHLSA-N 467.042 4.595 50 10 JJGE O=S1(=O)CC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923050810 ZVSDGKQLDZPUFF-INEUFUBQSA-N 487.460 4.797 50 10 JJGE Br[C@H](c1cc(I)cc2c1OCC2)[C@H]1C[C@H](Br)C1 2020157412 LJCYFADSUAZVBS-AUTRQRHGSA-N 471.958 4.836 50 10 JJGE C[C@H]1CN(C(=O)c2cccc(Br)c2Br)C[C@]1(C)CBr 2092332798 JTCYLGNFGZWSCR-XPTSAGLGSA-N 454.000 4.705 50 10 JJGE Cc1c([C@@H](Br)[C@@H](C)c2ccncc2Br)c(Br)nn1C 2131590396 OSRDCXDECPMISP-MADCSZMMSA-N 451.988 4.888 50 10 JJGE O=S1(=O)C[C@@H]2CCC[C@]2([C@H](Br)c2cc(Br)c(Br)s2)C1 2137224494 BMKBYJGOAQCXAJ-KOLSJAJHSA-N 493.080 4.924 50 10 JJGE CC1(C[S@](C)(=O)=NC[C@@H](CBr)c2ccccc2)CN(C(=O)OC(C)(C)C)C1 2192784580 JKKMRZAOOLNVMR-CRYYWNKWSA-N 459.450 4.520 50 10 JJGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C[C@H]1COCCN1Cc1ccccc1 2194649437 MOJLCKRMOWVJHN-QAPCUYQASA-N 495.792 4.842 50 10 JJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1ccc(I)c(Cl)c1 2204561652 GMRJGUNHOFDOAP-CBRVECNMSA-N 468.560 4.627 50 10 JJGE CCN(C[C@](C)(CBr)O[C@@H]1CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2242040831 ZMBMIFOGKUGTOK-KNQAVFIVSA-N 455.437 4.688 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N1CCC[C@H](Br)CC1 2277936714 OKUCVNOYYKVOJN-NSHDSACASA-N 454.000 4.530 50 10 JJGE BrCc1cnc(OCc2cc(I)ccc2Br)s1 2302780868 OIZCIBCFSDAGOX-UHFFFAOYSA-N 488.970 4.984 50 10 JJGE Cc1cccc(C(=O)N[C@@H](CCBr)COCc2ccccc2)c1Br 2303544465 DGZAZOYGBWBIPE-INIZCTEOSA-N 455.190 4.858 50 10 JJGE Cc1cc(Br)c(F)c(C(=O)N[C@H](CCBr)COCc2ccccc2)c1 2320361652 UFJKSKHKZLFGLV-OAHLLOKOSA-N 473.180 4.997 50 10 JJGE CC(C)(CI)CN1C[C@@H](NC(=O)OC(C)(C)C)CCc2ccccc21 2326677697 URJCHTODAAQLGI-INIZCTEOSA-N 458.384 4.794 50 10 JJGE COc1cc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCc1ccc(Cl)cc1 2328799170 OBSNRXPXSZHAOR-FQEVSTJZSA-N 487.984 4.777 50 10 JJGE N#CC(=C(O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2ccc(F)cc2F)cs1 2331292989 GHXCUQUEPPKPIX-UHFFFAOYSA-N 459.861 4.960 50 10 JJGE F[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(Cl)cc1I 2341014507 YURHRWCROHMUSQ-ZMJPVWNMSA-N 458.540 4.783 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@H]2CC(Br)C[C@@H](C2)C1 2364159740 ZYROZALDYALWMS-NXEZZACHSA-N 466.011 4.847 50 10 JJGE COc1cccc([C@H](CI)OCc2cccc(I)c2)c1 2367343178 JKKHQUAJPNCZLV-INIZCTEOSA-N 494.110 4.993 50 10 JJGE CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 35446210 HUVDSSFNHGEYDD-KGENOOAVSA-N 452.489 4.910 50 10 JJGE Cc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C)cc3C)nc3ccccn3c2=O)c1 39993131 JLTIZILJKJDUFT-HMMYKYKNSA-N 450.498 4.958 50 10 JJGE O=C(NNc1ncnc(Oc2ccc3ccccc3c2)c1[N+](=O)[O-])c1ccccc1Br 40586656 HUIYMSKIHSNLGQ-UHFFFAOYSA-N 480.278 4.850 50 10 JJGE CCCCOc1ccc(/C=N/NC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)cc1OC 40847055 GXQOEIWBCSJOLK-ZVHZXABRSA-N 459.568 4.757 50 10 JJGE COc1cccc(O[C@H](C)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)c1 40960749 FXEVBKBUJOPGJL-VSWHYLHOSA-N 468.937 4.854 50 10 JJGE COc1ccc2cc(C(=O)N/N=C/c3c(O)c([N+](=O)[O-])cc4oc5c(c34)CCCC5)ccc2c1 96286819 DIPNNMPFLKSPKX-LGJNPRDNSA-N 459.458 4.851 50 10 JJGE COc1ccc(OC)c([C@@H](C(=O)NC2CCC(C)CC2)N(Cc2ccc(F)cc2)C(=O)CCl)c1 97914776 GDVFERDKKAFTQO-ZPZJFZDTSA-N 491.003 4.847 50 10 JJGE O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@@H]2[C@@H](c3cccc(Br)c3)c3sc(=S)[nH]c3S[C@@H]12 101202154 YMHCYOGCTFCMAD-AOUWHDERSA-N 480.430 4.756 50 10 JJGE c1ccc(P(C[C@@H]2C[C@@H](P(c3ccccc3)c3ccccc3)CN2)c2ccccc2)cc1 103642028 PQHKXSOICTYGQD-PWUYWRBVSA-N 453.506 4.983 50 10 JJGE O=S(=O)(NC[C@H](Br)c1ccccc1)c1cc(Cl)c(Br)s1 136748553 GKLJHHDUDBRIKW-VIFPVBQESA-N 459.612 4.579 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(F)cc1 206689238 QPWNIIUNBFKWHB-ITZXJQBVSA-N 460.461 4.660 50 10 JJGE CCOC(=O)c1ccccc1N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216487441 LZWREPPEBLPCII-LVWGJNHUSA-N 494.595 4.616 50 10 JJGE O=C(CSc1nc2ccccc2n1Cc1ccccc1)NN=C/C=C/c1ccccc1[N+](=O)[O-] 254395185 CLLYKSAPCHNZJF-DATGSYBNSA-N 471.542 4.900 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccccc3)n2-c2ccccc2)cc1OC 254667982 FXPJDEIOAKLWGT-UHFFFAOYSA-N 487.585 4.584 50 10 JJGE CCCC(=O)[C@@H](Br)Cc1cc(I)ccc1Br 300903508 MTCJWDCUAJMOBO-NSHDSACASA-N 459.947 4.729 50 10 JJGE C[C@@H](Br)[C@H]1CCCCN1C(=O)c1ccc(I)c(Cl)c1 688779242 XOEKMCGEVKECSY-NOZJJQNGSA-N 456.549 4.723 50 10 JJGE BrCc1cc(Br)cc(Br)c1OCCOC1CCOCC1 701316087 ADAZEBAOTUZONO-UHFFFAOYSA-N 472.999 4.681 50 10 JJGE CCOc1cc(C=NNC(=O)c2cc3ccccc3cc2O)ccc1OC(=O)c1ccccc1OC 1084008885 SXHWXCDBXLLZHO-UHFFFAOYSA-N 484.508 4.936 50 10 JJGE O=C(NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1ccccc1F 1084195417 XCNQWMWETHBIGC-UHFFFAOYSA-N 460.292 4.800 50 10 JJGE CC(C)(C)OC(=O)NN(C(=O)c1cc(Cl)cc(S(=O)(=O)c2ccccc2)c1)C(C)(C)C 1088694941 CMZPURNLMLLDFY-UHFFFAOYSA-N 466.987 4.853 50 10 JJGE C#CCOc1ccccc1CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OCC)cc2)c1C 1126240356 MTIFNXPTZXHSDY-ULJHMMPZSA-N 453.542 4.728 50 10 JJGE CCCCOc1ccc(C=NNC(=O)COc2c(C)cc(Br)cc2C)cc1OC 1772753391 ZCMKUYRSRACMKX-UHFFFAOYSA-N 463.372 4.783 50 10 JJGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(OCC)c1)C(C#N)=C(N)O2 1865681778 WVCKFYHVBPLAFT-NRFANRHFSA-N 450.926 4.801 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1ccc2c(c1)OCCO2 1865698457 UJQIZGJCEQVWRM-XMMPIXPASA-N 480.499 4.727 50 10 JJGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2OC(C)C)cc1 1865704789 DXBYDRJPPHFKHT-LJQANCHMSA-N 470.451 4.905 50 10 JJGE CC[C@@H](Cl)CN(Cc1ccccc1)C(=O)c1c(Br)c(Br)nn1C 1901043507 UTIQEQATCIQMRN-GFCCVEGCSA-N 463.601 4.605 50 10 JJGE O=C(NCC[C@@H]1CCC[C@@H]1Br)c1cc(Br)cc(Br)c1 1913719942 AIGRPLGHZJHDRD-ZANVPECISA-N 454.000 4.895 50 10 JJGE CC1(C)C[C@@H](Br)CN(C(=O)c2cc(Br)c(Br)s2)C1 1923153126 XEYQBRHIUPPTAZ-SSDOTTSWSA-N 460.029 4.909 50 10 JJGE CN(C[C@@H]1CCC[C@@H]1Br)C(=O)c1csc(Br)c1Br 2032955726 DNXRGRVTDWSBMK-CBAPKCEASA-N 460.029 4.909 50 10 JJGE O=C(N[C@H]1CCC[C@@H](CBr)C1)c1cccc(Br)c1Br 2092340067 LXIJIRCRGRLHQQ-ZJUUUORDSA-N 454.000 4.895 50 10 JJGE COC[C@H](C)OC[C@@H](Br)CCc1ccc(Br)cc1Br 2099441051 HBYICCGCAUSSEP-GWCFXTLKSA-N 459.016 4.959 50 10 JJGE C[C@H](Br)C[C@H]1COCCN1Cc1cc(Br)ccc1Br 2128882125 WEWOSJJKPMKFJU-GWCFXTLKSA-N 456.016 4.586 50 10 JJGE CCN(C[C@](C)(CI)OC[C@@H]1C[C@H]1C1CCOCC1)C(=O)OC(C)(C)C 2135988758 FCMUNUSGXZAZPR-ZWOKBUDYSA-N 481.415 4.516 50 10 JJGE CCC[C@H](Br)CCNC(=O)Cc1cc(Br)cc(Br)c1 2277920077 YFAJSOSNOYUKQH-NSHDSACASA-N 456.016 4.824 50 10 JJGE CN(C(=O)Cc1cc(Br)cc(Br)c1)[C@H]1CCC[C@@H]1Br 2277936491 XMBZHLXNFVMURR-STQMWFEESA-N 454.000 4.529 50 10 JJGE CCCN(C[C@@H](C)Br)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2288028800 WECRLGSXSFWUMX-MRVPVSSYSA-N 468.038 4.940 50 10 JJGE CN(C(=O)Cc1cc(Br)cc(Br)c1)[C@@H]1CCCC[C@@H]1Br 2295307962 RAQQERUBLDIMAN-UONOGXRCSA-N 468.027 4.919 50 10 JJGE Cc1cc(C=C(C#N)C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1CC(C)C 2297487240 VJIASPVXVONJRT-UHFFFAOYSA-N 464.591 4.662 50 10 JJGE BrC[C@]1(Cc2ccc(I)c(Br)c2)CCCOC1 2306222690 XLMUQMCMZIAJKD-CYBMUJFWSA-N 473.974 4.788 50 10 JJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCC)c(OC)c2)sc2c1CCCC2 2314728832 MXGHSJWWJXSXFY-UHFFFAOYSA-N 454.548 4.757 50 10 JJGE BrCc1ccnc(OCc2cc(I)ccc2Br)c1 2319166479 FDUNRDSLZAJNEG-UHFFFAOYSA-N 482.941 4.923 50 10 JJGE Oc1nc2cc([C@H](Br)c3cnsc3Br)c(Br)cc2[nH]1 2337304348 SBZIOVJYJBQHMG-VIFPVBQESA-N 467.968 4.734 50 10 JJGE C[C@H](Br)CN(C(=O)c1ccc(Cl)cc1I)C(C)(C)C 2340060396 BVDKAUAMIOJLSF-VIFPVBQESA-N 458.565 4.969 50 10 JJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2c(Br)cccc2Br)[C@@H]1C 2344514105 SNVNQGJEWKNUNM-AEJSXWLSSA-N 454.000 4.846 50 10 JJGE FC1(F)CC(CCl)(CNCc2ccc(I)c(Br)c2)C1 2349862228 YXQLVSLMFFVYOZ-UHFFFAOYSA-N 464.519 4.798 50 10 JJGE O=C(N/N=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1)c1ccccc1O 3118070 RPXZBSGQROYQLF-SSDVNMTOSA-N 495.498 4.733 50 10 JJGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1C(C)C 9231564 DIWHSBVZNRBNIV-MRXNPFEDSA-N 477.399 4.691 50 10 JJGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 14022072 IIFKPRRPWMTJPP-UHFFFAOYSA-N 461.587 4.728 50 10 JJGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)c1ccc(OCCOc2ccccc2)cc1 14039520 VQMPJRSYFCUJGA-UHFFFAOYSA-N 482.536 4.651 50 10 JJGE CCOc1cc(/C=C2/C(=O)N(CC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 38603347 GQNLVIUTIWUARH-UDWIEESQSA-N 450.922 4.930 50 10 JJGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1 38649499 IGYIBYNEOHLDCM-AREMUKBSSA-N 485.496 4.921 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1 38650421 QMDVWJVCVKVIDW-JOCHJYFZSA-N 477.860 4.694 50 10 JJGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2)ccc1Cl 38652897 MSRUSSPLUSVONL-XMMPIXPASA-N 464.880 4.990 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)c(OC)c1 38657145 FNOILAIECHJZHE-HSZRJFAPSA-N 462.889 4.795 50 10 JJGE CC(C)COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3cccc4ccccc34)c2N)cc1 40782986 FVOJFOIIUBYEGQ-UHFFFAOYSA-N 470.533 4.525 50 10 JJGE CCOc1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 40912326 BBSQTOKYOPAMJM-CVKSISIWSA-N 483.362 4.956 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3C)c2C)cc1 58893378 LSYBTWCBMJBZLS-SDEVNZIBSA-N 478.549 4.673 50 10 JJGE COc1cc(Br)c(OCC2(CBr)CCOCC2)cc1Br 118817063 ZSRYXQRHRGVXLK-UHFFFAOYSA-N 472.999 4.791 50 10 JJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C\c1ccc(F)cc1 206689199 QPWNIIUNBFKWHB-GJGBNZORSA-N 460.461 4.660 50 10 JJGE C=CCOc1ccc(Br)cc1C(=O)NN=Cc1cc(Br)ccc1OC 254498353 AVNWGZLEPRRTTC-UHFFFAOYSA-N 468.145 4.549 50 10 JJGE O=C(NN=Cc1ccccc1C(F)(F)F)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 254743612 JYKGQTOSMZHTNM-UHFFFAOYSA-N 481.883 4.924 50 10 JJGE CC(C)[C@@H](CCBr)NC(=O)c1ccc(I)c(Br)c1 721616476 UQXHWEHHYNSVTB-GFCCVEGCSA-N 488.989 4.593 50 10 JJGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc([N+](=O)[O-])c(O)cc2O)cc1 1084444640 FXEGIQNTZHUZOR-UHFFFAOYSA-N 456.458 4.536 50 10 JJGE CC(=O)c1c(C)cc(NC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1C 1219968261 DBAFANOQWHAJKM-UHFFFAOYSA-N 452.338 4.825 50 10 JJGE O=[N+]([O-])c1cc([C@@H]2CN(Cc3ccccc3)C[C@H]2CBr)ccc1Br 1614624234 SPKSIIQMWVHSSH-CVEARBPZSA-N 454.162 4.968 50 10 JJGE COc1ccc(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1Cl 1858687965 SIAVBZKXYFUUSU-CYBMUJFWSA-N 486.868 4.669 50 10 JJGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1cccc(F)c1 1865694219 VYTQPUGYFNIVPC-QFIPXVFZSA-N 462.525 4.648 50 10 JJGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc1OC 1865697659 YUJALFVEHUDDDY-XMMPIXPASA-N 462.525 4.785 50 10 JJGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706188 PTWTZGCNDJPXTA-IBGZPJMESA-N 470.316 4.927 50 10 JJGE CSCC[C@H](NC(=O)c1nc(CC(C)C)n2ccccc12)C(=O)Nc1ccc(SC#N)cc1 1866867297 AJELPEOAHYASRZ-IBGZPJMESA-N 481.647 4.596 50 10 JJGE N#C/C(=C\c1ccccc1)C(=O)N1CCN(C(=O)c2cc3ccccc3n2Cc2ccccc2)CC1 1873778794 QMJUXYSXJZLRKR-LGUFXXKBSA-N 474.564 4.581 50 10 JJGE COC[C@](C)(COc1c(Br)cc(Br)cc1CBr)OC 1895828704 AHHPZHUAXDTPQD-CYBMUJFWSA-N 460.988 4.537 50 10 JJGE Cn1cc(Br)c([C@@H](Cl)c2sc(Cl)cc2I)n1 1901024999 BVUCTDGWZDDQIH-SSDOTTSWSA-N 451.942 4.830 50 10 JJGE CC(C)[C@@H](CCl)N(Cc1ccccc1)C(=O)c1ccc(I)c(O)c1 1915288695 MDWWOHIRPRRHOC-QGZVFWFLSA-N 457.739 4.903 50 10 JJGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1ccc(Br)cc1F 1916390601 ZEFRHEIDJVBMIX-OAHLLOKOSA-N 459.153 4.641 50 10 JJGE CS(=O)(=O)C1([C@@H](Br)c2sc(Br)cc2Br)CCC1 2001802421 FVFYSWSEQCRRNN-VIFPVBQESA-N 467.042 4.676 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 2010826038 VNMZUTQKHCFYTC-ZWKOTPCHSA-N 477.737 4.956 50 10 JJGE Cc1cc(Br)c([C@@H](Br)C2(S(C)(=O)=O)CC2)cc1Br 2048935387 MLSWWLCURVWKPO-LLVKDONJSA-N 461.013 4.533 50 10 JJGE CN(C(=O)c1scc(Br)c1Br)[C@@H](CCBr)C(F)F 2058232765 FWGPBGGMAXXAHQ-LURJTMIESA-N 469.971 4.764 50 10 JJGE O=C(CBr)c1cc(OC(F)(F)F)c(I)c(C(F)F)c1 2060392480 PZYAPTYKTRIQBN-UHFFFAOYSA-N 458.946 4.705 50 10 JJGE C[C@H]1CC[C@H](CBr)N(C(=O)c2cc(Br)cc(Br)c2)C1 2110616254 JXVRQXNDAHXNSD-TVQRCGJNSA-N 454.000 4.847 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@H](Br)[C@H]2CC[C@@H]21 2133723440 PPXMQKYXOGBHHL-AGIUHOORSA-N 451.984 4.600 50 10 JJGE CC(C)[C@@H]1[C@H](Cl)CCN1C(=O)c1ccc(Br)cc1I 2142279668 STGNNGLMCXTKDW-DGCLKSJQSA-N 456.549 4.532 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H]2CCC[C@H](C1)C2Br 2167782205 XBUGWZOTYFLPNR-BVUQATHDSA-N 468.560 4.580 50 10 JJGE Cc1ccc(I)c(C(=O)N[C@@H]2C[C@H](Br)CC(C)(C)C2)c1 2240924095 JYBYATCOWXSQAJ-NWDGAFQWSA-N 450.158 4.672 50 10 JJGE COc1ccc([C@@H](Cl)c2cc(I)sn2)cc1I 2248887670 STFFVFSFIKOZSB-LLVKDONJSA-N 491.519 4.689 50 10 JJGE O=C(NC1CCC(CBr)CC1)c1ccc(Cl)c(I)c1 2268345992 HMVBBRNSPMYCIX-UHFFFAOYSA-N 456.549 4.628 50 10 JJGE C[C@H]1CC[C@](CBr)(NC(=O)c2ccc(Cl)c(I)c2)C1 2268351530 LRCFQDKWRYKSAN-XPTSAGLGSA-N 456.549 4.628 50 10 JJGE CN(CCCCCBr)C(=O)Cc1cc(Br)cc(Br)c1 2277933117 OVDWZAREBCHZHR-UHFFFAOYSA-N 456.016 4.778 50 10 JJGE COc1ccc([C@@H](Br)[C@@]23CC[C@@](CF)(C2)OC3)cc1I 2290448213 ICKNDKWSAICSMS-ILXRZTDVSA-N 455.105 4.645 50 10 JJGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cccc(Br)c1F 2303547316 RZNCONKGGPBLQZ-CQSZACIVSA-N 459.153 4.688 50 10 JJGE C[C@]1(CBr)CCCN1Cc1ccc(I)c(Br)c1 2306227199 KCKCTLJVVICDBO-CYBMUJFWSA-N 472.990 4.803 50 10 JJGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCc2cccc(C3CCC3)c2)C1 2320668269 BXCFMUKBZHQMIQ-QZTJIDSGSA-N 457.352 4.894 50 10 JJGE CC(=O)c1ccc(-c2ccc(C=NNC(=O)COc3ccc(C(=O)NCc4ccccc4)cc3)o2)cc1 2321698137 MTELKFAQRAKMMW-UHFFFAOYSA-N 495.535 4.608 50 10 JJGE Clc1ccc(I)cc1CN1CCC2(CC1)C[C@H]2CBr 2352420801 JMLRPUNLNRPCKB-LBPRGKRZSA-N 454.577 4.942 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1CC[C@H]2CC[C@@H](Br)[C@@H]1C2 2355761269 RNLFNDYVHRELFX-FZQKWOKYSA-N 466.011 4.990 50 10 JJGE Cn1cc([C@@H](Br)c2cc3c(cc2Br)OCCC3)c(Br)n1 2369621876 QNODZCYQYXCSTL-ZDUSSCGKSA-N 464.983 4.754 50 10 JJGE CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(Cc4ccccc4)C(=O)C(C#N)=C3C)o2)cc1 38605905 UDWVEBYKEVGZJA-HZHRSRAPSA-N 466.493 4.916 50 10 JJGE O=C(NNc1ncnc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-])c1ccccc1Br 40646582 XANZWYKMUJKRIZ-UHFFFAOYSA-N 498.124 4.955 50 10 JJGE Cc1c(C(=O)NCc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813444 WPJYLKQNQZVCFS-OVVQPSECSA-N 480.908 4.550 50 10 JJGE COc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1OC 58835120 HTELLTXOLHUULN-JFLMPSFJSA-N 468.937 4.638 50 10 JJGE O=C(N/N=C/c1ccc2c(c1)OCO2)c1cc(Br)ccc1OCc1ccccc1 96095908 VVWRRDDAUPPRSP-WYMPLXKRSA-N 453.292 4.521 50 10 JJGE O=C(NC[C@@H]1CCC[C@H]1CBr)c1cc(Br)ccc1Br 161228055 HVOOCCOLHNNOMH-UWVGGRQHSA-N 454.000 4.753 50 10 JJGE O=C(NN=Cc1ccc(-c2ccc(Br)cc2)o1)c1cc(Br)ccc1O 254339377 ANSDPUDVALIDBF-UHFFFAOYSA-N 464.113 4.941 50 10 JJGE Cc1ccc(CSc2nnc(SCC(=O)NN=CC(=S)Nc3ccccc3)s2)cc1 254572029 BDUJHLBRERTFDV-UHFFFAOYSA-N 473.674 4.772 50 10 JJGE COc1ccc(C(=O)Nc2cccc(C(C)=NNC(=O)c3ccc4ccccc4c3O)c2)cc1OC 254735221 XGSQDTZHJBYSHB-UHFFFAOYSA-N 483.524 4.969 50 10 JJGE CC(C)(C)OC(=O)NCCC[C@@H]1C(=O)OC(=O)N1C(=O)OCC1c2ccccc2-c2ccccc21 309872892 HDWRWWXDRHOOTK-OAQYLSRUSA-N 480.517 4.588 50 10 JJGE COc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1C 382729269 SWCIOBLJGPBGHV-OALUTQOASA-N 465.331 4.791 50 10 JJGE O=S(=O)(NCCCN(Cc1ccccc1)Cc1ccccc1)c1ccc(CBr)cc1 390521993 GVWYIKGSLGJNNT-UHFFFAOYSA-N 487.463 4.952 50 10 JJGE CC(C)(C)OC(=O)NCCN1CCNC[C@@H]1c1ccccc1CCO[Si](C)(C)C(C)(C)C 616603166 FPCWFMZQCHSHNC-JOCHJYFZSA-N 463.739 4.722 50 10 JJGE CC1(C)CO[C@H](C[C@@H](Br)c2cc(I)cc3c2OCC3)C1 717148383 IMQDQSIESWLUDC-TZMCWYRMSA-N 451.142 4.867 50 10 JJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(F)c(F)c1 1084411601 GDMWCAQYWIRNMQ-CQSZACIVSA-N 490.967 4.639 50 10 JJGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772744718 IFTGIXPSPXKMLJ-UHFFFAOYSA-N 454.486 4.565 50 10 JJGE Cc1cccc(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)c1C 1858685143 GZZJSGNYNKXUDI-OAHLLOKOSA-N 468.441 4.763 50 10 JJGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(C)cc1 1865691730 ZQONZBFWASKYTM-IBGZPJMESA-N 452.436 4.983 50 10 JJGE Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 1865759861 WAEDOBUJIAGRIE-CYBMUJFWSA-N 462.308 4.731 50 10 JJGE CSCC[C@@H](NC(=O)c1cc(C)n(-c2cccc(C)c2)n1)C(=O)Nc1ccc(SC#N)cc1 1866846983 JKQJCYRSBGZGIA-OAQYLSRUSA-N 479.631 4.553 50 10 JJGE C[C@@H]1CC[C@](CCl)(NC(=O)c2ccc(I)c(Br)c2)C1 1880930659 DHGIXUCLZVKACQ-OTYXRUKQSA-N 456.549 4.581 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2065405628 CQFPZMVUCQHNJD-JIGDXULJSA-N 458.013 4.519 50 10 JJGE O=C(c1scc(Br)c1Br)N1CC[C@H](Br)[C@@H]2CC[C@H]21 2069990853 JCOPNLQYYYKIQK-ACLDMZEESA-N 458.013 4.661 50 10 JJGE CC(C)[C@H]1[C@@H](Cl)CCN1C(=O)c1ccc(I)c(Br)c1 2126077235 NLMRLDRRXJPZMS-AAEUAGOBSA-N 456.549 4.532 50 10 JJGE FC1(F)CCN(Cc2ccc(I)c(Cl)c2)C[C@H]1CBr 2142950885 VPZXFAUSXOBEDZ-SNVBAGLBSA-N 464.519 4.797 50 10 JJGE CN([C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21)S(=O)(=O)c1ccsc1CBr 2190549034 WMDNJCSIIWLDRW-BSDSXHPESA-N 470.454 4.647 50 10 JJGE CC(C)c1cc(Br)cc(C(=O)NC(C)(CBr)CBr)c1 2266019381 VRXFHWDDHLGSAG-UHFFFAOYSA-N 456.016 4.851 50 10 JJGE CC(C)(C)C[C@H](Br)CNC(=O)c1ccc(Cl)c(I)c1 2268344005 CIYJAKBPYCIRDK-JTQLQIEISA-N 458.565 4.874 50 10 JJGE CCc1ccccc1NC(=O)C(C#N)=Cc1cc(Br)c(I)o1 2293163838 QITLBOZEDZXJMJ-UHFFFAOYSA-N 471.092 4.755 50 10 JJGE CCOC(=O)C(C#N)=Cc1ccc(NC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)cc1 2297487601 GOUSUFOJSGRCSA-UHFFFAOYSA-N 462.506 4.698 50 10 JJGE CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 2313518511 HAFKAKXSRXZTRR-UHFFFAOYSA-N 482.705 4.898 50 10 JJGE CC(C=Cc1ccccc1)=NNC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 2313588995 NTJCPCUCKNVNHC-UHFFFAOYSA-N 454.559 4.627 50 10 JJGE C[C@H](Br)CCCN(C)C(=O)c1ccc(I)c(Br)c1 2314463686 ANBNMYDEHSAHIU-VIFPVBQESA-N 488.989 4.689 50 10 JJGE CCN(Cc1ccccc1)c1ccc(C=NNC(=O)c2cc(-c3ccccc3)nc(O)n2)cc1 2323692101 DDSNNEBHKKCVOL-UHFFFAOYSA-N 451.530 4.640 50 10 JJGE CC(C)(CI)CN1CC[C@](NC(=O)OC(C)(C)C)(c2ccccc2)C1 2326677893 VRPJRZXBLNOXOK-HXUWFJFHSA-N 458.384 4.574 50 10 JJGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NN=Cc1ccc(OCc2ccccc2F)cc1 2328827605 BKBMBVXHLXKWBD-VWLOTQADSA-N 491.563 4.991 50 10 JJGE COc1ccc(CCN2C[C@@H](C(O)=C(C#N)c3nc(-c4cccs4)cs3)CC2=O)cc1OC 2331326846 VPEVMUPAQPFCFT-INIZCTEOSA-N 481.599 4.773 50 10 JJGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCN4CCOCC4)c(OC)c3)n2)cc1 2331440380 LVUVQUVVIRVZTQ-UHFFFAOYSA-N 491.613 4.993 50 10 JJGE C[C@@H]1C[C@H](C(F)(F)F)N(C[C@@]2(CBr)CC2(F)F)CCN1C(=O)OC(C)(C)C 2379988214 VREPWJOMBKATKE-JMSVASOKSA-N 465.301 4.669 50 10 JJGE COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3F)cc2)cc1 867535 RULHJUBQZXHXRV-ATVHPVEESA-N 461.405 4.507 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14025621 USBIXZHBPOVFRB-UHFFFAOYSA-N 455.624 4.893 50 10 JJGE CCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(Br)cc1Cl 14035836 ALPWLVHZUXTLNZ-UHFFFAOYSA-N 469.763 4.512 50 10 JJGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)c1 38684425 GETNBPWSBYUZEU-MHZLTWQESA-N 470.525 4.986 50 10 JJGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cc(C)ccc2C(C)C)c(OC)c1 40877592 ONABMIFXSIFOFA-DEDYPNTBSA-N 450.535 4.545 50 10 JJGE C#CCOc1ccc(Br)cc1C=NNC(=O)[C@@H](C)Oc1cccc2ccccc12 252627711 RZZNKYIDHANPFA-MRXNPFEDSA-N 451.320 4.532 50 10 JJGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C)cc3)nnc2-c2ccccc2)cc1 254494273 MGBVPFGITUGVCX-UHFFFAOYSA-N 471.586 4.884 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)c(-c2ccccc2)n1 729381903 FFQUYPQBPJHXMV-BOPFTXTBSA-N 498.440 4.684 50 10 JJGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1C(=NNC(N)=O)CC(C)(C)C2 1772729344 VKJOGYMOODOQCN-UHFFFAOYSA-N 456.502 4.691 50 10 JJGE COc1cc(C=NNC(=O)COc2ccccc2Br)ccc1OCc1ccccc1 1772754651 NKBWEFDXDJHXQQ-UHFFFAOYSA-N 469.335 4.566 50 10 JJGE CCOc1cc(C=NNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc(Br)c1O 1772755861 HIBODHDOBKQSQD-ZDUSSCGKSA-N 469.763 4.741 50 10 JJGE CCOc1ccc(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858686656 CUELXXVSCTXKHR-CQSZACIVSA-N 484.440 4.545 50 10 JJGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cc(Cl)ccc1O)C(C#N)=C(N)O2 1865689129 KPSXUOGLADTUAW-SFHVURJKSA-N 471.742 4.774 50 10 JJGE C[C@H]1CC[C@@](CBr)(NC(=O)c2ccc(I)c(Cl)c2)C1 1880939427 ORZMHWZXEOMDHP-LKFCYVNXSA-N 456.549 4.628 50 10 JJGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCCCCCC(F)(F)F 1900518627 KJZNPSPZPCCMGK-CQSZACIVSA-N 453.283 4.844 50 10 JJGE FC(F)(F)Oc1cc(CCl)cc(I)c1I 2060236771 ZGYWUVGOPPWPRG-UHFFFAOYSA-N 462.374 4.533 50 10 JJGE O=C(c1csc(Br)c1Br)N1CC2(CC(CBr)C2)C1 2066460252 OWHPLMLBFQFSNZ-UHFFFAOYSA-N 458.013 4.520 50 10 JJGE CN(Cc1ccc(I)c(Cl)c1)[C@H](CCBr)C(F)F 2086654055 COTUKAWNNNVVPL-LLVKDONJSA-N 452.508 4.795 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1CCC([C@@H](F)CBr)CC1 2106953268 WPHQVTJZYIEMTF-VIFPVBQESA-N 478.019 4.858 50 10 JJGE COc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)C1CCC1 2123248168 VAHDZSMFFFCFOI-UHFFFAOYSA-N 458.805 4.987 50 10 JJGE C[C@H](Br)C[C@@H]1COCCN1Cc1c(Br)cccc1Br 2128864895 NBXOIQJSDXVLSF-WDEREUQCSA-N 456.016 4.586 50 10 JJGE CN(C(=O)c1ccc(I)c(Cl)c1)C1(CBr)CCSCC1 2171182968 VQRPACCEFAVSBR-UHFFFAOYSA-N 488.616 4.677 50 10 JJGE CC1(C)C[C@@H](CCl)CN(C(=O)c2ccc(I)c(Br)c2)C1 2172576203 YHRKWWZJODDLPF-JTQLQIEISA-N 470.576 4.781 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OCCOc1ccc(Br)cc1 2293335468 BLNWOQWCPQFADO-UHFFFAOYSA-N 497.345 4.732 50 10 JJGE O=C(Cc1cc(Br)cc(Br)c1)N(CCBr)C1CCCC1 2295314474 YJMMDIGWATXJQZ-UHFFFAOYSA-N 468.027 4.920 50 10 JJGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2c(O)ccc3ccccc23)cc1 2295523574 SVUUZLUQKHNIPT-UHFFFAOYSA-N 478.552 4.533 50 10 JJGE O=C(C=Cc1cccc2ccccc12)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 2313625099 YEIHPKRQLQMHCZ-UHFFFAOYSA-N 481.577 4.621 50 10 JJGE COc1ccc(CCN2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(F)cc4)cs3)CC2=O)cc1OC 2331343769 RFRRRHBPRADEIF-SFHVURJKSA-N 493.560 4.850 50 10 JJGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCN4CCOCC4)c(OC)c3)n2)cc1 2331431210 CCLQRAUVANBCBS-UHFFFAOYSA-N 477.586 4.602 50 10 JJGE CCC[C@H](Br)c1cn(Cc2ccc(Cl)cc2I)nn1 2341029526 GVBRIFMFWSNTAN-NSHDSACASA-N 454.537 4.821 50 10 JJGE Clc1ccc(I)cc1CN1C[C@@H]2CCC[C@H](Br)[C@H]2C1 2352422693 YCTPCTREHZEYJF-BPNCWPANSA-N 454.577 4.940 50 10 JJGE CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2C)cc(Br)c1O 20175530 AHKOWVNNHMGWCA-VULFUBBASA-N 496.361 4.878 50 10 JJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc1OCC 38678983 OFRHNFICPXODIP-VWLOTQADSA-N 456.498 4.921 50 10 JJGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C)cc3)ccc21 38681361 VLEMNGZMHBYATI-HHHXNRCGSA-N 470.525 4.986 50 10 JJGE N#C/C(=C/c1c(Oc2ccccc2)nc2ccccn2c1=O)C(=O)Nc1cccc(Br)c1 39858489 ZJWGCMAYPCDMRQ-SSZFMOIBSA-N 487.313 4.795 50 10 JJGE O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C1/C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 59153382 WQABHVRPBDFHJT-HPNDGRJYSA-N 483.311 4.511 50 10 JJGE CCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(Cc2ccco2)C(=O)CCl)cc1OC 97914939 SOGNWOUETUNRLZ-XMMPIXPASA-N 477.001 4.835 50 10 JJGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)NC)cc1 101240660 CQCHCJZWTHQCNX-ZSYKKXJESA-N 476.385 4.564 50 10 JJGE O=S(=O)(NC1(CBr)CCCC1)c1c(Cl)cc(Br)cc1Cl 136920779 KHTRFHLWEWGCPX-UHFFFAOYSA-N 466.022 4.742 50 10 JJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)c1OC 141060217 DQBGNCMYMNTJDJ-JOCHJYFZSA-N 450.498 4.775 50 10 JJGE CC(=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 254450005 QNFLEEXXVGIKOT-UHFFFAOYSA-N 486.557 4.783 50 10 JJGE Br[C@H](c1ccc2c(c1)OCCCO2)c1sccc1I 311479951 ATNRTXQTMBTRMG-CYBMUJFWSA-N 451.123 4.998 50 10 JJGE CC[C@H](Br)[C@H](CC)NC(=O)c1cc(Br)ccc1I 313088570 RBXHKAJRQKVJNO-JQWIXIFHSA-N 488.989 4.736 50 10 JJGE C[C@@H]1C[C@H](CBr)CN(C(=O)c2cc(Br)c(Br)s2)C1 398704509 UVRNIFCVMXHQLD-HTQZYQBOSA-N 460.029 4.766 50 10 JJGE O=C(c1ccc(I)c(Cl)c1)N1[C@H]2CC[C@H]1CC(CBr)C2 719302749 VGWKGVHGEPNAHY-RYUDHWBXSA-N 468.560 4.723 50 10 JJGE CC[C@H]1[C@@H](CCl)CCN1C(=O)c1ccc(I)c(Br)c1 721575721 BQDRHLKWHZZOAK-MFKMUULPSA-N 456.549 4.533 50 10 JJGE COc1cccc(C=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1OCc1ccc(Br)cc1 1084567402 ARHQERKAASSJHU-UHFFFAOYSA-N 498.333 4.638 50 10 JJGE C=CCOc1ccc(Br)cc1C=NNC(=O)[C@H](C)Oc1ccccc1Br 1084646857 DEVYARKBRVIADN-ZDUSSCGKSA-N 482.172 4.694 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 1255128320 BLJSNPSKHBKLJR-MZADTFQBSA-N 451.702 4.678 50 10 JJGE CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H](Br)[C@@]4(O)C(C)=O)[C@@H]3CC[C@@H]2C1 1565534925 GEVAMMLEIGNEOT-SNMIIHMXSA-N 455.433 4.654 50 10 JJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)ccc1O 1865681775 WTGGLJKDLRWKLC-XMMPIXPASA-N 480.524 4.870 50 10 JJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865687194 LRKMDJOWWKGJSJ-DEOSSOPVSA-N 482.515 4.978 50 10 JJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)cc1OCC 1865689279 OJKRJFYTNREOHJ-QFIPXVFZSA-N 460.534 4.594 50 10 JJGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865693751 YCFMDUKOKHQVIP-XMMPIXPASA-N 458.562 4.736 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706401 VWLLZUXKIILNKG-QFIPXVFZSA-N 465.469 4.674 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1865713119 RCTXFULEPNDRBC-QFIPXVFZSA-N 467.460 4.864 50 10 JJGE CCOc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1 1865759810 SYHBGKCCRUZCBX-UHFFFAOYSA-N 474.344 4.603 50 10 JJGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N(C)c2ccc(OC)c(OC)c2)n1 1868253468 IHCWPPUDGXQYCF-UHFFFAOYSA-N 451.552 4.767 50 10 JJGE C[C@@H](NC(=O)c1ccc(Br)cc1I)C(C)(C)CBr 2086144908 GHQPFCBRYZVVHQ-MRVPVSSYSA-N 488.989 4.593 50 10 JJGE CC1(C)C[C@@H](CCl)N(C(=O)c2cc(I)ccc2Br)C1 2094744325 POROUBLCDVXNHK-JTQLQIEISA-N 456.549 4.533 50 10 JJGE O=C(NCc1cc(Br)ccc1Br)[C@@H](Br)C1CCCC1 2110720226 BTOIUSUMIMCHJG-ZDUSSCGKSA-N 454.000 4.782 50 10 JJGE CC(C)[S@](=O)(=NCC1(CBr)CCCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2126849976 JPTKBKKSYDDQSV-YHAMSUFESA-N 451.471 4.828 50 10 JJGE COc1cc(F)c([C@H](Br)c2cn(C)nc2Br)cc1Br 2138148105 JMMGIPCMCIHDCO-NSHDSACASA-N 456.935 4.577 50 10 JJGE CC1(C)[C@H](Br)CC[C@H]1NC(=O)c1ccc(Br)cc1Br 2142133266 GHAQUZBWPCTXRD-VXGBXAGGSA-N 454.000 4.894 50 10 JJGE C[C@@H]1CCC[C@@](CBr)(NC(=O)c2cc(I)ccc2F)C1 2169665793 XDCVSOCOGMVWQM-MEBBXXQBSA-N 454.121 4.504 50 10 JJGE CC[C@H](C)[C@H](CBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 2201195692 LVWGWOKUCMOAKW-UFBFGSQYSA-N 492.071 4.608 50 10 JJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1cc(Br)cc(Br)c1 2204565621 WABSJZHVTYZGAZ-VGSLSFOHSA-N 466.011 4.894 50 10 JJGE O=C(Nc1ccc(Br)cc1I)[C@@H](Br)C1CCCC1 2223525986 VNXFSTMQNHQGMT-LBPRGKRZSA-N 486.973 4.946 50 10 JJGE C[C@]1(CNC(=O)c2scc(Br)c2Br)CCC[C@H]1Br 2258792533 ASWGWXUYCZLCIC-PRHODGIISA-N 460.029 4.957 50 10 JJGE CC1(C)OCCN(Cc2cccc(Br)c2Br)[C@H]1CBr 2267685751 HDDSZPOYRGDDAV-LBPRGKRZSA-N 456.016 4.586 50 10 JJGE O=C(N[C@H](CBr)c1cccs1)c1ccc(Cl)c(I)c1 2268358462 LZJMILDRZIRWCE-LLVKDONJSA-N 470.557 4.872 50 10 JJGE COc1ccccc1C=CC(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 2313620937 CBADSDCSJCKAMW-UHFFFAOYSA-N 471.557 4.719 50 10 JJGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1C(C)(C)C 2314737585 ZLYYOVRFFMVGQU-UHFFFAOYSA-N 488.540 4.793 50 10 JJGE N#CC(=C(O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(Cl)s2)cs1 2331402282 JYHBROLDUAITNJ-UHFFFAOYSA-N 472.891 4.522 50 10 JJGE O=S1(=O)CC[C@H]([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)C1 2337090096 IVIFFCGIIKLWAX-RRAGMBSWSA-N 454.970 4.719 50 10 JJGE C[C@]1(CNC(=O)c2ccc(Cl)cc2I)CCC[C@H]1Br 2340055783 BBSMSJQBCFEVDQ-TZMCWYRMSA-N 456.549 4.628 50 10 JJGE C[C@H](Br)CC(C)(C)CNC(=O)c1ccc(Cl)cc1I 2340057591 KDFABHFXMPNHRO-VIFPVBQESA-N 458.565 4.874 50 10 JJGE CC(C)(C)OC(=O)Nc1ccc([S@@](C)(=O)=NC[C@]2(CBr)CC2(F)F)cc1 2351887337 MPXJOMWQTSRPNA-AKJBCIBTSA-N 453.349 4.911 50 10 JJGE CN(Cc1c(Br)c(Br)nn1C)c1c(F)cccc1CBr 2364377199 SIKNPGUSTMFBCD-UHFFFAOYSA-N 469.978 4.616 50 10 JJGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 14036188 ZRAAJQHGSJBLDM-AWEZNQCLSA-N 498.432 4.665 50 10 JJGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 14036278 JZXWFERSRBEHBC-UHFFFAOYSA-N 491.613 4.784 50 10 JJGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(Cl)cc1C 14768574 YMMCFEQPFBPMMX-JOCHJYFZSA-N 452.938 4.699 50 10 JJGE CCOc1cc(/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 38606458 JPEMPEPZYFHPIP-HYARGMPZSA-N 494.975 4.946 50 10 JJGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2OC)c1 38657111 CCEQSYILBPRPLO-VWLOTQADSA-N 472.497 4.540 50 10 JJGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)c1 38684382 MGRSOQXOBLNHCR-AREMUKBSSA-N 456.498 4.678 50 10 JJGE Cc1c(Cl)cccc1Nc1ncnc(NNC(=O)c2ccc(Br)cc2)c1[N+](=O)[O-] 40588509 XZNMCSNQXNWPTP-UHFFFAOYSA-N 477.706 4.610 50 10 JJGE Nc1c(NNC(=O)c2cccc3ccccc23)ncnc1N(Cc1ccccc1)c1ccccn1 40793310 UOXZYTBJLGJMFT-UHFFFAOYSA-N 461.529 4.702 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(OC)c2)cc1 58893311 UVOKNXXPKAIMNA-WYDFGVIMSA-N 480.536 4.776 50 10 JJGE COc1cccc(Cn2cc(/C=C(/C#N)C(=O)NCCc3ccc(OC)c(OC)c3)c3ccccc32)c1 96438680 SCUYCBHGZFNZOY-QJOMJCCJSA-N 495.579 4.981 50 10 JJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 96585852 JRBXTRAQMVNNCP-OEAKJJBVSA-N 456.498 4.586 50 10 JJGE COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 98035266 FUSHYCWZQSONOP-ZHZULCJRSA-N 471.513 4.575 50 10 JJGE CCOC(=O)c1cccc(NC(=O)[C@H](Br)[C@@H](Br)c2ccccc2)c1 101642801 FOQBMBNBWMEGGZ-JKSUJKDBSA-N 455.146 4.702 50 10 JJGE O=C(c1cc(Br)c(Br)s1)N1[C@@H]2CC[C@@H]1CC(Br)C2 123647578 RUVJWEALSPUKIF-HTQZYQBOSA-N 458.013 4.804 50 10 JJGE O=C=NC[C@H]1CCC[C@H](CNC(=O)NCCc2c[nH]c3cc(OCc4ccccc4)ccc23)C1 170288885 UFCXQRKHXXAHFG-VXKWHMMOSA-N 460.578 4.731 50 10 JJGE CC[C@H](NC(=O)/C(C#N)=C\N1CCN(c2cccc(C)c2C)CC1)c1ccc2c(c1)CCCC2 217192581 ILRZOHAQEYHKRJ-ZWZYBHSTSA-N 456.634 4.979 50 10 JJGE C[C@@H](Br)C[C@H]1CCCCCN1C(=O)c1ccccc1I 380310681 HZIRIDQEMVKUAU-CHWSQXEVSA-N 450.158 4.850 50 10 JJGE Cc1cc(CCl)cc(S(=O)(=O)N2CC[C@@H](COCc3ccccc3)C2)c1Br 383998366 KLNRBDOICFBCEP-QGZVFWFLSA-N 472.832 4.724 50 10 JJGE Cc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3cccc(Br)c3)c2C)c(C)c1 1084150577 OCXDZOPVFCEWHR-UHFFFAOYSA-N 467.367 4.562 50 10 JJGE COc1ccc(N2C[C@@H](C(=O)NN=Cc3c(OCc4ccccc4)ccc4ccccc34)CC2=O)cc1 1084258136 ITLGRQNBBHUJEA-QHCPKHFHSA-N 493.563 4.931 50 10 JJGE O=[N+]([O-])c1cc(Br)ccc1[C@H]1CN(Cc2ccccc2)C[C@@H]1CBr 1614696107 WDSKPPJYNMHERZ-YOEHRIQHSA-N 454.162 4.968 50 10 JJGE CC(C)c1ccc(OCC(=O)NN=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1 1772752241 CGNVJXYSVPBYIV-UHFFFAOYSA-N 461.949 4.910 50 10 JJGE C[C@H](Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1 1858685239 JGCSAOSZWUBRCT-ZDUSSCGKSA-N 456.842 4.660 50 10 JJGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4cccc(Cl)c4Cl)c(=O)c23)C1 1860773839 HAPWNMCRSCPRDL-PWNZSMLCSA-N 463.390 4.601 50 10 JJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705806 GKNHHIYZIJZEIK-INIZCTEOSA-N 493.804 4.869 50 10 JJGE CCOC(=O)c1sc(NC(=O)/C(C#N)=C/c2ccc(OCCOC)cc2)nc1-c1ccccc1 1866215202 HHYGTVZAEGBQIS-XDJHFCHBSA-N 477.542 4.558 50 10 JJGE O=S1(=O)CCC([C@@H](Br)c2sc(Br)cc2Br)CC1 1922886209 RISLYUZLTPBLHA-SECBINFHSA-N 467.042 4.534 50 10 JJGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(C)cc1 2040991901 JMNKGIBSKIYPJF-XMMPIXPASA-N 478.552 4.619 50 10 JJGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)CN3C(=O)COc4ccc(Cl)cc43)n2)c1 2084289633 ZXOOYMJQYZDMTJ-MNDPQUGUSA-N 483.933 4.699 50 10 JJGE CC(C)[C@@H](CCBr)NC(=O)c1ccc(Br)cc1I 2086147573 OPLOGTPANPTJHR-GFCCVEGCSA-N 488.989 4.593 50 10 JJGE CN([C@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Cl 2123200295 GDDSZKXEHIMDBE-ZWKOTPCHSA-N 458.805 4.603 50 10 JJGE CO[C@H](COc1c(Br)cc(Br)cc1CBr)[C@H]1CCOC1 2150288156 QLIBVFGMNQINEF-TVQRCGJNSA-N 472.999 4.537 50 10 JJGE CC[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2Cl)CCN1Cc1ccccc1 2179793769 YPWMRWCRCHHDHF-GOSISDBHSA-N 471.848 4.520 50 10 JJGE Cc1ccc(I)c(C(=O)N(C)[C@H]2CCCCC[C@H]2Br)c1 2240925431 YGHXQQDCNGWHRM-HIFRSBDPSA-N 450.158 4.768 50 10 JJGE Cc1ccc(CCO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)cc1 2263402271 NVNHMRKHMUNSIA-HXUWFJFHSA-N 459.368 4.759 50 10 JJGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2293038591 NJAZWWPWSIPJOG-HSZRJFAPSA-N 457.555 4.639 50 10 JJGE COc1cc(C=C(C#N)C(=O)Nc2ccc(O)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2293830024 IBKHKDAFCZDMFV-UHFFFAOYSA-N 476.401 4.555 50 10 JJGE CC1(C)CC[C@H](Br)CN1C(=O)Cc1cc(Br)cc(Br)c1 2295310175 SZCLORYDKGJFRF-NSHDSACASA-N 468.027 4.919 50 10 JJGE CN(C[C@@H]1CCC[C@H]1Br)C(=O)Cc1cc(Br)cc(Br)c1 2295317729 QQAHIDGNYGPKPI-SMDDNHRTSA-N 468.027 4.776 50 10 JJGE C[C@H](Br)[C@H](NCc1ccc(Cl)c(I)c1)C(F)(F)F 2315548077 CLOCROYNEVYEAE-WKEGUHRASA-N 456.471 4.749 50 10 JJGE CC(C)(C)OC(=O)NCC[C@@H]1CCN(CCCCI)[C@H](C(F)(F)F)C1 2315834776 QGOKNHJVQCMIHX-KGLIPLIRSA-N 478.337 4.759 50 10 JJGE CO[C@H]1C[C@H]([C@H](Br)c2sc(Cl)cc2I)C[C@H]1OC 2316607825 WEKIBFMJWIVQBA-FGGBMERFSA-N 465.578 4.882 50 10 JJGE Brc1cc(CN2C[C@H]3CC(Br)C[C@@H]3C2)ccc1I 2325210017 UQYJFKNMOMDHAE-GHMZBOCLSA-N 485.001 4.659 50 10 JJGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCc1cccc(C(F)(F)F)c1 2327978358 MYONDKLNURWDNY-MRXNPFEDSA-N 473.273 4.940 50 10 JJGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccccc2F)c(OC)c1 2328821145 QXKRMATUGYPHGI-SBUREZEXSA-N 487.572 4.803 50 10 JJGE FC(F)(CBr)C(F)(F)CNCc1cc(I)ccc1Cl 2352417322 HIQKLECACQYXSG-UHFFFAOYSA-N 474.461 4.700 50 10 JJGE Clc1ccc(I)cc1CN1C[C@H]2[C@H](Br)CCC[C@H]2C1 2352422696 YCTPCTREHZEYJF-ZLKJLUDKSA-N 454.577 4.940 50 10 JJGE C/C(=N\NC(=O)COc1ccc(Cl)cc1Br)c1ccc(Br)cc1 13986337 RLQLNQHXVOIIFP-KEBDBYFISA-N 460.553 4.784 50 10 JJGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)cc2)cc1 14041622 HQNFBWFPODEYGV-UHFFFAOYSA-N 459.546 4.512 50 10 JJGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccccc1Br 14768902 JSTNXVOJTLZUEY-NRFANRHFSA-N 453.336 4.735 50 10 JJGE CCOc1cc(/C=C(/C#N)S(=O)(=O)c2ccccc2)c(Br)cc1OC(C)C 33470816 PCGOWUVTAODRFY-YVLHZVERSA-N 450.354 4.973 50 10 JJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)c1 38650253 OENDQESEVQDJPT-XMMPIXPASA-N 462.889 4.551 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@@H]1c1ccc(Cl)cc1Cl 38688272 NYOMDPQMLSPGEF-PKTZIBPZSA-N 495.318 4.957 50 10 JJGE COc1ccc(/C=N/NC(=O)c2ccccc2OCc2cccc(Br)c2)c(OC)c1 96095865 NBJIFUXPQGIFQH-AFUMVMLFSA-N 469.335 4.809 50 10 JJGE CSc1sc(C(=O)NN=Cc2c(Cl)cccc2Cl)cc1S(=O)(=O)C(C)C 254430446 UZXXTBBHMJVAFK-UHFFFAOYSA-N 451.422 4.723 50 10 JJGE O=C(N[C@@H](CCCl)C1CCCC1)c1cc(Br)ccc1I 725041461 BDOFETVQRUPYAE-AWEZNQCLSA-N 470.576 4.971 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)c(-c2ccccc2)n1 761413981 BPNVZUUBCZIXNG-ATVHPVEESA-N 494.338 4.859 50 10 JJGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 1865712645 DOKOIADBLDTHBR-LJQANCHMSA-N 456.289 4.673 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc(OC)c1O 1865715228 ZTCQTRMDVRVGBX-HSZRJFAPSA-N 480.524 4.539 50 10 JJGE COc1ccc(CCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1OC 1865759191 MVQCIOPFPAMIGJ-UHFFFAOYSA-N 488.371 4.775 50 10 JJGE CSCC[C@@H](NC(=O)[C@@H](Cc1ccncc1)c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866706193 IQKTWGIZHMANSK-BJKOFHAPSA-N 490.654 4.858 50 10 JJGE Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3ccc(OCc4cccc(Cl)c4)cc3)ccc12 1873793719 HMFURBRDVFOADE-CCVNUDIWSA-N 476.916 4.863 50 10 JJGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C[C@@H](Br)C1 1877388922 OORLXSZVPDXJDQ-SAHWJRBASA-N 485.422 4.839 50 10 JJGE C[C@@H](Br)[C@H](NC(=O)c1ccc(Br)cc1Br)C(F)(F)F 1882651603 KQRXJKKDFGZNFT-ANLVUFKYSA-N 467.905 4.656 50 10 JJGE O=C(c1cccc(Br)c1Br)N1C[C@@H](Br)CC2(CC2)C1 1926004189 OXGSASFLNANTDL-VIFPVBQESA-N 451.984 4.601 50 10 JJGE CC(C)(C)OC(=O)NC[C@@](C)(CBr)OCc1cc(F)ccc1Br 1994982416 XSAPHABRXWVTHP-MRXNPFEDSA-N 455.162 4.783 50 10 JJGE CC(C)[C@H](Br)[C@@H](C)NC(=O)c1cc(I)ccc1Br 2041306238 DISUFSZZHMUOAQ-PELKAZGASA-N 488.989 4.592 50 10 JJGE CCOc1cccc(-n2nc(CBr)c(I)c2C(F)(F)F)c1 2079250949 MWEAJIVRSVAAEV-UHFFFAOYSA-N 475.046 4.789 50 10 JJGE C[C@H]1CN(C(=O)c2cc(Br)ccc2Br)CC[C@H]1CBr 2109032269 MKZDCHSRBCGUGX-UWVGGRQHSA-N 454.000 4.705 50 10 JJGE C[C@H]1CN(Cc2cccc(Br)c2Br)C[C@H](CCBr)O1 2122794344 SFNKUAZXNVBATR-JQWIXIFHSA-N 456.016 4.586 50 10 JJGE BrCc1c(Br)cccc1N1CC[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2129055615 RPWVSPQAHOWASS-RTWAWAEBSA-N 480.244 4.824 50 10 JJGE C[C@H](Cl)CCCc1cn(-c2ccc(I)c(Br)c2)nn1 2132755584 JABLHMNUUCLRPG-VIFPVBQESA-N 454.537 4.584 50 10 JJGE C[C@H](Cl)CCCc1cn(-c2ccc(Br)c(I)c2)nn1 2132756505 LIDUPFNECOVPAL-VIFPVBQESA-N 454.537 4.584 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CC[C@H]2CC[C@@H](Br)[C@H]1C2 2148753718 XJAJVNHNDHNPAK-IRUJWGPZSA-N 466.011 4.990 50 10 JJGE COCc1nnc(COc2c(Br)cc(Br)cc2CBr)s1 2186553658 FHYXXLKNMKCCRX-UHFFFAOYSA-N 487.011 4.683 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CC[C@@]2(CCC[C@H]2Cl)C1 2207266686 GUYDGJJKMFBMMV-HIFRSBDPSA-N 468.560 4.677 50 10 JJGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1nn(C)nc1Br 2219798338 LTNGOCIUXDWSED-SECBINFHSA-N 458.379 4.786 50 10 JJGE C[C@@]1(CBr)C=CCCN1C(=O)c1cc(Br)ccc1Br 2264387578 RDGHKMKXDWJVCP-AWEZNQCLSA-N 451.984 4.767 50 10 JJGE CC1(C)OCCN(Cc2ccc(Br)cc2Br)[C@@H]1CBr 2267681155 AGKKVOPFQYEQRO-CYBMUJFWSA-N 456.016 4.586 50 10 JJGE C[C@H](CBr)CCCNC(=O)Cc1cc(Br)cc(Br)c1 2277915298 JQHNLWKAJIGPLG-JTQLQIEISA-N 456.016 4.682 50 10 JJGE COc1cc(C=C(C#N)c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1ccc(C)cc1 2314433648 PXOBDTBSXWLHBT-UHFFFAOYSA-N 466.497 4.734 50 10 JJGE COc1cc(C=C(C#N)c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1ccc(F)cc1 2314433945 YBOGEBOGVWGJOI-UHFFFAOYSA-N 470.460 4.565 50 10 JJGE CC(C)[C@H]1C[C@@H](Br)CN1C(=O)c1csc(Br)c1Br 2321384804 RSEIGAYVDZQJLO-VXNVDRBHSA-N 460.029 4.907 50 10 JJGE CCCOc1c(Cl)cc(C=NNC(=O)CSc2nc3ccccc3n2C)cc1Cl 2322914362 NNEHNRSWKWLHHL-UHFFFAOYSA-N 451.379 4.911 50 10 JJGE COc1cc(Br)cc(C=NNC(=O)Cc2cc(Cl)ccc2SC)c1OC 2323683558 HVEHHXLRWFHKTA-UHFFFAOYSA-N 457.777 4.534 50 10 JJGE C=CC[C@H](Br)[C@@H]1CCN1C(=O)c1c(Br)cccc1Br 2335817485 KLXRUQKJJJLEDG-CABZTGNLSA-N 451.984 4.766 50 10 JJGE Clc1ccc(CN2C[C@H]3[C@H](Br)CCC[C@H]3C2)c(I)c1 2341059345 KATMQQMVNFFLEF-ZLKJLUDKSA-N 454.577 4.940 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CC2(CCC2)C[C@@H]1CBr 2365598155 OIPADZIYUYTKNU-LLVKDONJSA-N 468.560 4.724 50 10 JJGE COc1ccc(OC)c(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)c1 19849140 BGJAIFINUNIRIL-VYYCAZPPSA-N 495.004 4.998 50 10 JJGE COc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1COc1ccc(C(=O)OCC(C)C)cc1 20615805 ACCAGEQDQIOFFC-STBIYBPSSA-N 474.557 4.780 50 10 JJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc(OC)c1OC 38660623 OFDUKIJSLAGDTN-QHCPKHFHSA-N 492.915 4.803 50 10 JJGE CC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2ccccc2C(=O)O)c(Br)c1 40951467 GZHCDKYFZHZZCR-ZVHZXABRSA-N 461.356 4.754 50 10 JJGE O=C(N/N=C/c1ccc(-c2ccccc2C(=O)O)o1)c1cc2cc(Br)ccc2o1 59304885 PJGHRQPSWIUADL-FOKLQQMPSA-N 453.248 4.917 50 10 JJGE CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCC(=O)N(C)C3CCCCC3)c2C)cc1 97654708 ALXWXXWUFQWCED-JWGURIENSA-N 463.578 4.734 50 10 JJGE CCCOc1c(OC)cc(/C=N\NC(=O)c2nc(-c3ccccc3)sc2C)cc1[N+](=O)[O-] 169927197 LPGUXZPPUOYJSU-QRVIBDJDSA-N 454.508 4.588 50 10 JJGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2c[nH]c3ccccc23)cc1 252634863 WSGFQNQPVFMIIY-SFBITKCESA-N 479.584 4.935 50 10 JJGE CCOc1ccc(C(C)=NNC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 254420303 QWCKOBRMHYCVRQ-UHFFFAOYSA-N 456.590 4.562 50 10 JJGE C[C@@H](Cl)CC(C)(C)CNC(=O)c1cc(Br)ccc1I 393564305 HDTMWWIHBBNWIA-SECBINFHSA-N 458.565 4.827 50 10 JJGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CCC[C@@H](Br)C2)cc1Br 694497410 PSIFGHGGPPLWFK-NXEZZACHSA-N 490.055 4.504 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@H]1CC(Br)C2 721507337 GZWIUCDQNXAODJ-QWRGUYRKSA-N 498.984 4.584 50 10 JJGE CCCCN(CCBr)C(=O)c1ccc(I)c(Br)c1 721612969 JYSYXSAELKWBSR-UHFFFAOYSA-N 488.989 4.691 50 10 JJGE CC(C)C[C@H](Br)CNC(=O)c1ccc(I)c(Br)c1 721613338 LAXUIBUPXDBAST-JTQLQIEISA-N 488.989 4.593 50 10 JJGE O=C(NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)[C@@H]1C[C@@H]1c1cccc2ccccc12 730832656 CDEOVUBYRJRFMQ-JWQCQUIFSA-N 457.555 4.887 50 10 JJGE N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)N1CCN(c2ccccc2)CC1 1084167636 KNNBIMGOFMXITD-MNDPQUGUSA-N 462.347 4.965 50 10 JJGE COc1ccc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1I 1084440852 LWYFZZBNBRQNKC-UHFFFAOYSA-N 499.102 4.572 50 10 JJGE COc1ccccc1OCC(=O)NCc1ccc(OC(=O)Nc2ccc(SC#N)cc2)cc1 1858900533 JFLUZVCULAWECO-UHFFFAOYSA-N 463.515 4.574 50 10 JJGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OC)c(O)c1)C(C#N)=C(N)O2 1865682736 WNSVUTXWVJKVLI-DEOSSOPVSA-N 452.514 4.910 50 10 JJGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CC)cc1OC 1865690937 FKMGKOALGGSCTD-SFHVURJKSA-N 475.387 4.634 50 10 JJGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2CC(C)C 1865692828 JKTNMTIDYQPNCD-JOCHJYFZSA-N 474.561 4.840 50 10 JJGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccc[nH]2)C(C#N)=C(N)O3)cc1 1865709402 BMYNDLAHEHOXAG-NRFANRHFSA-N 457.921 4.807 50 10 JJGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2cccc(Cl)n2)cc1 1866565961 SKZFKMRITHVSGO-HXUWFJFHSA-N 483.018 4.979 50 10 JJGE CC[C@H](NC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866670032 ZEXHRZLUBSZZBF-IBGZPJMESA-N 468.966 4.953 50 10 JJGE CC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(C(=O)NC4CCCCC4)cc3)o2)cc1 1873496081 BCQJEXKRVYYDIE-STBIYBPSSA-N 487.556 4.741 50 10 JJGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1ccc(F)c(Cl)c1CBr 1912990244 XMDVGCHLPOKPOO-UHFFFAOYSA-N 476.733 4.789 50 10 JJGE O=S1(=O)CC[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924571851 VDGNJRIDMGNZBD-DZSWIPIPSA-N 473.433 4.503 50 10 JJGE Brc1cccnc1C[C@@H](Br)c1cc(I)sn1 1983286878 VJVMGYMNEVIHCJ-SSDOTTSWSA-N 473.959 4.584 50 10 JJGE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C[C@H](Br)C(F)(F)F 1999445329 KUWQHBNLOOXVNK-ZACQAIPSSA-N 451.327 4.824 50 10 JJGE CC(C)[C@H]1[C@H](Br)CCN1C(=O)c1scc(Br)c1Br 2062180921 XBGKJXDHWKBKDP-XCBNKYQSSA-N 460.029 4.907 50 10 JJGE C[C@@H](CBr)[C@H]1CCCCN1c1ncc(I)cc1Br 2069529680 RUMKYBMRQMBOIZ-JOYOIKCWSA-N 488.005 4.839 50 10 JJGE Fc1ccc(F)c(Cn2nc(CBr)c(I)c2C(F)(F)F)c1 2079242082 VAHGWGURKYIPKY-UHFFFAOYSA-N 481.000 4.728 50 10 JJGE CCCN1CC[C@@H]([C@@H](Br)c2cc(Br)sc2Br)S1(=O)=O 2089535757 OAONNAQDGXDIAR-WPRPVWTQSA-N 496.084 4.523 50 10 JJGE O=C(NCc1c(Br)cccc1Br)[C@H](Br)C1CCCC1 2110726403 CVYWEZPNVQVREP-CYBMUJFWSA-N 454.000 4.782 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@@H](Br)[C@@H]1C1CC1 2130611545 LZVYLJGOWMHYRM-YPMHNXCESA-N 451.984 4.600 50 10 JJGE C=CC[C@@](C)(CCl)CNC(=O)c1ccc(I)c(Br)c1 2137198320 FIHGKSRDSZCRNT-AWEZNQCLSA-N 456.549 4.605 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H](Br)CC2(CCC2)C1 2151344184 DMUZEHHYMPJIIJ-CYBMUJFWSA-N 466.011 4.991 50 10 JJGE O=C(c1cc(Br)c(Cl)s1)N1C[C@H](CBr)[C@@H](C(F)(F)F)C1 2172566333 GAMQVKGHHSLWTK-WDSKDSINSA-N 455.521 4.809 50 10 JJGE COc1ccc(Br)cc1C(=O)N[C@@H](C)CCCCCI 2174526061 GPGIBFASKIGBIQ-NSHDSACASA-N 454.146 4.571 50 10 JJGE CC1(C)CO[C@H](COc2c(Br)cc(CBr)cc2Br)CO1 2176669320 CSZMYENLDSZUCD-SNVBAGLBSA-N 472.999 4.679 50 10 JJGE O=C(NCC[C@@H]1CCCC[C@@H]1Br)c1ccc(F)cc1I 2179634090 DBHDWSOTMCEDOH-GWCFXTLKSA-N 454.121 4.504 50 10 JJGE Fc1cc2c(cc1I)nc(CCCl)n2CC1CC(Br)C1 2196939492 BPLJVNHKDWAPKG-UHFFFAOYSA-N 471.539 4.735 50 10 JJGE Fc1cc(Br)cc2c1nc(CCl)n2C[C@@H]1COCCN1Cc1ccccc1 2232934801 UANLGIJXGUPMII-MRXNPFEDSA-N 452.755 4.578 50 10 JJGE CC1(C)CN(C(=O)c2ccc(Br)cc2I)C[C@@H]1CCCl 2238462674 GWDZAOOUJGWNEG-JTQLQIEISA-N 470.576 4.781 50 10 JJGE CC[C@@H](Br)[C@@H]1CCCCN1C(=O)c1cc(C)ccc1I 2240922677 FDJWSKUSOSATDM-HIFRSBDPSA-N 450.158 4.768 50 10 JJGE COc1ccc([C@@H](Br)c2ccc(OC)c(I)c2)cc1F 2285001722 YQQUCLRKYZDPMM-OAHLLOKOSA-N 451.073 4.932 50 10 JJGE N#CC(C(N)=O)=C1S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1 2293039210 OUFVOXJZNMNXNY-MRXNPFEDSA-N 497.201 4.667 50 10 JJGE CC(=O)Oc1c(Br)cc([N+](=O)[O-])cc1C=Cc1ccc2cccc(OC(C)=O)c2n1 2296827773 JXRACJUJKWNYCK-UHFFFAOYSA-N 471.263 4.927 50 10 JJGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc(Br)cc1F 2303537014 CMAJOGNDYANERK-OAHLLOKOSA-N 459.153 4.688 50 10 JJGE N#CC(=Cc1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)N1CCN(c2ccccc2)CC1 2313545747 CCRNKEHAAFGGDB-UHFFFAOYSA-N 461.905 4.554 50 10 JJGE COc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)c1 2314617783 AOWCAPHNYLDDFO-UHFFFAOYSA-N 490.519 4.933 50 10 JJGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)c(OC)c1OC 2331412567 KEMMEUZYQKQXLP-QGZVFWFLSA-N 491.569 4.677 50 10 JJGE C=CC[C@H](Br)[C@H]1CCN1C(=O)c1ccc(Br)cc1I 2335805330 CZQUWBFPHLSQPW-WCQYABFASA-N 498.984 4.608 50 10 JJGE CC[C@]1(C)[C@H](Br)CCN1C(=O)c1ccc(Br)cc1Br 2336761538 JNAKSPLFZLXPAS-TZMCWYRMSA-N 454.000 4.990 50 10 JJGE C[C@@H]1[C@@H](Cl)CCN(C(=O)c2ccc(Br)cc2I)[C@H]1C 2344514180 JKZBGXBUBKOCRS-AUTRQRHGSA-N 456.549 4.532 50 10 JJGE C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 19849214 RJXCXCQODRETQW-ITYLOYPMSA-N 486.557 4.783 50 10 JJGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)c(Oc3ccc(F)cc3)nc12 33306118 HAJUQGYNOSNEFA-MOSHPQCFSA-N 495.919 4.926 50 10 JJGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1OC(=O)c1ccccc1Cl 33459669 BOIBQOKDHRIFLP-ATVHPVEESA-N 476.872 4.812 50 10 JJGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(OC)cc3)ccc21 38681524 KKIVNTRCAPHWJG-MHZLTWQESA-N 486.524 4.687 50 10 JJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccccc2OCc2cccc([N+](=O)[O-])c2)cc1 58895497 KKXKVIOGVUNCKD-KPISKDHLSA-N 477.517 4.536 50 10 JJGE CCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 100869861 QLVMOURRKAZUCV-WPWMEQJKSA-N 486.565 4.751 50 10 JJGE CNC(=O)/C(C#N)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1 102974567 KDPVOQVDZBEXIZ-FABDANFUSA-N 466.777 4.819 50 10 JJGE CCCCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(C[C@H](C)O)C(=O)C(C#N)=C3C)o2)ccc1Cl 103693445 VFSPCTRXNQHHFD-CCRNYGKSSA-N 496.947 4.530 50 10 JJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1OC 205648253 SXVOCCTXXGZTOA-IICUWCKUSA-N 468.509 4.849 50 10 JJGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)Nc4cccc(S(=O)(=O)O)c4)cc3)sc2c1 216959446 MCECFLVHXYMETC-VKAVYKQESA-N 490.566 4.977 50 10 JJGE O=C(NN=Cc1ccc([N+](=O)[O-])s1)c1ccc(OCc2cccc(Br)c2)cc1 252635567 WYXAMTSQEDFVJJ-UHFFFAOYSA-N 460.309 4.762 50 10 JJGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3C)nnc2-c2ccc(C)cc2)cc1 254759020 PKFDLMQDHRYUJJ-UHFFFAOYSA-N 471.586 4.802 50 10 JJGE O=C1NCCCc2ccc([C@@H](Br)c3sccc3I)cc21 312891035 ICGOVCWFXCDEKH-CYBMUJFWSA-N 462.150 4.513 50 10 JJGE CC(C)(C)CN(CCCl)C(=O)c1cc(Br)ccc1I 690936394 YGUPWIDHYXFPJV-UHFFFAOYSA-N 458.565 4.781 50 10 JJGE CC(C)(C)[C@@H](Br)CNC(=O)c1ccc(I)c(Br)c1 721594506 OZRPAYOSKOSNER-NSHDSACASA-N 488.989 4.593 50 10 JJGE O=C(NNC(=O)c1ccccc1OCc1ccc(F)cc1)N[C@H](c1ccccc1)c1nccs1 729057070 OUUBIPXAQZOICZ-JOCHJYFZSA-N 476.533 4.595 50 10 JJGE Cc1cccc2c1CCN(C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C2 729414605 FZVBSWHEERYHNS-STZFKDTASA-N 455.949 4.917 50 10 JJGE N#C/C(=C/c1cn(Cc2ccccc2F)c2ccc(Br)cc12)C(=O)NC[C@H]1CCCO1 1084322852 RMNFKBJGPPCGDW-PLMLNFJUSA-N 482.353 4.793 50 10 JJGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1cccc([N+](=O)[O-])c1 1084647595 QARHYBSTVZFJOW-VWLOTQADSA-N 473.529 4.866 50 10 JJGE C[C@H]1CC[C@](CBr)(NC(=O)c2cc(Br)cc(Br)c2)C1 1880939276 NPFLHGYGWKSHRY-XPTSAGLGSA-N 454.000 4.895 50 10 JJGE CC(C)(C)OC(=O)N[C@@H](CBr)Cc1sc(Cl)cc1I 1889588586 FOSQYOWXBZXKMU-SSDOTTSWSA-N 480.593 4.837 50 10 JJGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1nn(C)c(Cl)c1Br 1979584658 JSBUKAIZBIZELD-LBPRGKRZSA-N 463.601 4.652 50 10 JJGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1CBr)Cc1ccccc1 1984646872 UMRYYUZLFWYCQH-UHFFFAOYSA-N 487.463 4.904 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](OCc2cc(Cl)cc(Cl)c2)[C@H](I)C1 1992071322 OLGSXCVJVGLTCH-KGLIPLIRSA-N 472.150 4.933 50 10 JJGE O=C(NCC1(CBr)CCCC1)c1csc(Br)c1Br 2032953986 UHIOSGRQZQFUFP-UHFFFAOYSA-N 460.029 4.958 50 10 JJGE CC[C@@H](C)[C@@H](CBr)NC(=O)c1ccc(Br)cc1I 2086146825 FSVRBNZJUAXBOJ-PRHODGIISA-N 488.989 4.593 50 10 JJGE ClCc1ccc(Br)c(Cl)c1N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2098113035 COKVKLRRSMNNRX-ROUUACIJSA-N 456.211 4.931 50 10 JJGE F[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1cc(Cl)ccc1I 2134110189 FSNLAQZFOWFZSQ-OXHZDVMGSA-N 458.540 4.783 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H](Br)CC2(CCC2)C1 2151344185 DMUZEHHYMPJIIJ-ZDUSSCGKSA-N 466.011 4.991 50 10 JJGE O=C(c1cc(Br)ccc1Br)N1C[C@H](Br)CC2(CCC2)C1 2151347699 PXZYBIMFUCEDME-LLVKDONJSA-N 466.011 4.991 50 10 JJGE O=C(N[C@H](CBr)CC1CCOCC1)c1cc(Br)sc1Br 2195486946 WIAKPMWBHCTHNE-VIFPVBQESA-N 490.055 4.583 50 10 JJGE CC1(C)C[C@@H](Br)CN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295308281 VOLSVTYSIYMJJS-CYBMUJFWSA-N 468.027 4.776 50 10 JJGE COCC1([C@H](Br)c2ccc(OC)c(I)c2)CC(F)(F)C1 2295606437 BVHPJXNFEUFVNJ-GFCCVEGCSA-N 461.084 4.798 50 10 JJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCOC)cc1C 2296545348 JKRNKVKGYDGWPN-UHFFFAOYSA-N 458.562 4.696 50 10 JJGE COc1ccc(-c2nn(CCC#N)cc2C=C(C#N)C(=O)NCC2(c3ccccc3)CCC2)cc1 2297435332 FHDLAXCUGDQQLI-UHFFFAOYSA-N 465.557 4.617 50 10 JJGE Cc1cccc(C(=O)N[C@H](CCBr)COCc2ccccc2)c1Br 2303544466 DGZAZOYGBWBIPE-MRXNPFEDSA-N 455.190 4.858 50 10 JJGE CC(C)Oc1c(Cl)cc(C=NNC(=O)CSc2nc3ccccc3n2C)cc1Cl 2322914355 LTJAYFDTIGGSNF-UHFFFAOYSA-N 451.379 4.910 50 10 JJGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)CN2C(=O)COc3ccc(Cl)cc32)n1 2331324407 VSVQWAOYBOKWRD-UHFFFAOYSA-N 467.934 4.999 50 10 JJGE CC1(C)C[C@H](Br)CCN1C(=O)c1ccc(Cl)cc1I 2340067064 XODCBMXMBHRGFK-SECBINFHSA-N 456.549 4.723 50 10 JJGE COC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c(OC)c1 955011 OWQQSNDXDZQODP-JCZKDOMISA-N 469.493 4.973 50 10 JJGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)c1ccccc1OCc1ccccc1 9231651 XDQDEYKICJEYGK-UHFFFAOYSA-N 497.389 4.992 50 10 JJGE CC(C)(C)c1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1Br 12492729 YFPPYXLQZIALCJ-UHFFFAOYSA-N 480.790 4.580 50 10 JJGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 14029939 ZUNFKXYVBWPGKV-UHFFFAOYSA-N 463.372 4.591 50 10 JJGE Cc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1Br 14038725 RVMNBQGOSGGUCJ-INIZCTEOSA-N 453.336 4.653 50 10 JJGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)COc1ccccc1-c1ccccc1 14642966 XAWYTSIXMGQRNG-SFHVURJKSA-N 497.389 4.727 50 10 JJGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC)C(=O)C(C#N)=C2C)c1 38603186 WTNQIBCMYOXQHB-LFVJCYFKSA-N 466.541 4.940 50 10 JJGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc21 38650578 SYFXOLNSPVKFDA-VWLOTQADSA-N 476.916 4.941 50 10 JJGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@@H]1c1c(Cl)cccc1Cl 38700548 NOXRXFBFEYPKGG-VXKWHMMOSA-N 495.318 4.957 50 10 JJGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Nc1nc2ccccc2s1 40761103 DOBAWWVBHYCRRJ-UHFFFAOYSA-N 467.558 4.687 50 10 JJGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCCC)cc1 100154564 CZVJUIIQGFAYKO-UHFFFAOYSA-N 471.623 4.774 50 10 JJGE CCCCN(C)C(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 100935261 WDWDBZKBKCDCTO-NZVBXONLSA-N 474.075 4.931 50 10 JJGE COc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1N/C=C(/C=O)c1nc2ccccc2o1 108809791 WEKQBSLGMXVGDI-VKAVYKQESA-N 463.515 4.598 50 10 JJGE O=[N+]([O-])c1cc(Br)c(Oc2ncc(CBr)cn2)c(Br)c1 218282135 RDXFAKMZGCHJOZ-UHFFFAOYSA-N 467.899 4.597 50 10 JJGE CN(C(=O)c1ccc(I)c(Cl)c1)[C@H]1CCCC[C@H]1Br 232350719 JNTITNKZUDOKRM-MFKMUULPSA-N 456.549 4.723 50 10 JJGE CCC(CC)N(CCCl)C(=O)c1cc(Br)ccc1I 232907648 PMABOPJPERYLAJ-UHFFFAOYSA-N 458.565 4.923 50 10 JJGE COc1ccc(CCCC(=O)NN=Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 252601747 FCMDOEJMDIHGHR-UHFFFAOYSA-N 450.510 4.895 50 10 JJGE O=S(=O)(Nc1ccc(Br)c(I)c1)c1ccccc1CCl 312356148 GHBFOCBPBMMDLG-UHFFFAOYSA-N 486.556 4.593 50 10 JJGE C[C@H](Br)C[C@H](C)CNC(=O)c1ccc(I)c(Br)c1 721615540 RMERBPYPKSUWGI-IUCAKERBSA-N 488.989 4.593 50 10 JJGE O=C(NNC(=S)NCc1cccc(C(F)(F)F)c1)c1ccccc1OCc1ccc(F)cc1 726436869 NYLHTHQDYDAHJW-UHFFFAOYSA-N 477.483 4.733 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1ccccc1Cl 1084216966 OUCOSRZEEPFZTB-OVCLIPMQSA-N 496.732 4.527 50 10 JJGE C=CC[C@@H](CO)NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1C 1635396496 AWQZGURXZWTJGE-STKCSNAVSA-N 451.876 4.727 50 10 JJGE CCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(OC)c2)CCC3)cc1 1772749833 PZCDFKBKDOLZTN-UHFFFAOYSA-N 461.518 4.718 50 10 JJGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccccc1 1865694268 WHNZJLKFGJEOJG-KRWDZBQOSA-N 456.424 4.517 50 10 JJGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1c(F)cccc1Cl 1865694275 WIQHRDRPVCDFAY-OAQYLSRUSA-N 482.943 4.912 50 10 JJGE Cc1nnc([C@@H](CC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c2ccccc2)o1 1867025842 ADKWCEVIPSBXMM-ZCYQVOJMSA-N 497.580 4.969 50 10 JJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2snc3ccccc23)cc1 1867267719 NMVLKIULOKTUOP-NRFANRHFSA-N 476.558 4.988 50 10 JJGE Cc1c(Br)cccc1CC[C@H](Br)CN1C(=O)c2ccccc2C1=O 1905314622 PGHOHAOLIHJNFW-AWEZNQCLSA-N 451.158 4.750 50 10 JJGE Cc1c(Br)cccc1CC[C@@H](Br)CN1C(=O)c2ccccc2C1=O 1905314623 PGHOHAOLIHJNFW-CQSZACIVSA-N 451.158 4.750 50 10 JJGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1ccc(CCl)c(Br)c1 1912993159 QFIFPZRKOWRTHB-UHFFFAOYSA-N 458.743 4.602 50 10 JJGE O=C(NCC[C@H]1CCC[C@@H]1Br)c1csc(Br)c1Br 1913752825 CAUYACYNBSXXJK-APPZFPTMSA-N 460.029 4.957 50 10 JJGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1cc(Br)ccc1Br 2104409722 AAPSDXFNXAUYTE-HTEOGMQZSA-N 451.984 4.503 50 10 JJGE COc1cc(Br)c([C@H](Cl)c2cc(I)sn2)cc1OC 2120030348 BVMGPZGFHWPGOQ-LBPRGKRZSA-N 474.545 4.856 50 10 JJGE CC(C)[C@H](Br)c1cn(Cc2ccc(I)c(Cl)c2)nn1 2142958779 SDUUANXXJGWQIP-ZDUSSCGKSA-N 454.537 4.676 50 10 JJGE Cc1ccc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H]1COC(C)(C)C1 2179791696 VCTQXXONRDQEHM-IBGZPJMESA-N 452.414 4.648 50 10 JJGE Fc1cc(Br)cc(N2CC[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)c1CCl 2185506550 BQMQRDIYEXRRAF-SFTDATJTSA-N 453.783 4.807 50 10 JJGE Cc1ccc(C(=O)N2CC[C@H](Br)[C@@H]2C(C)(C)C)cc1I 2232839191 QXXUMXGTSXJLGT-GXTWGEPZSA-N 450.158 4.624 50 10 JJGE CC(C)C[C@@H](CBr)CNC(=O)c1ccc(Cl)c(I)c1 2268358903 NEHRLGGNEXSFKN-JTQLQIEISA-N 458.565 4.732 50 10 JJGE CC[C@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@@H]1CBr 2295314270 VXONYYFULQLSPQ-RYUDHWBXSA-N 468.027 4.634 50 10 JJGE CC(C)[C@H](CBr)N(C)C(=O)c1cc(Br)ccc1I 2318854452 MCMXCBCPQSXLHE-LBPRGKRZSA-N 488.989 4.545 50 10 JJGE CCOc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccccc4C3=O)n2)c(OCC)c1 2331386476 CUYHWTQXYMTMOJ-UHFFFAOYSA-N 475.526 4.696 50 10 JJGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2[C@@H]3CCO[C@@H]32)c1Br 2339674170 IKGKFMDZBOUXAA-RINBACNTSA-N 454.984 5.000 50 10 JJGE CC(C)[C@H]1C[C@H](Br)CN1C(=O)c1c(Br)cccc1Br 2344617030 WLCJALBIGYBARJ-JOYOIKCWSA-N 454.000 4.846 50 10 JJGE CC(C)[C@H]1C[C@@H](Br)CN1C(=O)c1ccc(I)c(Cl)c1 2344768796 JGZNCHDCGXUBMV-ZWNOBZJWSA-N 456.549 4.579 50 10 JJGE CC(C)CN1C[C@@H](Cl)[C@H](Cc2ccc(I)c(Br)c2)C1 2349837043 PRTOXPZNHRJESO-TZMCWYRMSA-N 456.593 4.791 50 10 JJGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CO[C@@H]2COC[C@@H]21 2365187487 AURYENWJNCMJTM-FWSPBBIJSA-N 472.974 4.757 50 10 JJGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCC(C)C)cc1 14035445 ZMORARLTCJDEHV-UHFFFAOYSA-N 471.623 4.630 50 10 JJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1 38650620 NUQDPFOAYHYISZ-MHZLTWQESA-N 486.524 4.687 50 10 JJGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(F)c2)cc1 38678308 KJEUZSLQYBVEJT-CPJLOUKISA-N 458.489 4.979 50 10 JJGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811975 UIHPYCKFHGJLOO-MWAVMZGNSA-N 456.477 4.998 50 10 JJGE C=CCOc1c(I)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1OCC 59304801 LENKDKKVWZLWRR-YDZHTSKRSA-N 490.297 4.765 50 10 JJGE ClCc1nc2cc(I)ccc2n1-c1ccccc1I 97353800 BUNAZPZQKVNWOO-UHFFFAOYSA-N 494.501 4.974 50 10 JJGE COc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2cccc(C)c2)cc1 252601778 FDCFINCQLIWUAS-UHFFFAOYSA-N 467.319 4.749 50 10 JJGE O=C(CSc1ccc2ccccc2n1)NN=Cc1cc(Br)cc(Br)c1O 254345623 IMDOBAVIZMMMMK-UHFFFAOYSA-N 495.196 4.708 50 10 JJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C)s3)n2-c2ccc(C)cc2)cc1 263628099 BOFZGBTTYXSLQQ-UHFFFAOYSA-N 477.615 4.864 50 10 JJGE O=C(c1cc(I)ccc1Br)N1CCC[C@H](CCl)CC1 378706066 PSTYDKIYTNTBBU-JTQLQIEISA-N 456.549 4.535 50 10 JJGE CN1C(=O)CCc2cc([C@H](Br)c3sccc3I)ccc21 380531025 KXKKQEIWNZJHSE-AWEZNQCLSA-N 462.150 4.746 50 10 JJGE CC(C)Cc1ccc([C@H](C)C(=O)NN=C2C(=O)N(CCOc3ccccc3)c3ccccc32)cc1 1084080077 HTNOFXSXAVPGIW-NRFANRHFSA-N 469.585 4.935 50 10 JJGE COc1cc(OC)cc(C(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)c1 1084483970 PAXVZISADXRJAH-UHFFFAOYSA-N 454.910 4.709 50 10 JJGE C=CCC[C@H](C(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1)c1ccccc1 1142617564 RARHKXRTTREQMF-SVBPBHIXSA-N 453.586 4.511 50 10 JJGE Cc1c([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cccc1[N+](=O)[O-] 1614628824 FBBDDWZOPBMIFE-WMZOPIPTSA-N 480.302 4.690 50 10 JJGE C=CC[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C)C(=O)OCC 1624932106 VTEFJWYBNMFJFJ-QFTJCQGQSA-N 459.468 4.644 50 10 JJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cccc(OC)c1O)C(C#N)=C(N)O2 1865684571 SEHZSVPWBRLKHO-HXUWFJFHSA-N 468.916 4.609 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1865706168 PGXQTNBJRQSUFD-JOCHJYFZSA-N 467.460 4.864 50 10 JJGE CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(C)cc3)sc2c1 1866127261 RQYSERWIPNGMLJ-XMHGGMMESA-N 482.631 4.961 50 10 JJGE Cc1oc(-c2ccccc2Cl)nc1CC(=O)NC(C)(C)C(=O)Nc1ccc(SC#N)cc1 1866666017 XXJSGPPLRSQOJL-UHFFFAOYSA-N 468.966 4.953 50 10 JJGE C[C@H]1C[C@H](Br)CCN(C(=O)c2csc(Br)c2Br)C1 2041566360 JUBFYRIZICVDPP-JGVFFNPUSA-N 460.029 4.909 50 10 JJGE CC[C@@H](C)[C@@H](CI)NC(=O)c1c(Br)cccc1Br 2081246573 OQOFZQMXNQKKDQ-LDYMZIIASA-N 488.989 4.791 50 10 JJGE Cn1ncc([C@H](Br)c2cc(Cl)c(F)cc2Cl)c1I 2083781887 ZWCVKKRIGXFERP-SNVBAGLBSA-N 463.903 4.955 50 10 JJGE CCCN(CCCBr)C(=O)c1ccc(Br)cc1I 2086145425 MMCUVPDYNIKWDU-UHFFFAOYSA-N 488.989 4.691 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2C[C@H]1CC[C@H]2Br 2088648058 ZUKMSLCXQPXTJN-HLUHBDAQSA-N 451.984 4.600 50 10 JJGE O=C(c1c(Br)cccc1Br)N1[C@H](CBr)[C@H]2CC[C@@H]1C2 2122172470 GQIQKKWBBTZKLB-YGOYTEALSA-N 451.984 4.600 50 10 JJGE CC(C)(CBr)[C@H]1CCCN1C(=O)c1ccc(I)c(Cl)c1 2155824229 LQRBVFPKFPRWQD-CYBMUJFWSA-N 470.576 4.970 50 10 JJGE O=C(c1cc(Br)cc(Br)c1)N1[C@H](CBr)C[C@H]2CCC[C@H]21 2164656991 SIHUUGUANRHXKT-BIGNPOOSSA-N 466.011 4.990 50 10 JJGE CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)c(CBr)c2)CO1 2179792486 HAGNOECUTWGNDN-QGZVFWFLSA-N 472.832 4.993 50 10 JJGE Cc1nccc2c1nc(CCl)n2-c1cc(Br)ccc1I 2183320930 UGFFNESTWIJRJD-UHFFFAOYSA-N 462.516 4.835 50 10 JJGE CC1(C)CCCN(C(=O)c2cc(Cl)ccc2I)[C@@H]1CBr 2185805629 GFBSKXAHUOSHEM-CYBMUJFWSA-N 470.576 4.970 50 10 JJGE C[C@@H](Br)CCCc1cn(Cc2ccc(Br)cc2Br)nn1 2189282800 RKYHVAQFDPZYMP-SNVBAGLBSA-N 466.015 4.958 50 10 JJGE CC[C@@H](C)[C@H](CBr)NCc1ccc(I)c(Br)c1 2306219883 QWEVIIAOFRTVNT-RNCFNFMXSA-N 475.006 4.953 50 10 JJGE CC[C@H](NC(=O)C(C#N)=CNC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCCC2 2325092948 NRZDGZWUBUJEEQ-NDEPHWFRSA-N 456.634 4.794 50 10 JJGE CCc1ccc([C@H](C)NC=C(C#N)C(=O)Nc2ccc(I)cc2C)cc1 2325405981 DCFWSEWCJQWCOB-HNNXBMFYSA-N 459.331 4.859 50 10 JJGE CC1([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)CS(=O)(=O)C1 2335286574 VEYYNPQIFLFDKW-JTQLQIEISA-N 454.970 4.766 50 10 JJGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 10295550 SJQJNXVHCMSVHU-AWEZNQCLSA-N 498.432 4.665 50 10 JJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 12569954 GFZLNEXEBRJPLJ-CQSZACIVSA-N 488.396 4.763 50 10 JJGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(OC)c(Br)c1 14768673 CNBXXIWDHGUNOG-NRFANRHFSA-N 483.362 4.743 50 10 JJGE Cc1sc2nc(CCc3ccccc3)nc(N3CCN(C(=O)CCCCl)CC3)c2c1C 35866736 HUIBRONGPLISPV-UHFFFAOYSA-N 457.043 4.761 50 10 JJGE N#CC(C(=O)COC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cccs1)=C1Nc2ccccc2N1 38182038 BDOJFJOMLYPSPP-SEYXRHQNSA-N 493.548 4.999 50 10 JJGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812680 ANDMZFGHEMCCCP-TURZUDJPSA-N 479.920 4.751 50 10 JJGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccs1)CCC2 40823756 ZYPIHSJAULBZNM-YZSQISJMSA-N 465.531 4.549 50 10 JJGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2OC)cc1 98027936 FJACNJJCBWRPEC-GKGDEIKZSA-N 487.556 4.818 50 10 JJGE CCC(CC)(CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 136600439 XPTPQCILZAZCFK-UHFFFAOYSA-N 468.038 4.988 50 10 JJGE CC(C)(C)[C@H](CCCl)NC(=O)c1cc(I)ccc1Br 231141386 QJIPPKOGRNSHSD-LBPRGKRZSA-N 458.565 4.827 50 10 JJGE COc1cc(C=NNC(=O)c2cc(Br)ccc2OC)ccc1OCc1ccccc1 252594792 BULJGSYGRQCJBD-UHFFFAOYSA-N 469.335 4.809 50 10 JJGE O=C(COc1cccc(Br)c1)NN=Cc1cn(Cc2ccccc2)c2ccccc12 252617369 KRHIFNAAXWBQIH-UHFFFAOYSA-N 462.347 4.981 50 10 JJGE O=C(NN=C1C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21)c1cccs1 254301225 YREWIQAJQWFRGB-UHFFFAOYSA-N 480.593 4.889 50 10 JJGE CCn1c(SCC(=O)NN=Cc2ccc(OC)cc2OC)nnc1-c1ccc(C(C)(C)C)cc1 254479733 WULFGTQCNKSJBD-UHFFFAOYSA-N 481.622 4.522 50 10 JJGE COc1ccc([C@H]2C(C#N)=C(N=CN3CCCC3)Oc3c2c(C)nn3-c2ccccc2)cc1OC 254522497 NFQKPLYQBUHHFO-VWLOTQADSA-N 469.545 4.582 50 10 JJGE CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NN=C/C(Cl)=C/c2ccccc2)cc1 254904392 CRXQFUIMKMKYAK-QOWVTFRASA-N 483.977 4.882 50 10 JJGE C[C@@H](CCl)COc1c(I)cc(Cl)cc1I 308942950 FIDIIGJVXASBKA-LURJTMIESA-N 470.903 4.803 50 10 JJGE CN(C(=O)c1cc(Br)ccc1I)[C@@H](CCl)C(C)(C)C 689248590 TTXIECHMXRADJH-LBPRGKRZSA-N 458.565 4.779 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N(CCCCl)C1CCC1 721615656 CULGLLQTBXBBEJ-UHFFFAOYSA-N 456.549 4.677 50 10 JJGE N#CCCn1cc(/C=C(/C#N)C(=O)NCCc2nc3ccccc3s2)c(-c2ccc(Cl)cc2)n1 818058519 AALOAZXCTCBBBU-JXAWBTAJSA-N 486.988 4.993 50 10 JJGE CCCN(CCC)c1ccc(C(=O)NN=C2C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc32)cc1 1084046350 JLMFHKLTCPPCEN-UHFFFAOYSA-N 499.571 4.902 50 10 JJGE Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1C=NNC(=O)COc1ccc(C2CCCCC2)cc1 1084146343 NPLQSSFCBFQYBX-UHFFFAOYSA-N 475.549 4.974 50 10 JJGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(Br)cc2[N+](=O)[O-])[C@@H](CBr)C1 1614689561 BMYXWZZMDUZYBI-GWCFXTLKSA-N 464.154 4.703 50 10 JJGE CCOc1cc(C=NNC(=O)c2cc(Br)ccc2O)ccc1OC(=O)c1ccccc1 1772719583 ABRQJAKFBVFMST-UHFFFAOYSA-N 483.318 4.537 50 10 JJGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3cccc4cccnc34)c(C)c21 1772745754 GLGNFBWZNULCLS-UHFFFAOYSA-N 468.513 4.868 50 10 JJGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684444 QGOPWCOGWBRROU-SFHVURJKSA-N 486.167 4.924 50 10 JJGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1 1865702808 FTQLNNANXLKDPB-IBGZPJMESA-N 454.452 4.957 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccccc1[N+](=O)[O-] 1865709923 KDFYFTBTUMMPBY-QFIPXVFZSA-N 467.460 4.864 50 10 JJGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCN4CCOCC4)c(OC)c3)n2)cc1 1872790114 LVUVQUVVIRVZTQ-CJLVFECKSA-N 491.613 4.993 50 10 JJGE O=C(CCc1nc2ccccc2[nH]c1=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 1873496371 NOWOIDURRRTUJN-CCVNUDIWSA-N 495.366 4.892 50 10 JJGE Cc1scc(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)c1Br 1902870581 FQXIHIGFUCRXEU-CQSZACIVSA-N 461.219 4.871 50 10 JJGE O=C(c1cc(Br)sc1Br)N1C[C@H]2CC[C@@]1(CBr)C2 2029250376 YRZVHIRQDZABCE-MADCSZMMSA-N 458.013 4.663 50 10 JJGE O=C(c1csc(Br)c1Br)N1CCSC[C@@H]1CCBr 2032955551 ABHPJIMRVSZJBM-ZETCQYMHSA-N 478.069 4.616 50 10 JJGE O=C(c1cc(Br)sc1Br)N1CCC12CC(CBr)C2 2042667079 QJOVMBQXTLQSBX-UHFFFAOYSA-N 458.013 4.663 50 10 JJGE CC(C)N(CCOCCBr)Cc1cccc(Br)c1Br 2092338581 VJXQCWBYAQAUQF-UHFFFAOYSA-N 458.032 4.834 50 10 JJGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)N1CCC[C@H](CBr)C1 2123242818 BGCONDHMHBNEID-SJLPKXTDSA-N 457.459 4.663 50 10 JJGE CCn1cc(Br)c([C@@H](Br)c2ccc(OC)c(Br)c2)n1 2124769517 SZFLQEWFDWHIKL-LBPRGKRZSA-N 452.972 4.921 50 10 JJGE CC1(C)[C@@H](Br)CC[C@@H]1NC(=O)c1ccc(Br)cc1Br 2142133264 GHAQUZBWPCTXRD-RYUDHWBXSA-N 454.000 4.894 50 10 JJGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1F 2179860690 VZMQPZFWSNJPQE-UHFFFAOYSA-N 478.811 4.992 50 10 JJGE O=C(c1cccc(F)c1I)N1CCCC[C@@H]1CCCBr 2206649946 CBXLKXREWYBNJC-LLVKDONJSA-N 454.121 4.600 50 10 JJGE Cc1cc(C(=O)N2CCCC[C@H]2[C@H](C)CBr)ccc1I 2207100012 AFLAJJJWUBVUSZ-DOMZBBRYSA-N 450.158 4.625 50 10 JJGE C[C@@H]1C[C@@H](Br)[C@@H](C)N(C(=O)c2cc(Br)c(Br)s2)C1 2220342607 AVNTWUXLLISSGF-BWZBUEFSSA-N 460.029 4.907 50 10 JJGE BrCc1cc(Br)c(OC[C@]23COC[C@H](C2)C3)c(Br)c1 2228086041 UFMLZYIMPGPWCY-YPFXGUDJSA-N 454.984 4.912 50 10 JJGE Fc1cc(Br)cc2c1nc(CCl)n2C[C@@H]1CN(Cc2ccccc2)CCO1 2232922780 KOWDJBAMWJSFEX-INIZCTEOSA-N 452.755 4.578 50 10 JJGE CC[C@@H]1[C@@H](Br)CCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2288882825 JFEXIOAPCZNMMV-GZMMTYOYSA-N 466.022 4.692 50 10 JJGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2293039231 QVYKINCZMPCHJM-JOCHJYFZSA-N 477.973 4.984 50 10 JJGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1ccccc1C(=O)O 2297306951 IBVGDWAMTXBWIF-UHFFFAOYSA-N 482.246 4.861 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)ccc1OC(=O)c1cccs1 2297616633 STWFITHPIAJLHX-UHFFFAOYSA-N 476.510 4.683 50 10 JJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)C=Cc1ccc(OC)cc1 2314753619 CMQUNIZAVWCVGS-UHFFFAOYSA-N 472.497 4.529 50 10 JJGE FC1(F)C[C@@H](CBr)N(Cc2ccc(Cl)c(I)c2)C1 2315548527 IBOGYFPYQNRFPE-VIFPVBQESA-N 450.492 4.549 50 10 JJGE O=C(c1ccc(Cl)cc1I)N1CC[C@@H](Br)C(F)(F)CC1 2365597475 HCNHMNZHTOOBRG-LLVKDONJSA-N 478.502 4.579 50 10 JJGE O=C(NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1 14027990 BJAWFHTUZLNVQX-UHFFFAOYSA-N 481.577 4.882 50 10 JJGE C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14665854 LIRZWUYSRWPSDU-SFHVURJKSA-N 465.594 4.731 50 10 JJGE CCOC(=O)c1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3nc(O)c4ccccc4n3)cc2)cc1 34988292 BUJCCIMUZFRXIE-HKWRFOASSA-N 494.507 4.594 50 10 JJGE N#C/C(=C\c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)C(=O)NC[C@@H]1CCCO1 35447026 YUOZRNJLYLHSKX-LQWIOMGOSA-N 456.590 4.542 50 10 JJGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)ccc2OC)cc1 38659842 WCHZQYTWCZGQBV-SANMLTNESA-N 484.508 4.706 50 10 JJGE CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1OC 59474966 IFMNQUXZDODZPM-MHWRWJLKSA-N 476.314 4.943 50 10 JJGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(C)c(C)c1 101241939 ULXWYGXQDZMKLN-SSXUBFHHSA-N 451.979 4.685 50 10 JJGE CCOc1ccc(/C=N\NC(=O)CSc2nc3ccccc3s2)cc1Br 169892967 ICOKPNMCSZRWSY-JMIUGGIZSA-N 450.383 4.700 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CCCC[C@@H]1CCBr 232459715 ABYKZCDXKPCTEC-LLVKDONJSA-N 454.000 4.991 50 10 JJGE CC(C)(C)OC(=O)NN=Cc1c(Br)cc(Br)c(O)c1Br 254590826 XSLYPEMSIJCODR-UHFFFAOYSA-N 472.959 4.538 50 10 JJGE CCN(C[C@@](C)(CI)OCc1ccc(OC)cc1)C(=O)OC(C)(C)C 310598858 MLPFTUFUBXNVJH-LJQANCHMSA-N 463.356 4.663 50 10 JJGE CC1(C)CN(C(=O)c2cc(Br)c(Br)s2)CC[C@H]1Br 310701024 WQGNYDHMMSRJLC-SECBINFHSA-N 460.029 4.909 50 10 JJGE C[C@H](Br)C[C@@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1Br 312867452 SCEVUJJPURMGSJ-ONGXEEELSA-N 490.055 4.538 50 10 JJGE Oc1nc2cc([C@H](Br)c3coc(Br)c3)c(Br)cc2[nH]1 380894449 MDLDCFICWUMZDL-LLVKDONJSA-N 450.912 4.871 50 10 JJGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NN=Cc1cccc(Cl)c1Cl 1084246618 QCMTWIQPDWINAB-UHFFFAOYSA-N 483.384 4.879 50 10 JJGE COc1c(Br)cc(C=NNC(=O)CSc2nc3ccccc3o2)cc1Br 1084563263 RBNUTMRCXBZSMB-UHFFFAOYSA-N 499.184 4.604 50 10 JJGE O=C(NN=Cc1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1cccc(Cl)c1Cl 1084623991 AXIWXLDPKUHASH-UHFFFAOYSA-N 460.292 4.800 50 10 JJGE CC(=O)c1cccc(OCCCC(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)c1 1628466837 CMWYMBSJBIESRH-LJQANCHMSA-N 456.608 4.722 50 10 JJGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)N3c4ccccc4C[C@@H]3C)c(C)c21 1772746127 QBMNHGSFUWKYTD-INIZCTEOSA-N 457.530 4.658 50 10 JJGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772751104 VJUARDCWBBWKCM-UHFFFAOYSA-N 488.441 4.973 50 10 JJGE CC1(C)CC[C@H](Br)[C@@H](CNC(=O)c2csc(I)c2)C1 1927042117 MAHZVBOFJZOERD-MNOVXSKESA-N 456.187 4.672 50 10 JJGE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1[C@@H](Br)CO 1951575907 HSMGAALVXXPRCB-JTQLQIEISA-N 473.987 4.987 50 10 JJGE CC(C)[C@H]1C[C@H](NCCSSCCNC(=O)OC(C)(C)C)CN1Cc1ccccc1 1985347431 RYJKFKXGSHTGRM-LEWJYISDSA-N 453.718 4.781 50 10 JJGE O=C(Nc1c(Br)cc(Br)cc1Br)[C@H]1C[C@@H]1Br 1991404137 ROQYGHAPGVADRU-WDSKDSINSA-N 476.788 4.696 50 10 JJGE CC(C)[C@H](Br)CN(C)C(=O)c1cc(Br)ccc1I 2048733431 ZSLNGSOFFOEYLI-LLVKDONJSA-N 488.989 4.545 50 10 JJGE CCCC(CBr)(CCC)CN=[S@@]1(=O)CC[C@@H](CNC(=O)OC(C)(C)C)C1 2106781202 FXPIWXHCAKNONT-YHAMSUFESA-N 453.487 4.981 50 10 JJGE CC(C)[S@](=O)(=NC[C@@H](CBr)CC1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2126853177 VROKNMKUIWNREN-KRXBEKAOSA-N 451.471 4.683 50 10 JJGE BrCCCO[C@@H]1CCN(Cc2c(Br)cccc2Br)C1 2142043544 FTLBRPJVWRLJOH-LLVKDONJSA-N 456.016 4.588 50 10 JJGE O=C(c1ccc(Br)cc1I)N1CCC[C@H]1CCCCl 2142281978 XJPVBJPQBMEAOR-LLVKDONJSA-N 456.549 4.677 50 10 JJGE C[C@]1(CCl)CC(F)(F)CN1C(=O)c1ccc(I)c(Br)c1 2159046491 KUAOXAHDRXNPCQ-GFCCVEGCSA-N 478.502 4.532 50 10 JJGE C[C@H]1Cc2cc([C@@H](Br)c3cn(C)nc3Br)cc(Br)c2O1 2173182123 IWGLKXHFRZGKHO-JVXZTZIISA-N 464.983 4.753 50 10 JJGE C=CCC[C@H](CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2196141362 KZIYSFPZUJMPIZ-SECBINFHSA-N 466.022 4.764 50 10 JJGE Brc1cccc([C@H](CI)OC[C@H]2C[C@]23CCCOC3)c1 2198376502 HKHJKWLBMTUWBM-KBMXLJTQSA-N 451.142 4.759 50 10 JJGE CC(C)(CI)CN1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 2306817930 FIWBHXPNCMXCQO-HOTGVXAUSA-N 450.405 4.702 50 10 JJGE BrC[C@@H]1C[C@H]2CN(Cc3ccc(I)c(Br)c3)C[C@H]12 2325230554 ORCCZEJHHBYNGS-SDDRHHMPSA-N 485.001 4.517 50 10 JJGE CCN(C(=O)c1ccc(Cl)cc1I)[C@@H]1CCC[C@@H]1Br 2340058674 PUQLRVOHZSWEMW-WCQYABFASA-N 456.549 4.723 50 10 JJGE CCOc1cc([C@@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)ccc1O 9693248 SDIALWIASRGKAN-KRWDZBQOSA-N 455.967 4.972 50 10 JJGE CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 9872476 WSGVFUCSWRSRAJ-UXHICEINSA-N 473.573 4.989 50 10 JJGE COC(=O)c1ccc2ccccc2c1OC(=O)[C@@]12CC[C@@](C)(C(=O)[C@@H]1Br)C2(C)C 33514332 KUSAQVIMFQELHB-PDIWNELESA-N 459.336 4.691 50 10 JJGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)cc1 35199275 UGYPFVBOOMLPFB-JXAWBTAJSA-N 454.461 4.788 50 10 JJGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OC)cc1OC 38657195 OOFYZKUKVZAEPZ-AREMUKBSSA-N 486.524 4.930 50 10 JJGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3OC)ccc21 38681384 NXOGHFFTZNLYBG-MHZLTWQESA-N 486.524 4.687 50 10 JJGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(C)c2)CCC3)c(OC)c1 40811362 NKKGEHFTMNISDW-VFCFBJKWSA-N 461.518 4.636 50 10 JJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/C(Cl)(Cl)Cl 59261657 DUWVLQJZGJCERE-QQUGTJAQSA-N 496.251 4.682 50 10 JJGE COc1cc(/C=N\NC(=O)Cc2ccc(N)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 169900491 ZWDPQJAIXKUWQY-WKIKZPBSSA-N 458.345 4.856 50 10 JJGE CCn1c(SCC(=O)NN=C/C(Br)=C\c2ccccc2)nnc1-c1ccc(C)cc1 254345812 LETSWLGQMDGFEH-XRCBOCMQSA-N 484.423 4.904 50 10 JJGE CCN(CC)c1ccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc1 254795192 OFQVUPWTEVRJPH-UHFFFAOYSA-N 499.640 4.783 50 10 JJGE COc1ccc(C(=O)Oc2cccc(C=NNC(=O)COc3cccc4ccccc34)c2)cc1 254906762 ROXUKSNTXCWAQP-UHFFFAOYSA-N 454.482 4.597 50 10 JJGE CCCCOc1ccc(C=NNC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)cc1OC 256017344 GXQOEIWBCSJOLK-UHFFFAOYSA-N 459.568 4.757 50 10 JJGE C[C@@]1(CI)CC[C@@H](c2ncc(Br)cc2Br)O1 309443189 ONXLMPOWJSOIJV-ONGXEEELSA-N 460.935 4.652 50 10 JJGE Fc1cccc(F)c1[C@@H](Br)c1cc(I)cc2c1OCC2 394415800 UFGHLWDGVGWAGR-AWEZNQCLSA-N 451.048 4.989 50 10 JJGE C[C@@]1(CCl)CCCN(C(=O)c2cc(Br)ccc2I)C1 688123985 QGKTZFVVRHPEAW-AWEZNQCLSA-N 456.549 4.535 50 10 JJGE O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1Cl 1084066960 CYXQNRDUTAHINH-UHFFFAOYSA-N 496.803 4.992 50 10 JJGE COc1c(C(=O)NN=Cc2ccccc2OS(=O)(=O)c2ccc(C)cc2)ccc2ccccc12 1084238412 JCYGYDMOHPWPLO-UHFFFAOYSA-N 474.538 4.688 50 10 JJGE CC(=O)c1ccc(Nc2ccccc2C(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 1448727806 RHPIJVMULVTDAZ-INIZCTEOSA-N 451.910 4.515 50 10 JJGE CC(=O)N(Cc1ccc(NC(=O)NNc2ccc(Cl)cc2Br)cc1)C1CC1 1659352429 SIGBJDWVRLFUMJ-UHFFFAOYSA-N 451.752 4.762 50 10 JJGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNc1ccc(F)cc1)CCC2 1772750464 ANOIQLSYVSEVRD-UHFFFAOYSA-N 499.340 4.717 50 10 JJGE CC(C)c1ccc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858683836 HJNFWULDWOUWLK-UHFFFAOYSA-N 450.451 4.742 50 10 JJGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(OC)c1)C(C#N)=C(N)O2 1865706003 LMZFJZMPPDIRTN-HXUWFJFHSA-N 471.344 4.733 50 10 JJGE CC[C@@](C)(NC(=O)Cc1nc(-c2ccc(F)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866661848 JFCATHYLFJOWPR-XMMPIXPASA-N 466.538 4.828 50 10 JJGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C[C@@H](Br)C1 1882559174 RHVNFMLNFVOYEN-DMPWYTOCSA-N 471.395 4.592 50 10 JJGE O=S(=O)(c1ccc(OCCBr)cc1)N(Cc1ccccc1)Cc1ccccc1 1885383413 URELAWVOZOFAEV-UHFFFAOYSA-N 460.393 4.851 50 10 JJGE Cc1cc2c(cn1)nc(CCCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 1917823459 UVBILZGBWGTDLX-UHFFFAOYSA-N 461.009 4.992 50 10 JJGE Clc1cc(CN2CCSC[C@H]2CCBr)ccc1I 2086652692 RENKUAICNNQCFF-LLVKDONJSA-N 460.606 4.647 50 10 JJGE O=C(c1cccc(Br)c1Br)N1CCC[C@@H](CCBr)C1 2092340534 RCNWMMTWYZOOJW-JTQLQIEISA-N 454.000 4.849 50 10 JJGE C[C@@H]1C[C@H](Br)CCN(C(=O)c2cc(Cl)ccc2I)C1 2103288840 VLKJLBOCZLGJRH-NXEZZACHSA-N 456.549 4.580 50 10 JJGE O=C(NC1(CCBr)CCSCC1)c1c(Br)cccc1Br 2150495618 YBEQXJPGSZBKRJ-UHFFFAOYSA-N 486.067 4.992 50 10 JJGE CN(CCN(Cc1ccccc1)Cc1c(C(=O)NN)sc2cccc(F)c12)Cc1ccccc1 2152265796 IMLHISSQSRXQHX-UHFFFAOYSA-N 476.621 4.778 50 10 JJGE O=C(c1ccc(I)c(Br)c1)N(CCCl)Cc1ccsc1 2171101771 NBPVSDBCGNHKTO-UHFFFAOYSA-N 484.584 4.996 50 10 JJGE CO[C@H]1CC(Oc2c(Br)cc(CBr)cc2Br)C[C@@H]1OC 2187178253 SFXQYYGOHHSIPD-STQMWFEESA-N 472.999 4.678 50 10 JJGE O=C(c1cc(Cl)ccc1I)N1[C@H](CBr)CCC12CCC2 2205771415 DYTCHHGUIGUPKB-NSHDSACASA-N 468.560 4.867 50 10 JJGE Cn1nc(Br)c([C@@H](Br)c2cc(Br)c(Cl)cc2F)n1 2219797447 BOXZQJUSCXVAFY-QMMMGPOBSA-N 462.342 4.617 50 10 JJGE Cc1ccc(C(=O)NC2(CBr)CCCCCC2)cc1I 2232836589 JBZOQFIQIZDEQK-UHFFFAOYSA-N 450.158 4.817 50 10 JJGE CCn1cc(Br)c([C@@H](Br)c2ccc3c(c2Br)CCO3)n1 2238072375 WLZGLWWMBMOKHP-ZDUSSCGKSA-N 464.983 4.847 50 10 JJGE Cc1ccc(I)c(C(=O)N[C@]2(CBr)CCCC2(C)C)c1 2240904856 CQCCEXRPBOGEMA-INIZCTEOSA-N 450.158 4.673 50 10 JJGE C[C@@H]1C[C@H](Br)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2277934504 JMJFZLPAMKHKHH-MWLCHTKSSA-N 454.000 4.529 50 10 JJGE CS(=O)(=O)C1CC([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)C1 2288350529 AEVCBJSELVLFEF-TUXAIXRJSA-N 452.542 4.593 50 10 JJGE BrCC[C@H]1CCN(Cc2ccc(I)c(Br)c2)C1 2306230759 AYTJSALOKCBJSB-JTQLQIEISA-N 472.990 4.661 50 10 JJGE Cc1nc(Br)c([C@@H](Br)[C@@H](C)c2ccncc2Br)n1C 2337270980 RAUHNMYWDHCGMT-CPCISQLKSA-N 451.988 4.888 50 10 JJGE O=C(c1ccc(Br)cc1Br)N1CC[C@H]2CC[C@H](Br)[C@@H]1C2 2355761149 PSPYFIHPCSIMLV-LQJRIPTKSA-N 466.011 4.990 50 10 JJGE Fc1cc(CBr)c(N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)cc1Cl 2362411554 HKKMDOREHUAPDQ-RTWAWAEBSA-N 453.783 4.854 50 10 JJGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCc2ccccc2Cl)c(Br)c1 10458932 PXVAEDULAZSBFW-UHFFFAOYSA-N 467.791 4.559 50 10 JJGE C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 14665824 OVDAKMDJILXYNK-CQSZACIVSA-N 480.392 4.625 50 10 JJGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O 16752340 JTIQNXKQKAWHHI-BOPFTXTBSA-N 473.312 4.799 50 10 JJGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1OC 33777017 FQWGYAGBMQTHTN-CUBOCRIMSA-N 472.497 4.529 50 10 JJGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)o1 38659420 NWFOOWQQSABBPZ-HXUWFJFHSA-N 451.822 4.587 50 10 JJGE Cc1ccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])c(C)c1 40621223 KPZAOHPQPFFUDJ-UHFFFAOYSA-N 477.308 4.574 50 10 JJGE COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc(C(C)C)c(C)c1 206409460 JFYBXDRLFQXJCB-NDENLUEZSA-N 450.535 4.543 50 10 JJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1C 214248289 WRYXJPQZUPHACD-UCQKPKSFSA-N 466.541 4.857 50 10 JJGE O=C(NCC1CCC(Br)CC1)c1ccc(Br)cc1Br 227781968 UIMAZQKQFJSQAV-UHFFFAOYSA-N 454.000 4.895 50 10 JJGE Cc1cc(OCC(=O)NN=Cc2cc(Br)c(Br)o2)cc(C)c1Cl 252608992 HOVCDJPYYBTSOG-UHFFFAOYSA-N 464.541 4.604 50 10 JJGE BrCC(CBr)(COC1CCOCC1)c1cccc(Br)c1 312838104 NDZAHCBUOOYEPA-UHFFFAOYSA-N 471.027 4.672 50 10 JJGE CC[C@H](Br)[C@@H](CC)NC(=O)c1cc(I)ccc1Br 313074998 AXJSECKJERYMJR-CMPLNLGQSA-N 488.989 4.736 50 10 JJGE FC(F)(F)Oc1cc(I)cc(CBr)c1Br 575696354 UUFUPARHUKXMBH-UHFFFAOYSA-N 459.825 4.847 50 10 JJGE Cc1ccnc2c1nc(CCCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705784421 YSLZJFVLRKJGJP-UHFFFAOYSA-N 461.009 4.992 50 10 JJGE CN(C[C@@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1cc(CCl)sc1Br 720077067 HUMBOBMJWOLBOR-INIZCTEOSA-N 491.904 4.925 50 10 JJGE O=C(NCC1CCOCC1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237438 HFJGIUHXGQRNNT-LJQANCHMSA-N 474.932 4.623 50 10 JJGE C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1 920745145 HSVNLQGYMPHCIM-PHEOHZIFSA-N 479.028 4.507 50 10 JJGE COc1cc(C=NNC(=O)CC#N)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1083998422 XEVRAHQXSDSIMM-UHFFFAOYSA-N 471.138 4.707 50 10 JJGE O=C(NN=Cc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084436234 HVLACBITXPPOMI-HNNXBMFYSA-N 491.253 4.745 50 10 JJGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc(C)c1 1084619874 RAFXVDLRCFUNRZ-XIEYBQDHSA-N 467.569 4.838 50 10 JJGE CC(=O)N1CC[C@@H](NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C)c3)c2C)c2ccccc21 1127176719 KKNQJMKSXLTNSP-HZHYMEEXSA-N 452.558 4.924 50 10 JJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)ccc1OCc1ccccc1C 1865702744 DEIIPZPTWVTRKJ-FQEVSTJZSA-N 484.478 4.943 50 10 JJGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711854 JGQNNIBKAGBKOH-RUZDIDTESA-N 482.540 4.832 50 10 JJGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)c1 1865712623 CXARIHBUCAGBRW-SFHVURJKSA-N 469.423 4.693 50 10 JJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865715062 UTMRZUIFBHUZPU-JOCHJYFZSA-N 483.459 4.569 50 10 JJGE C[C@@H](NC(=O)Cc1ccc2nc(O)c(Cc3ccccc3)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1867086705 ZRUGKBLVTCQDQV-GOSISDBHSA-N 496.592 4.790 50 10 JJGE CC/C(=C\C(=O)N[C@H](C)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867122757 MDGYDAJHFDDQOK-XDPMZMSMSA-N 488.407 4.968 50 10 JJGE CN(C[C@@H]1C[C@@H]1Br)C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 1910143559 OMHPPGYMQYQWID-HZMBPMFUSA-N 462.182 4.652 50 10 JJGE CC1(C)CC[C@@H](Br)[C@H](CNC(=O)c2ccccc2I)C1 1927050420 LQWYYZLOFQTRNF-WCQYABFASA-N 450.158 4.611 50 10 JJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 1991353674 SMOAYRMIQBAGAV-HOTGVXAUSA-N 463.710 4.516 50 10 JJGE Cc1cc(Cn2nc(CBr)c(I)c2C(F)(F)F)ccc1F 2079240611 JBMZVFFCBRDNOH-UHFFFAOYSA-N 477.037 4.897 50 10 JJGE COc1cccc(C)c1-n1nc(CBr)c(I)c1C(F)(F)F 2079260613 IZAWCTHTLQZOFO-UHFFFAOYSA-N 475.046 4.708 50 10 JJGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1CC1(CBr)CCOCC1 2106707802 SCYYLYJBLQGEOS-LEWJYISDSA-N 467.448 4.690 50 10 JJGE O=C(N[C@@H]1CCC[C@H]1CCCl)c1ccc(Br)cc1I 2142280173 ZZBITHVYWGFTOB-TVQRCGJNSA-N 456.549 4.581 50 10 JJGE CCCN1CCC[C@H]([C@H](Cl)c2cc(Br)sc2Br)S1(=O)=O 2145775581 HGDBFEKCVHHWQQ-MWLCHTKSSA-N 465.660 4.757 50 10 JJGE Cc1cccc(C(=O)N2C[C@@](C)(CBr)CC2(C)C)c1I 2199543044 XTXHYTGCQBMEIP-MRXNPFEDSA-N 450.158 4.625 50 10 JJGE C[C@]1(CBr)C=CCCN1C(=O)c1ccc(I)c(Br)c1 2264382977 LUPYBKCPKUFDEA-CQSZACIVSA-N 498.984 4.609 50 10 JJGE C[C@@]1(CNC(=O)c2ccc(Br)cc2Br)CCC[C@H]1Br 2271298696 RTCXTPAZOQLQRY-OCCSQVGLSA-N 454.000 4.895 50 10 JJGE CCC[C@@H](CCBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277935662 QJCWRNVXIBRVOO-ZDUSSCGKSA-N 456.016 4.824 50 10 JJGE CN(Cc1ccccc1I)c1nc2sccn2c1CBr 2280259268 XFTPCXZUJMVZQK-UHFFFAOYSA-N 462.154 4.532 50 10 JJGE COc1ccc(C=CC(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 2313613935 JNGCDYHNCGJTHT-UHFFFAOYSA-N 471.557 4.719 50 10 JJGE Cc1ccc(Cn2cccc(C(=O)NN=Cc3ccc(OCc4ccccc4)cc3)c2=O)cc1 2323647525 SPBSGEANZWTJMA-UHFFFAOYSA-N 451.526 4.548 50 10 JJGE CS(=O)(=O)c1csc([C@@H](Br)c2ccc(Cl)cc2I)c1 2340066216 PLCSCSMDIICRGH-LBPRGKRZSA-N 491.597 4.894 50 10 JJGE Clc1ccc(COCC2(CBr)CCOCC2)c(I)c1 2340092488 HUSMSYHOFQBLQW-UHFFFAOYSA-N 459.549 4.653 50 10 JJGE O=C(NC[C@]12CCC[C@]1(CBr)C2)c1ccc(Cl)cc1I 2365591038 DSNMLUDLZKTDDW-HUUCEWRRSA-N 468.560 4.630 50 10 JJGE CC12CC(C1)[C@H](CO[C@@H](CI)c1cccc(Br)c1)CO2 2365846346 XMVSHYRPHKDXBH-QSTLKDOJSA-N 451.142 4.757 50 10 JJGE